comparison test-data/createMSP_output_scans_all.msp @ 11:a90832e6acb2 draft

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit bbbcc75d51c020446fd00d76f908a6250266cfea

10:1ce857d74106

RECORD_TITLE:  MZ:112.0507 | RT:67.5 | grpid:12 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 112.050704956055
AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
112.050888061523	440629.6875	100

RECORD_TITLE:  MZ:112.0507 | RT:67.6 | grpid:12 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 112.050743103027
AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
112.050880432129	565117.25	100
126.53768157959	2499.31469726562	0.44

RECORD_TITLE:  MZ:113.0347 | RT:83.4 | grpid:14 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 113.034736633301
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 14
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
113.034782409668	13262784	100

RECORD_TITLE:  MZ:113.0347 | RT:83.6 | grpid:14 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 113.034736633301
AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
XCMS groupid (grpid): 14
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
112.999992370605	67035.0703125	0.84
113.034805297852	7964904.5	100

RECORD_TITLE:  MZ:113.0347 | RT:83.6 | grpid:14 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 113.034713745117
AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
XCMS groupid (grpid): 14
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
111.010963439941	2912.13012695312	1.32
113.000129699707	40987.0078125	18.63
113.008010864258	31639.541015625	14.38

113.070793151855	3284.5654296875	1.49
113.107765197754	7978.56494140625	3.63
122.0078125	3665.08813476562	1.67
133.994140625	1813.58288574219	0.82

RECORD_TITLE:  MZ:116.0708 | RT:47.7 | grpid:17 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070838928223
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
116.016784667969	3725.93701171875	3.82
116.070854187012	97631.5859375	100
116.107086181641	3945.32666015625	4.04

RECORD_TITLE:  MZ:116.0708 | RT:47.7 | grpid:17 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070831298828
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
103.129020690918	4419.71240234375	0.25
116.016410827637	5682.14404296875	0.32
116.070899963379	1782171	100
130.027648925781	4081.13793945312	0.23

RECORD_TITLE:  MZ:116.0708 | RT:47.7 | grpid:17 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070770263672
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
116.016830444336	14364.7841796875	9.61
116.070922851562	149471.265625	100
116.107421875	8359.9033203125	5.59

RECORD_TITLE:  MZ:116.0708 | RT:47.8 | grpid:17 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070816040039
AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
107.270111083984	1726.61291503906	1.71
116.016410827637	2890.4951171875	2.87
116.070892333984	100876.1328125	100
116.107200622559	2424.61303710938	2.4

RECORD_TITLE:  MZ:116.0708 | RT:47.8 | grpid:17 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070823669434
AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
116.070892333984	1847702.625	100

RECORD_TITLE:  MZ:116.0708 | RT:47.8 | grpid:17 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070785522461
AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
116.016609191895	4434.369140625	2.68
116.070899963379	165623.640625	100
116.107322692871	11372.48828125	6.87

RECORD_TITLE:  MZ:132.1018 | RT:73.5 | grpid:41 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101821899414
AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
117.877166748047	5004.6640625	1.83
132.101867675781	273406.25	100

RECORD_TITLE:  MZ:132.1019 | RT:73.5 | grpid:41 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101867675781
AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
130.186950683594	121726.4453125	3.06
132.102035522461	3973065.5	100

RECORD_TITLE:  MZ:132.1019 | RT:73.5 | grpid:41 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101852416992
AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
132.102142333984	77799.46875	100

RECORD_TITLE:  MZ:132.1019 | RT:73.7 | grpid:41 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101852416992
AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
132.101989746094	402822.6875	100
144.278900146484	7715.68994140625	1.92
146.682891845703	7014.509765625	1.74

RECORD_TITLE:  MZ:132.1018 | RT:73.7 | grpid:41 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101806640625
AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
104.964813232422	111113.6796875	3.34
132.102066040039	3328366.75	100

RECORD_TITLE:  MZ:132.1019 | RT:73.7 | grpid:41 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 132.10188293457
AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
115.43724822998	2424.57958984375	3.61
132.102035522461	67118.03125	100

RECORD_TITLE:  MZ:137.0457 | RT:127 | grpid:47 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 137.045669555664
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 47
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
110.03524017334	25444.263671875	4.06
112.051010131836	2055.68725585938	0.33
119.035636901855	19219.568359375	3.07
127.993309020996	1960.09631347656	0.31
136.124038696289	2269.25805664062	0.36
137.045867919922	626313	100
154.112442016602	2006.76232910156	0.32

RECORD_TITLE:  MZ:137.0456 | RT:127 | grpid:47 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 137.045639038086
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 47
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
104.860054016113	30638.400390625	0.09
110.028198242188	67928.296875	0.21
110.035293579102	1441146.625	4.36

119.035423278809	1085099.625	3.28
128.045852661133	75962.28125	0.23
137.045822143555	33090892	100
138.030548095703	43127.65234375	0.13

RECORD_TITLE:  MZ:137.0457 | RT:127.2 | grpid:47 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 137.045669555664
AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454
XCMS groupid (grpid): 47
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
109.06566619873	2550.77392578125	0.31
110.035385131836	39166.78515625	4.69
112.050643920898	2451.17553710938	0.29
119.035369873047	30733.126953125	3.68
137.045852661133	835163	100
138.029312133789	2125.6455078125	0.25
159.283874511719	2343.61376953125	0.28

RECORD_TITLE:  MZ:137.0456 | RT:127.2 | grpid:47 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 137.045623779297
AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454
XCMS groupid (grpid): 47
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
110.035171508789	541516.5625	4.44
112.050842285156	21607.146484375	0.18
119.020355224609	16488.48828125	0.14
119.035461425781	370753.6875	3.04
128.04508972168	18434.0234375	0.15
137.045776367188	12204322	100

RECORD_TITLE:  MZ:138.0548 | RT:50.7 | grpid:48 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054763793945
AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
110.06037902832	154849	5.48
110.07154083252	10831.705078125	0.38
112.638984680176	2110.72314453125	0.07

138.054885864258	2827643.5	100
142.371643066406	2126.2236328125	0.08
149.295120239258	2391.84985351562	0.08
154.050003051758	4839.1943359375	0.17

RECORD_TITLE:  MZ:138.0549 | RT:50.7 | grpid:48 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 138.05485534668
AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
110.060394287109	809952.625	6.12
110.07243347168	14605.1689453125	0.11
133.07551574707	8368.701171875	0.06
138.054916381836	13243313	100
154.049591064453	40592.00390625	0.31

RECORD_TITLE:  MZ:138.0547 | RT:50.7 | grpid:48 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054748535156
AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
104.561706542969	2237.48193359375	0.8
105.649337768555	1918.06628417969	0.69
110.060264587402	14235.369140625	5.1

140.059799194336	278945.53125	100
140.068283081055	34274.2890625	12.29
151.918930053711	2187.79418945312	0.78
154.676849365234	1895.96264648438	0.68

RECORD_TITLE:  MZ:138.0548 | RT:50.7 | grpid:48 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312
AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
110.060348510742	36283.7578125	6.69
110.07194519043	2731.20166015625	0.5
138.018905639648	16821.951171875	3.1
138.055023193359	542459.3125	100

RECORD_TITLE:  MZ:138.0548 | RT:50.8 | grpid:48 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312
AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
110.060409545898	151747.359375	6.55
110.071807861328	12626.90234375	0.54
128.93376159668	2266.6416015625	0.1
136.491333007812	2493.95458984375	0.11
138.054901123047	2317689.75	100
154.049453735352	5643.62890625	0.24
159.010818481445	2415.3876953125	0.1

RECORD_TITLE:  MZ:138.0548 | RT:50.8 | grpid:48 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312
AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
110.060356140137	460011.53125	6.05
133.075698852539	4484.33251953125	0.06
138.054885864258	7605866.5	100
154.049728393555	24022.63671875	0.32

RECORD_TITLE:  MZ:138.0548 | RT:50.8 | grpid:48 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054824829102
AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
110.060348510742	4069.12109375	5.01
122.04337310791	4113.560546875	5.07
122.060043334961	10164.9873046875	12.53

140.059844970703	81146.265625	100
140.068984985352	20009.826171875	24.66
140.080047607422	3898.39721679688	4.8
140.11799621582	2213.65893554688	2.73

RECORD_TITLE:  MZ:138.0548 | RT:50.8 | grpid:48 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054779052734
AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
107.285202026367	2362.6787109375	0.64
110.060592651367	32966.80859375	8.97
110.071556091309	3176.22973632812	0.86
138.017440795898	19174.861328125	5.22
138.05500793457	367633.15625	100
147.150115966797	2258.70825195312	0.61
154.634841918945	2410.57446289062	0.66

RECORD_TITLE:  MZ:138.0488 | RT:127 | grpid:49 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 138.048767089844
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 49
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
110.035133361816	4197.11962890625	1.03
111.032066345215	2933.20043945312	0.72
111.03865814209	19436.671875	4.75
120.031585693359	3442.69409179688	0.84
120.038940429688	10890.13671875	2.66
131.267166137695	2650.74243164062	0.65
138.049896240234	408864.25	100

RECORD_TITLE:  MZ:138.0488 | RT:126.4 | grpid:49 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 138.048797607422
AC$CHROMATOGRAPHY: RETENTION_TIME 126.441198
XCMS groupid (grpid): 49
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
111.032066345215	4279.24560546875	0.77
111.038848876953	24677.09765625	4.42
120.038902282715	18950.03125	3.39
137.396865844727	3584.59228515625	0.64
138.05012512207	558628.8125	100

RECORD_TITLE:  MZ:140.0681 | RT:46.2 | grpid:51 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 140.068130493164
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 51
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
108.959754943848	2408.8056640625	0.09
114.089195251465	280537.40625	10.59
140.068115234375	2649786.75	100
143.032638549805	2735.88037109375	0.1

RECORD_TITLE:  MZ:140.0681 | RT:46.3 | grpid:51 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 140.068084716797
AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
XCMS groupid (grpid): 51
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
114.089164733887	856653.625	10.81
140.068130493164	7923872	100

RECORD_TITLE:  MZ:146.1175 | RT:46.2 | grpid:62 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 146.117492675781
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 62
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
101.070411682129	2306.69653320312	0.18
102.055847167969	2466.92114257812	0.19
118.065521240234	11230.220703125	0.86

130.049835205078	43469.9453125	3.31
130.086441040039	3820.66918945312	0.29
146.117553710938	1311766.875	100
147.075866699219	2905.49487304688	0.22

RECORD_TITLE:  MZ:146.1173 | RT:46.2 | grpid:62 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 146.117309570312
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 62
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
100.021820068359	11993.6435546875	1.11
108.055770874023	9930.2236328125	0.92
118.06534576416	13944.4609375	1.3

146.028610229492	10309.349609375	0.96
146.059936523438	9525.1728515625	0.89
146.117538452148	1075921.125	100
150.785629272461	2500.5302734375	0.23

RECORD_TITLE:  MZ:146.1174 | RT:46.3 | grpid:62 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 146.117416381836
AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
XCMS groupid (grpid): 62
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
108.055931091309	22471.4453125	0.13
112.465751647949	20960.951171875	0.12
128.070281982422	32862.80078125	0.19
144.766357421875	23252.271484375	0.13
146.117492675781	17260586	100

RECORD_TITLE:  MZ:146.1174 | RT:46.3 | grpid:62 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 146.117370605469
AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
XCMS groupid (grpid): 62
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
100.021903991699	25367.83984375	9.16
108.055641174316	3113.50927734375	1.12
114.566963195801	2266.10009765625	0.82

130.049789428711	2536.23486328125	0.92
146.028137207031	3722.75390625	1.34
146.059906005859	12109.3056640625	4.37
146.117568969727	277069.8125	100

RECORD_TITLE:  MZ:147.0438 | RT:70.5 | grpid:63 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 147.043823242188
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 63
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
101.071250915527	3223.7529296875	0.09
102.047164916992	3041.80541992188	0.09
102.05525970459	4850.5537109375	0.14

130.086273193359	109294.3984375	3.22
147.043960571289	952724	28.03
147.112701416016	13311.6767578125	0.39
160.07568359375	11708.4287109375	0.34

RECORD_TITLE:  MZ:147.0439 | RT:70.5 | grpid:63 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 147.043853759766
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 63
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
101.071273803711	4550.1181640625	0.14
103.048835754395	5009.00244140625	0.15
103.054618835449	202457.375	6.18

136.545654296875	2581.0390625	0.08
147.043960571289	978799.1875	29.86
147.112838745117	14170.591796875	0.43
160.075088500977	3768.91259765625	0.11

RECORD_TITLE:  MZ:147.0438 | RT:70.6 | grpid:63 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 147.043838500977
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 63
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
101.071350097656	3549.74267578125	0.12
103.054641723633	188622.484375	6.21
112.236755371094	2519.7568359375	0.08

147.079299926758	12881.609375	0.42
147.112747192383	5908.45263671875	0.19
152.669158935547	2885.892578125	0.1
160.076049804688	3953.13061523438	0.13

RECORD_TITLE:  MZ:147.0438 | RT:70.6 | grpid:63 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 147.043838500977
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 63
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
101.07152557373	2745.65698242188	0.08
102.055274963379	3918.08203125	0.12
103.054626464844	219682.390625	6.53

147.043991088867	928020.625	27.6
147.080383300781	14796.041015625	0.44
147.1123046875	5472.1298828125	0.16
160.076309204102	3128.19555664062	0.09

RECORD_TITLE:  MZ:148.0426 | RT:64.4 | grpid:66 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 148.042587280273
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 66
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
102.001251220703	418360.65625	27.27
102.037628173828	26940.125	1.76
102.055305480957	31787.623046875	2.07

133.019241333008	31002.017578125	2.02
134.02668762207	3603.13940429688	0.23
148.042633056641	1333085.75	86.9
160.701766967773	2493.13793945312	0.16

RECORD_TITLE:  MZ:148.0426 | RT:64.6 | grpid:66 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 148.042556762695
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 66
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
102.00122833252	571447.9375	28.8
102.037757873535	37633.34765625	1.9
102.055305480957	19940.044921875	1.01

133.019287109375	34545.609375	1.74
134.027465820312	5199.03125	0.26
148.042617797852	1724357.375	86.91
157.48600769043	2885.98486328125	0.15

RECORD_TITLE:  MZ:149.0263 | RT:91.2 | grpid:67 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 149.026306152344
AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956
XCMS groupid (grpid): 67
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
104.016586303711	38437.609375	1.57
109.031661987305	21351.47265625	0.87
111.011131286621	2452703.75	100

149.026306152344	1669850.25	68.08
152.037475585938	25918.962890625	1.06
153.007186889648	12562.2216796875	0.51
158.012786865234	17251.59375	0.7

RECORD_TITLE:  MZ:149.0263 | RT:91.4 | grpid:67 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 149.026321411133
AC$CHROMATOGRAPHY: RETENTION_TIME 91.376562
XCMS groupid (grpid): 67
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
104.0166015625	32986.94921875	1.39
109.032051086426	26353.259765625	1.11
110.097152709961	2624.76928710938	0.11

149.026336669922	1653409.625	69.53
152.037338256836	21732.1015625	0.91
153.007202148438	10810.724609375	0.45
158.012619018555	19154.71875	0.81

RECORD_TITLE:  MZ:150.0582 | RT:62.9 | grpid:68 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 150.058166503906
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 68
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
101.579109191895	20766.212890625	0.15
102.055404663086	4154222.25	29.71
104.053276062012	13982832	100

133.031875610352	9440187	67.51
150.038681030273	92384.0703125	0.66
150.058349609375	1694299.125	12.12
155.097625732422	22783.2734375	0.16

RECORD_TITLE:  MZ:150.0581 | RT:62.9 | grpid:68 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 150.058135986328
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 68
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
102.055458068848	51413.23828125	32.64
103.99649810791	3555.7119140625	2.26
104.053283691406	157500.5625	100

150.057998657227	17616.544921875	11.19
150.09162902832	3476.15454101562	2.21
150.112930297852	3834.1953125	2.43
150.127395629883	4024.62670898438	2.56

RECORD_TITLE:  MZ:150.0581 | RT:63.1 | grpid:68 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 150.058135986328
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 68
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
102.055381774902	4631614.5	28.68
104.053237915039	16147574	100
105.000915527344	196574.15625	1.22
105.03719329834	273244.0625	1.69
133.031829833984	10814390	66.97
137.41633605957	30549.828125	0.19
150.058288574219	1973325.5	12.22

RECORD_TITLE:  MZ:150.0581 | RT:63.1 | grpid:68 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 150.05810546875
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 68
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
102.055404663086	43694.5078125	32.97
103.997314453125	2148.16162109375	1.62
104.05322265625	132526.8125	100

150.057830810547	14816.9990234375	11.18
150.090744018555	4340.6669921875	3.28
150.112060546875	5071.3125	3.83
150.128646850586	2830.20849609375	2.14

RECORD_TITLE:  MZ:153.0405 | RT:84.2 | grpid:72 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 153.040512084961
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
108.01936340332	17292.517578125	0.21
110.035232543945	2303313	28.45
121.812217712402	11519.919921875	0.14

136.01416015625	3711513	45.84
153.040679931641	8097173.5	100
154.024642944336	3409293.75	42.1
168.04069519043	26535.353515625	0.33

RECORD_TITLE:  MZ:153.0403 | RT:84.2 | grpid:72 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 153.040344238281
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
100.120269775391	2219.037109375	0.27
107.085754394531	12394.3017578125	1.52
108.443885803223	2329.408203125	0.29

153.090744018555	15144.04296875	1.85
153.127243041992	12641.9697265625	1.55
154.02473449707	408579.875	49.99
158.011642456055	3504.88745117188	0.43

RECORD_TITLE:  MZ:153.0405 | RT:84.4 | grpid:72 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 153.040512084961
AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
108.019828796387	20524.515625	0.24
110.035209655762	2289391.25	27.32
112.017875671387	11479.5869140625	0.14

153.040664672852	8379958	100
154.024627685547	3294023.75	39.31
168.039398193359	17989.896484375	0.21
168.052719116211	10959.2880859375	0.13

RECORD_TITLE:  MZ:153.0404 | RT:84.4 | grpid:72 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 153.04035949707
AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
107.049018859863	2999.64233398438	0.2
107.085746765137	4260.4228515625	0.29
108.01944732666	4910.62548828125	0.34

153.090713500977	17066.05078125	1.16
153.127578735352	17128.626953125	1.17
154.024673461914	665563	45.41
165.999542236328	3401.4443359375	0.23

RECORD_TITLE:  MZ:153.0406 | RT:84.4 | grpid:72 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 153.040557861328
AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
107.085655212402	9505.548828125	0.42
108.019424438477	4591.0361328125	0.2
109.101692199707	3338.82177734375	0.15

152.571792602539	2826.95971679688	0.12
153.04069519043	2264089.75	100
153.127258300781	6322.94384765625	0.28
154.024642944336	1115687.625	49.28

RECORD_TITLE:  MZ:156.0767 | RT:47.7 | grpid:75 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
110.07160949707	359536.25	22.82
111.068382263184	255573.8125	16.22
111.074981689453	1575368.5	100

131.066284179688	24558.26171875	1.56
139.111953735352	3450.27368164062	0.22
157.045669555664	163497.828125	10.38
157.080718994141	271646.8125	17.24

RECORD_TITLE:  MZ:156.0767 | RT:47.7 | grpid:75 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
110.071533203125	31565072	100
111.05542755127	171552.796875	0.54
112.052299499512	48860.02734375	0.15

138.065444946289	38444.44140625	0.12
139.050430297852	42066.9921875	0.13
156.042053222656	2798386.5	8.87
156.076690673828	4465763	14.15

RECORD_TITLE:  MZ:156.0766 | RT:47.7 | grpid:75 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076614379883
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
110.071617126465	103266.5625	22.61
111.068412780762	74264.7734375	16.26
111.074989318848	456690.28125	100

157.080810546875	81711.703125	17.89
157.095642089844	4108.2177734375	0.9
157.09797668457	3605.6943359375	0.79
164.743133544922	2175.7744140625	0.48

RECORD_TITLE:  MZ:156.0766 | RT:47.7 | grpid:75 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076599121094
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
105.050170898438	2555.24609375	1.03
108.688468933105	2078.55712890625	0.83
109.076301574707	5360.916015625	2.15

157.061416625977	2445.43505859375	0.98
157.080352783203	47631.3203125	19.12
157.097396850586	13967.23046875	5.61
174.818969726562	2215.97583007812	0.89

RECORD_TITLE:  MZ:156.0767 | RT:48.6 | grpid:75 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076690673828
AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
110.071617126465	361957.15625	21.9
111.068450927734	254450.640625	15.39
111.074996948242	1653108.625	100

131.066818237305	17443.58203125	1.06
157.027359008789	2748.53442382812	0.17
157.045822143555	162176.234375	9.81
157.080718994141	300890.78125	18.2

RECORD_TITLE:  MZ:156.0767 | RT:48.6 | grpid:75 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039
AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
110.071563720703	33750932	100
111.055366516113	157039.265625	0.47
112.052490234375	30169.251953125	0.09

138.065872192383	63303.015625	0.19
139.049819946289	71545.4921875	0.21
156.042083740234	2323007.5	6.88
156.076721191406	4835160	14.33

RECORD_TITLE:  MZ:156.0766 | RT:48.6 | grpid:75 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076644897461
AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
110.071655273438	108305.28125	21.97
111.068428039551	76372.7890625	15.49
111.075019836426	493008.875	100

157.044326782227	3592.15795898438	0.73
157.08088684082	79274.4609375	16.08
157.120971679688	2555.38037109375	0.52
163.923477172852	2484.58447265625	0.5

RECORD_TITLE:  MZ:156.0766 | RT:48.6 | grpid:75 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076553344727
AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
107.847686767578	2009.65563964844	0.82
109.076316833496	5142.29443359375	2.1
109.354393005371	2353.12231445312	0.96

157.061660766602	2687.189453125	1.1
157.080337524414	41752.5234375	17.06
157.097229003906	13970.564453125	5.71
175.968795776367	2350.83203125	0.96

RECORD_TITLE:  MZ:158.0924 | RT:43.9 | grpid:77 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 158.092361450195
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 77
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.091850280762	34783.19921875	10.7
107.244758605957	2121.91967773438	0.65
110.07160949707	3791.80151367188	1.17

141.065841674805	12014.9599609375	3.69
158.092422485352	325199.53125	100
158.153823852539	69871.78125	21.49
159.077056884766	3031.5615234375	0.93

RECORD_TITLE:  MZ:158.0924 | RT:44.1 | grpid:77 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 158.092376708984
AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488
XCMS groupid (grpid): 77
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
102.091728210449	38012.30078125	14
110.071365356445	5420.17724609375	2
112.079177856445	4014.5673828125	1.48

158.154037475586	81701.859375	30.1
158.583435058594	2426.4375	0.89
159.076904296875	3193.85131835938	1.18
159.090621948242	2369.67138671875	0.87

RECORD_TITLE:  MZ:164.9301 | RT:40.2 | grpid:88 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 164.930053710938
AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702
XCMS groupid (grpid): 88
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
113.554153442383	2184.888671875	0.2
164.930191040039	1087757.25	100
165.09033203125	2780.28442382812	0.26

RECORD_TITLE:  MZ:164.9301 | RT:40.3 | grpid:88 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 164.930099487305
AC$CHROMATOGRAPHY: RETENTION_TIME 40.331784
XCMS groupid (grpid): 88
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
140.266235351562	2726.23486328125	0.26
164.930282592773	1068471.625	100

RECORD_TITLE:  MZ:165.0545 | RT:70.5 | grpid:89 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 165.054473876953
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 89
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
103.047622680664	7486.65576171875	0.14
103.054641723633	223038.375	4.22
105.044769287109	26794.7265625	0.51

137.05973815918	109032.796875	2.06
147.043975830078	1008241.625	19.07
164.070602416992	15849.2646484375	0.3
165.054550170898	263223.46875	4.98

RECORD_TITLE:  MZ:165.0544 | RT:70.5 | grpid:89 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 165.054412841797
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 89
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
103.054786682129	27086.0703125	3.95
109.065139770508	18075.359375	2.63
110.195671081543	2245.8408203125	0.33

137.0966796875	2327.9169921875	0.34
147.044006347656	127812.8203125	18.62
165.054626464844	38177.86328125	5.56
165.091033935547	3725.4970703125	0.54

RECORD_TITLE:  MZ:165.0545 | RT:70.6 | grpid:89 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 165.054458618164
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 89
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
100.539291381836	3935.75927734375	0.04
103.054618835449	417247.46875	4.08
105.044906616211	40683.4765625	0.4

147.043930053711	1982656.25	19.4
160.074890136719	7089.93896484375	0.07
164.070022583008	30664.130859375	0.3
165.054534912109	567130.625	5.55

RECORD_TITLE:  MZ:170.0923 | RT:61.4 | grpid:97 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092300415039
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
107.060882568359	13947.8642578125	0.27
109.076377868652	875055.4375	16.84
111.044410705566	4904.21484375	0.09

153.074935913086	12192.38671875	0.23
167.822860717773	2906.9189453125	0.06
170.092407226562	1208969.5	23.27
180.280914306641	3006.041015625	0.06

RECORD_TITLE:  MZ:170.0922 | RT:61.4 | grpid:97 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092178344727
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
107.060668945312	16450.158203125	0.28
109.076354980469	971361	16.31
121.661956787109	4326.87255859375	0.07

152.0810546875	13190.3134765625	0.22
153.064743041992	9025.560546875	0.15
153.075302124023	6579.4365234375	0.11
170.092330932617	1301886.75	21.86

RECORD_TITLE:  MZ:170.0922 | RT:61.4 | grpid:97 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092163085938
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
105.145324707031	2245.89477539062	0.1
105.334617614746	2476.71166992188	0.11
107.060562133789	4008.23803710938	0.18

161.57975769043	2614.66870117188	0.12
170.092407226562	508832.28125	23.3
176.97477722168	2473.40576171875	0.11
182.148513793945	2651.91015625	0.12

RECORD_TITLE:  MZ:170.0922 | RT:61.5 | grpid:97 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092239379883
AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
107.060768127441	15373.5869140625	0.24
109.076347351074	1060502.625	16.79
110.060234069824	4025.34326171875	0.06

170.092315673828	1509572.625	23.9
172.105773925781	3184.48876953125	0.05
175.105651855469	2735.99536132812	0.04
184.918167114258	2798.25317382812	0.04

RECORD_TITLE:  MZ:170.0922 | RT:61.5 | grpid:97 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092193603516
AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
107.060707092285	18156.0234375	0.31
109.07633972168	978256.6875	16.52
124.087051391602	5920406.5	100

153.065353393555	16031.298828125	0.27
161.486694335938	3798.95678710938	0.06
164.813598632812	4068.50659179688	0.07
170.092330932617	1292886.25	21.84

RECORD_TITLE:  MZ:170.0922 | RT:61.5 | grpid:97 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092163085938
AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
101.621025085449	2269.9384765625	0.09
107.060638427734	3229.0859375	0.13
109.076332092285	417766.28125	16.91

152.081909179688	4845.8095703125	0.2
153.064727783203	4441.82763671875	0.18
163.20768737793	2920.42114257812	0.12
170.092361450195	564725.8125	22.85

RECORD_TITLE:  MZ:178.0585 | RT:45.4 | grpid:106 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 178.058502197266
AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
XCMS groupid (grpid): 106
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
105.042701721191	18699.494140625	1.23
132.053298950195	6451.77587890625	0.42
133.037292480469	317993.375	20.91

139.946014404297	3551.38818359375	0.23
160.047637939453	14908.2802734375	0.98
161.032012939453	5340.20654296875	0.35
178.058624267578	1521016.25	100

RECORD_TITLE:  MZ:178.0585 | RT:45.5 | grpid:106 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 178.058502197266
AC$CHROMATOGRAPHY: RETENTION_TIME 45.5280288
XCMS groupid (grpid): 106
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
105.042724609375	14917.9775390625	0.99
119.994201660156	3506.71118164062	0.23
133.037322998047	331483.9375	22.1

160.048583984375	23262.9453125	1.55
161.032791137695	5786.8955078125	0.39
178.058654785156	1500183.125	100
182.990447998047	3695.43188476562	0.25

RECORD_TITLE:  MZ:182.0809 | RT:70.5 | grpid:114 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 182.080947875977
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
103.054595947266	103726.984375	1.11
107.049354553223	97268.375	1.04
108.08130645752	17050.2421875	0.18

147.043884277344	1583597.75	16.96
164.071044921875	14618.810546875	0.16
165.054504394531	3043035.5	32.59
182.081039428711	308739.4375	3.31

RECORD_TITLE:  MZ:182.081 | RT:70.5 | grpid:114 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 182.080978393555
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
100.320121765137	9264.521484375	0.14
103.054878234863	74545.140625	1.15
107.049629211426	51817.8359375	0.8

165.054626464844	2178420.75	33.66
171.065704345703	10540.208984375	0.16
182.080993652344	193054.875	2.98
203.00358581543	10252.1640625	0.16

RECORD_TITLE:  MZ:182.081 | RT:70.5 | grpid:114 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 182.081024169922
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
113.060180664062	9484.7177734375	3.56
124.075897216797	266098.90625	100
124.999954223633	104344.8125	39.21

166.086441040039	27530.96875	10.35
167.060256958008	2652.03051757812	1
184.073364257812	148342.21875	55.75
184.096908569336	155832.015625	58.56

RECORD_TITLE:  MZ:182.081 | RT:70.6 | grpid:114 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 182.081039428711
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
103.054618835449	198073.015625	1.2
107.049377441406	148026.125	0.9
108.081100463867	17804.21484375	0.11

147.0439453125	2737939.75	16.62
164.070251464844	15925.1796875	0.1
165.054565429688	5599976	34
182.081069946289	506954.8125	3.08

RECORD_TITLE:  MZ:182.081 | RT:70.6 | grpid:114 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 182.080963134766
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
103.054634094238	77368.390625	1.14
107.049468994141	44136.1640625	0.65
109.065040588379	64803.7421875	0.95

164.658981323242	10550.29296875	0.15
165.054611206055	2230434.5	32.74
182.0810546875	217155.296875	3.19
186.324645996094	11166.697265625	0.16

RECORD_TITLE:  MZ:182.081 | RT:70.6 | grpid:114 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 182.081008911133
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
104.10750579834	3364.56030273438	1.07
112.075828552246	2400.29663085938	0.77
113.059982299805	16064.193359375	5.13

184.073394775391	177200	56.54
184.097015380859	185418.65625	59.16
184.132873535156	5425.24560546875	1.73
187.940414428711	2508.79296875	0.8

RECORD_TITLE:  MZ:189.1232 | RT:49.2 | grpid:127 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 189.123199462891
AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402
XCMS groupid (grpid): 127
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
115.086784362793	8240.8359375	2.82
116.070785522461	66374.9765625	22.72
118.086532592773	292157.0625	100

172.108306884766	6683.4912109375	2.29
183.845306396484	3709.67822265625	1.27
189.123382568359	82376.6484375	28.2
189.135848999023	52375.484375	17.93

RECORD_TITLE:  MZ:189.1232 | RT:50.1 | grpid:127 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 189.12321472168
AC$CHROMATOGRAPHY: RETENTION_TIME 50.0837946
XCMS groupid (grpid): 127
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
115.08699798584	16498.677734375	14.45
116.070922851562	114139.1640625	100
118.086608886719	16398.6328125	14.37

189.122100830078	29789.7734375	26.1
189.136917114258	98533.8515625	86.33
189.159866333008	3757.07299804688	3.29
207.453216552734	2729.31713867188	2.39

RECORD_TITLE:  MZ:191.0402 | RT:41.7 | grpid:131 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 191.040237426758
AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
XCMS groupid (grpid): 131
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
120.065925598145	23138.59765625	3.5
128.386154174805	2485.62475585938	0.38
129.069854736328	2920.63305664062	0.44

173.029724121094	91503.421875	13.85
191.040328979492	525871.3125	79.61
191.076614379883	660586.1875	100
192.024291992188	2978.47924804688	0.45

RECORD_TITLE:  MZ:191.0402 | RT:41.7 | grpid:131 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 191.040237426758
AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
XCMS groupid (grpid): 131
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
102.055480957031	2989.11010742188	0.46
110.023178100586	4453.75390625	0.68
116.986175537109	3633.86962890625	0.56

156.448364257812	2624.12231445312	0.4
173.029830932617	100052.8125	15.37
191.040267944336	584111.625	89.74
191.076553344727	650886.125	100

RECORD_TITLE:  MZ:191.0402 | RT:41.7 | grpid:131 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 191.040191650391
AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
XCMS groupid (grpid): 131
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055397033691	6061.30029296875	0.19
111.853385925293	4386.8701171875	0.14
115.874839782715	4441.072265625	0.14

133.80451965332	5088.212890625	0.16
173.029708862305	610622	18.98
191.040267944336	3217774.75	100
191.076446533203	999525	31.06

RECORD_TITLE:  MZ:192.0687 | RT:121.8 | grpid:134 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 192.06867980957
AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
XCMS groupid (grpid): 134
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
102.055397033691	3442.68041992188	4.92
104.053359985352	70038.1953125	100
133.031921386719	29066.0625	41.5

150.05842590332	24492.08984375	34.97
171.473907470703	2700.43920898438	3.86
181.562118530273	2402.322265625	3.43
193.007995605469	2239.99389648438	3.2

RECORD_TITLE:  MZ:194.0325 | RT:45.4 | grpid:136 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 194.032531738281
AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
XCMS groupid (grpid): 136
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
103.315864562988	2078.95581054688	54.54
158.081451416016	3618.328125	94.92
194.032531738281	3812.11279296875	100

RECORD_TITLE:  MZ:194.0325 | RT:45.5 | grpid:136 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 194.032531738281
AC$CHROMATOGRAPHY: RETENTION_TIME 45.5280288
XCMS groupid (grpid): 136
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
125.504974365234	2372.77172851562	68.39
141.887588500977	2384.751953125	68.73
146.027267456055	2972.51196289062	85.68
158.080490112305	2836.72119140625	81.76
194.032562255859	3469.51000976562	100

RECORD_TITLE:  MZ:200.0405 | RT:43.9 | grpid:143 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 200.040481567383
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 143
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
117.042617797852	6342.0810546875	0.31
117.987678527832	68211.828125	3.37
127.032531738281	20582.015625	1.02

182.029312133789	6210.8779296875	0.31
183.013916015625	4510.1396484375	0.22
200.040573120117	2027070.25	100
207.421112060547	3210.24487304688	0.16

RECORD_TITLE:  MZ:200.0405 | RT:44.1 | grpid:143 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 200.040496826172
AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488
XCMS groupid (grpid): 143
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
112.010238647461	2995.43188476562	0.14
117.042633056641	5056.5439453125	0.24
117.987663269043	71179.4375	3.38

154.035140991211	12319.0732421875	0.58
182.029663085938	4039.810546875	0.19
183.013336181641	3542.32104492188	0.17
200.040573120117	2105842.25	100

RECORD_TITLE:  MZ:203.1388 | RT:72 | grpid:150 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 203.138809204102
AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
116.071075439453	28803.224609375	60.28
119.019195556641	2770.42236328125	5.8
125.07137298584	5385.11376953125	11.27

158.128875732422	15111.2236328125	31.63
161.096771240234	6781.66259765625	14.19
203.139312744141	47779.91796875	100
203.152862548828	19752.5390625	41.34

RECORD_TITLE:  MZ:203.1388 | RT:72 | grpid:150 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 203.13883972168
AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
116.071235656738	12503.8623046875	3.04
130.085556030273	6449.21875	1.57
132.101974487305	411630.5	100

203.111068725586	10820.138671875	2.63
203.120208740234	7331.47412109375	1.78
203.138000488281	101691.2578125	24.7
204.817932128906	6029.38134765625	1.46

RECORD_TITLE:  MZ:203.1389 | RT:72.2 | grpid:150 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 203.138854980469
AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
116.071044921875	37608.42578125	75.04
125.071907043457	3196.5478515625	6.38
133.09797668457	4579.9912109375	9.14

161.095993041992	11680.013671875	23.31
203.105590820312	6029.6064453125	12.03
203.135681152344	50118	100
203.152633666992	15789.306640625	31.5

RECORD_TITLE:  MZ:203.1388 | RT:72.2 | grpid:150 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 203.138793945312
AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
110.816787719727	6078.2109375	1.77
110.913383483887	5809.0341796875	1.69
116.07071685791	9309.0751953125	2.71

161.096633911133	10988.53515625	3.2
203.110626220703	8525.052734375	2.48
203.137939453125	117729.3359375	34.26
211.507141113281	6815.84912109375	1.98

RECORD_TITLE:  MZ:203.1389 | RT:72.2 | grpid:150 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 203.138854980469
AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
103.739540100098	2113.5478515625	3.41
116.07096862793	14099.0009765625	22.78
119.018844604492	3672.51025390625	5.93

161.095993041992	5141.3759765625	8.31
172.99494934082	2935.828125	4.74
203.152069091797	2885.97534179688	4.66
203.184020996094	3411.0810546875	5.51

RECORD_TITLE:  MZ:204.1228 | RT:56.8 | grpid:152 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 204.122802734375
AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
103.039390563965	2626.12426757812	0.95
106.385429382324	2630.47265625	0.96
109.029167175293	4650.36474609375	1.69

168.065872192383	5381.61962890625	1.95
204.106567382812	15382.0947265625	5.59
204.123031616211	275347.34375	100
204.139114379883	14696.998046875	5.34

RECORD_TITLE:  MZ:204.1228 | RT:56.8 | grpid:152 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 204.122817993164
AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
103.039367675781	21870.412109375	0.83
109.028549194336	4337.9482421875	0.17
116.070777893066	54983.8125	2.09

144.101837158203	389983.375	14.84
145.049468994141	1150196	43.76
186.09455871582	4524.0029296875	0.17
204.122924804688	2628368.75	100

RECORD_TITLE:  MZ:204.1228 | RT:56.8 | grpid:152 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 204.122848510742
AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
103.039352416992	4378.82373046875	0.71
117.07398223877	3667.59252929688	0.59
124.087196350098	21105.763671875	3.42

145.049530029297	242301.34375	39.28
156.445175170898	3308.63256835938	0.54
162.076110839844	5740.85400390625	0.93
204.122970581055	616905.6875	100

RECORD_TITLE:  MZ:204.1228 | RT:56.9 | grpid:152 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 204.122817993164
AC$CHROMATOGRAPHY: RETENTION_TIME 56.9384052
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
103.039604187012	44728.91015625	0.48
103.384941101074	28550.306640625	0.31
113.250282287598	26210.8046875	0.28

144.101928710938	1344056.125	14.39
145.049514770508	4096653.75	43.86
173.963897705078	26845.693359375	0.29
204.123001098633	9339472	100

RECORD_TITLE:  MZ:204.1229 | RT:56.9 | grpid:152 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 204.122863769531
AC$CHROMATOGRAPHY: RETENTION_TIME 56.9384052
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
101.024070739746	2549.65844726562	1.04
109.028610229492	9569.9111328125	3.9
110.023971557617	2709.85107421875	1.1

168.065170288086	16167.7177734375	6.59
186.075775146484	5275.0185546875	2.15
186.56770324707	2513.05346679688	1.02
204.122970581055	245349.390625	100

RECORD_TITLE:  MZ:207.0141 | RT:41.8 | grpid:158 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 207.014144897461
AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645
XCMS groupid (grpid): 158
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
102.055213928223	14664.9248046875	10.68
104.992233276367	2625.12451171875	1.91
120.00316619873	3167.53002929688	2.31

207.034118652344	5699.5263671875	4.15
207.052230834961	15843.6455078125	11.54
207.098617553711	2919.48852539062	2.13
207.174377441406	3961.92211914062	2.88

RECORD_TITLE:  MZ:214.0642 | RT:55.4 | grpid:172 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 214.064239501953
AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188
XCMS groupid (grpid): 172
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
100.022003173828	18210.814453125	0.48
112.021865844727	105520.359375	2.8
112.029098510742	4534.3564453125	0.12

170.074661254883	55442.0390625	1.47
197.064270019531	5371.8564453125	0.14
197.093124389648	3679.029296875	0.1
214.064468383789	307880.84375	8.16

RECORD_TITLE:  MZ:218.1385 | RT:89.6 | grpid:180 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 218.13850402832
AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
114.196754455566	2545.52612304688	48.44
115.673034667969	2175.73876953125	41.4
129.055801391602	2261.02172851562	43.02
132.102081298828	5255.5224609375	100
159.066177368164	2765.712890625	52.62
212.81819152832	2699.35546875	51.36
218.139175415039	3092.53271484375	58.84

RECORD_TITLE:  MZ:218.1385 | RT:89.6 | grpid:180 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 218.138473510742
AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
107.803031921387	3178.51293945312	0.64
118.970710754395	4064.91455078125	0.82
122.573120117188	3604.3974609375	0.73

159.065231323242	283091.5	57.4
161.370590209961	3884.79516601562	0.79
185.185729980469	3402.84643554688	0.69
218.138641357422	493206.28125	100

RECORD_TITLE:  MZ:218.1385 | RT:89.6 | grpid:180 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 218.138488769531
AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
102.753799438477	2581.81909179688	14.41
117.332885742188	2623.33911132812	14.64
121.065040588379	17920.083984375	100

159.066253662109	3710.74462890625	20.71
175.033752441406	2445.95654296875	13.65
201.022094726562	4046.00170898438	22.58
218.138198852539	8636.0166015625	48.19

RECORD_TITLE:  MZ:218.1384 | RT:89.8 | grpid:180 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 218.138366699219
AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
103.819732666016	2238.61181640625	20.27
111.044364929199	2661.66918945312	24.1
115.333137512207	2948.8173828125	26.71

173.128204345703	2997.58325195312	27.15
218.139312744141	3500.55224609375	31.7
228.109329223633	2880.83715820312	26.09
235.270477294922	2572.39428710938	23.3

RECORD_TITLE:  MZ:218.1385 | RT:89.8 | grpid:180 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 218.138458251953
AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
134.753372192383	3845.90234375	0.73
144.101928710938	78533.609375	14.94
159.065155029297	285395.5	54.31
175.136749267578	3432.48364257812	0.65
210.694976806641	3835.62744140625	0.73
218.07666015625	8092.6728515625	1.54
218.138702392578	525536.25	100

RECORD_TITLE:  MZ:218.1385 | RT:89.8 | grpid:180 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 218.13850402832
AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
104.22509765625	2301.33154296875	10.31
121.064811706543	22311.3984375	100
124.039810180664	3055.17749023438	13.69
129.054977416992	3811.71557617188	17.08
130.108779907227	2328.74780273438	10.44
218.138671875	14387.341796875	64.48
231.611038208008	2540.31982421875	11.39

RECORD_TITLE:  MZ:219.1337 | RT:84.2 | grpid:182 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 219.133682250977
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 182
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
117.065925598145	4331.37890625	0.21
119.085418701172	4587.7412109375	0.23
121.101333618164	5698.80517578125	0.28

202.754135131836	3789.76586914062	0.19
203.142944335938	95550.71875	4.72
219.133941650391	199327.734375	9.85
219.174087524414	297299.6875	14.7

RECORD_TITLE:  MZ:219.1337 | RT:83.6 | grpid:182 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 219.133697509766
AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
XCMS groupid (grpid): 182
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
105.063270568848	4203.001953125	0.18
110.096893310547	4522.54443359375	0.19
112.11270904541	5338.60205078125	0.23

203.142913818359	105523.640625	4.48
219.134048461914	212437.609375	9.01
219.174209594727	327119.375	13.88
222.249847412109	3721.74389648438	0.16

RECORD_TITLE:  MZ:227.1137 | RT:46.9 | grpid:199 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 227.113693237305
AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
XCMS groupid (grpid): 199
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
109.063865661621	3976.69848632812	0.08
110.071578979492	5157183.5	100
111.055458068848	18864.41796875	0.37

209.103057861328	75399.5703125	1.46
210.087188720703	912743.5625	17.7
224.923370361328	3780.64306640625	0.07
227.113647460938	218042	4.23

RECORD_TITLE:  MZ:227.1135 | RT:46.9 | grpid:199 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 227.113494873047
AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
XCMS groupid (grpid): 199
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
110.071594238281	3455085.75	100
111.055381774902	8208.2998046875	0.24
112.087005615234	30480.38671875	0.88

209.10546875	52783.671875	1.53
210.087188720703	606993.0625	17.57
227.097503662109	23334.078125	0.68
227.117202758789	104483.0078125	3.02

RECORD_TITLE:  MZ:227.1137 | RT:47.1 | grpid:199 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 227.113677978516
AC$CHROMATOGRAPHY: RETENTION_TIME 47.0589156
XCMS groupid (grpid): 199
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
109.063323974609	4221.65771484375	0.07
110.07154083252	5798238	100
111.055290222168	20111.91796875	0.35

198.087158203125	73449.0859375	1.27
209.103179931641	67038.6328125	1.16
210.087127685547	946560.0625	16.32
227.113571166992	237832.515625	4.1

RECORD_TITLE:  MZ:227.1135 | RT:47.1 | grpid:199 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 227.113540649414
AC$CHROMATOGRAPHY: RETENTION_TIME 47.0589156
XCMS groupid (grpid): 199
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
110.071632385254	4015777.25	100
112.087242126465	22876.357421875	0.57
116.062522888184	5434.8310546875	0.14

198.102767944336	5951.31640625	0.15
209.104507446289	41406.42578125	1.03
210.087265014648	682425.875	16.99
227.117202758789	149649.421875	3.73

RECORD_TITLE:  MZ:229.1545 | RT:110.4 | grpid:205 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469
AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
124.07585144043	3996.03637695312	1.8
132.102279663086	2883.22509765625	1.3
142.086273193359	59200.7578125	26.68
229.154678344727	221890.109375	100

RECORD_TITLE:  MZ:229.1544 | RT:110.4 | grpid:205 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154418945312
AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
113.684791564941	2837.75732421875	0.09
114.055213928223	88155.328125	2.91
114.091705322266	33237.31640625	1.1

163.416748046875	3224.02270507812	0.11
170.0810546875	53706.90625	1.77
183.11279296875	157506.125	5.2
229.154556274414	3026336.75	100

RECORD_TITLE:  MZ:229.1544 | RT:110.4 | grpid:205 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154434204102
AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
112.469497680664	3008.18212890625	0.15
114.055252075195	58211.37109375	2.92
114.091743469238	20295.462890625	1.02

170.081069946289	27404.93359375	1.38
183.112686157227	70423.03125	3.53
188.466903686523	2877.20971679688	0.14
229.154541015625	1992422	100

RECORD_TITLE:  MZ:229.1545 | RT:110.4 | grpid:205 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469
AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
108.366012573242	2389.92602539062	8.14
115.646865844727	2582.40161132812	8.8
228.946487426758	2862.51293945312	9.76
229.154830932617	29343.333984375	100

RECORD_TITLE:  MZ:229.1545 | RT:110.6 | grpid:205 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154495239258
AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
110.449501037598	2561.81323242188	1.06
114.05534362793	5061.34375	2.1
142.086364746094	54889.66015625	22.8

172.763061523438	2237.0029296875	0.93
174.426773071289	2692.06103515625	1.12
229.154678344727	240741.890625	100
229.234664916992	3307.47534179688	1.37

RECORD_TITLE:  MZ:229.1544 | RT:110.6 | grpid:205 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154403686523
AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
111.823776245117	3158.60302734375	0.08
114.05517578125	133561.359375	3.56
114.09156036377	56416.01171875	1.5

155.117919921875	16436.8359375	0.44
170.080856323242	60972.6015625	1.63
183.112701416016	201120.578125	5.36
229.154495239258	3749332.75	100

RECORD_TITLE:  MZ:229.1544 | RT:110.6 | grpid:205 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154434204102
AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
114.055229187012	60647.390625	2.82
114.091636657715	25895.21484375	1.21
116.070693969727	16604.19921875	0.77

183.112716674805	82691.453125	3.85
200.034515380859	3440.39624023438	0.16
211.416717529297	2697.9521484375	0.13
229.154586791992	2148494.25	100

RECORD_TITLE:  MZ:229.1545 | RT:110.6 | grpid:205 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469
AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
226.508209228516	2416.11083984375	10.15
229.154418945312	23813.91015625	100

RECORD_TITLE:  MZ:230.1385 | RT:116.8 | grpid:206 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 230.138534545898
AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
129.741027832031	2646.4072265625	4.45
142.085998535156	3789.9736328125	6.37
143.090148925781	6127.15771484375	10.3

171.065704345703	18404.42578125	30.94
181.609985351562	2270.83032226562	3.82
230.138336181641	16945.2265625	28.49
230.158309936523	59480.609375	100

RECORD_TITLE:  MZ:230.1384 | RT:116.8 | grpid:206 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 230.138412475586
AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
100.23999786377	2375.47680664062	3.67
134.948608398438	2629.12426757812	4.06
144.102401733398	5664.46728515625	8.75

230.074829101562	3314.45288085938	5.12
230.138198852539	64708.8984375	100
230.157638549805	8235.0732421875	12.73
252.623626708984	2589.5390625	4

RECORD_TITLE:  MZ:230.1385 | RT:117 | grpid:206 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 230.13850402832
AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
121.085006713867	2832.43310546875	4.35
142.08625793457	4096.91064453125	6.3
143.027862548828	2362.39404296875	3.63
143.089935302734	6177.53173828125	9.5
171.065704345703	9980.953125	15.34
230.138427734375	11488.73828125	17.66
230.157989501953	65046.7734375	100

RECORD_TITLE:  MZ:230.1384 | RT:117 | grpid:206 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 230.138442993164
AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
103.442092895508	2566.20703125	9.14
154.53678894043	2769.9482421875	9.87
171.06477355957	25066.97265625	89.31
199.904586791992	2728.13745117188	9.72
230.13835144043	28067.6171875	100

RECORD_TITLE:  MZ:230.1384 | RT:117 | grpid:206 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 230.138442993164
AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
118.637107849121	2638.11669921875	2.56
133.330627441406	2652.22534179688	2.57
139.023971557617	2837.33520507812	2.75

204.917419433594	2715.51708984375	2.64
230.046417236328	4664.95068359375	4.53
230.138137817383	103036.0625	100
230.155090332031	8631.9453125	8.38

RECORD_TITLE:  MZ:231.1699 | RT:130.8 | grpid:209 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 231.169937133789
AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
XCMS groupid (grpid): 209
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
111.466903686523	3197.19702148438	13.95
116.07112121582	3271.9736328125	14.27
118.086364746094	22924.626953125	100
132.357925415039	2541.77392578125	11.09
179.655456542969	2593.84716796875	11.31
185.16487121582	4451.75	19.42
231.170959472656	13349.1865234375	58.23

RECORD_TITLE:  MZ:231.1699 | RT:131.1 | grpid:209 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 231.169860839844
AC$CHROMATOGRAPHY: RETENTION_TIME 131.148558
XCMS groupid (grpid): 209
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
116.427024841309	2544.30590820312	8.85
118.086326599121	28757.314453125	100
134.190277099609	2779.22607421875	9.66
185.16487121582	11899.6162109375	41.38
231.170867919922	12690.720703125	44.13
242.216293334961	3109.39599609375	10.81

RECORD_TITLE:  MZ:233.1493 | RT:66.7 | grpid:214 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149276733398
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055320739746	46058.9453125	28.46
120.06568145752	161852.859375	100
130.049957275391	20183.56640625	12.47

215.138961791992	18780.240234375	11.6
220.911285400391	2972.72998046875	1.84
230.603881835938	2980.03857421875	1.84
233.149765014648	42429.27734375	26.21

RECORD_TITLE:  MZ:233.1492 | RT:66.7 | grpid:214 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149154663086
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
102.055374145508	86910.296875	28.65
120.065704345703	303368.0625	100
130.049865722656	77713.6015625	25.62

152.107040405273	6148.76708984375	2.03
187.143295288086	7237.05029296875	2.39
215.139175415039	48739.20703125	16.07
233.149841308594	30125.052734375	9.93

RECORD_TITLE:  MZ:233.1491 | RT:66.7 | grpid:214 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149139404297
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
101.071334838867	100605.4296875	17.83
113.071434020996	4531.82373046875	0.8
113.487442016602	3021.54858398438	0.54

215.139007568359	55979.66796875	9.92
227.10466003418	2925.60131835938	0.52
233.149459838867	93581.796875	16.58
233.250183105469	2942.49877929688	0.52

RECORD_TITLE:  MZ:233.1493 | RT:66.7 | grpid:214 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149337768555
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
101.071556091309	2493.814453125	7.69
124.502639770508	2984.603515625	9.2
128.410537719727	2174.90502929688	6.71

187.144561767578	15544.0390625	47.92
215.140716552734	3567.82348632812	11
233.149673461914	5084.97900390625	15.68
253.858108520508	2743.083984375	8.46

RECORD_TITLE:  MZ:233.1493 | RT:67.6 | grpid:214 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149291992188
AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
102.055397033691	51696.87890625	30.83
108.190528869629	2962.69165039062	1.77
119.28791809082	3011.89086914062	1.8

172.952362060547	7278.1767578125	4.34
187.143920898438	4654.2177734375	2.78
215.138793945312	25857.91796875	15.42
233.14973449707	36328.3828125	21.66

RECORD_TITLE:  MZ:233.1492 | RT:67.6 | grpid:214 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 233.14924621582
AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
102.055374145508	93276.1875	32.65
120.06575012207	285714.625	100
130.050003051758	69039.71875	24.16

206.64485168457	4463.98486328125	1.56
210.353286743164	5293.15966796875	1.85
215.139358520508	40721.81640625	14.25
233.149688720703	38054.04296875	13.32

RECORD_TITLE:  MZ:233.1492 | RT:67.6 | grpid:214 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149185180664
AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
101.071342468262	97423.7578125	16.65
102.055519104004	4149.83447265625	0.71
102.568023681641	2694.57568359375	0.46

215.139099121094	49366.75	8.44
226.9541015625	2955.89013671875	0.51
233.149444580078	86856.4140625	14.84
233.187530517578	3770.36254882812	0.64

RECORD_TITLE:  MZ:233.1492 | RT:67.6 | grpid:214 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 233.14924621582
AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
125.827949523926	2453.33764648438	9.08
132.101837158203	27032.3515625	100
133.954803466797	2418.62817382812	8.95
142.123184204102	2863.05541992188	10.59
187.144226074219	16553.251953125	61.23
233.150588989258	3492.63256835938	12.92
233.190063476562	2942.85205078125	10.89

RECORD_TITLE:  MZ:244.9539 | RT:41 | grpid:234 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 244.953887939453
AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952
XCMS groupid (grpid): 234
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
104.992713928223	340494.65625	100
134.018981933594	6148.11669921875	1.81
162.950485229492	3323.24096679688	0.98

186.911956787109	77847.96875	22.86
186.995681762695	4629.24658203125	1.36
204.922775268555	61411.63671875	18.04
216.667694091797	2451.92456054688	0.72

RECORD_TITLE:  MZ:244.9538 | RT:41.1 | grpid:234 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 244.953842163086
AC$CHROMATOGRAPHY: RETENTION_TIME 41.0984136
XCMS groupid (grpid): 234
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
104.992698669434	416298.96875	100
104.999923706055	7185.41552734375	1.73
134.019241333008	22449.341796875	5.39

183.394256591797	2706.86157226562	0.65
186.912048339844	68123.859375	16.36
186.99592590332	4615.99462890625	1.11
204.922622680664	49536.19921875	11.9

RECORD_TITLE:  MZ:245.0764 | RT:83.4 | grpid:235 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 245.076446533203
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 235
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
102.847290039062	7233.47998046875	0.33
103.039291381836	12718.3603515625	0.58
113.034873962402	2177657.75	100

127.821929931641	6439.4697265625	0.3
133.049758911133	79959.2890625	3.67
183.691345214844	6732.88623046875	0.31
245.160766601562	16266.2109375	0.75

RECORD_TITLE:  MZ:245.0765 | RT:83.6 | grpid:235 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 245.076461791992
AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
XCMS groupid (grpid): 235
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
103.039436340332	8101.8408203125	0.42
113.034912109375	1941275.5	100
115.039443969727	48567.2734375	2.5

149.172576904297	5415.865234375	0.28
158.082015991211	5685.69775390625	0.29
245.160354614258	20578.3828125	1.06
269.657653808594	5373.13623046875	0.28

RECORD_TITLE:  MZ:246.1445 | RT:56 | grpid:238 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 246.14453125
AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412
XCMS groupid (grpid): 238
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
100.075866699219	14307.3046875	1.48
101.071304321289	77612.53125	8.03
101.107765197754	13628.1044921875	1.41

229.153762817383	7065.13134765625	0.73
246.055068969727	24465.38671875	2.53
246.142868041992	33020.84375	3.42
246.180923461914	44765.84375	4.63

RECORD_TITLE:  MZ:246.1446 | RT:56.2 | grpid:238 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 246.144577026367
AC$CHROMATOGRAPHY: RETENTION_TIME 56.1655458
XCMS groupid (grpid): 238
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
100.076126098633	13507.232421875	1.34
101.071449279785	79448.5546875	7.91
101.10791015625	12414.9365234375	1.24

246.14274597168	40747.77734375	4.05
246.180313110352	44600.65625	4.44
246.202621459961	5074.580078125	0.5
262.875	3137.12841796875	0.31

RECORD_TITLE:  MZ:247.1285 | RT:62.9 | grpid:241 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 247.128524780273
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
101.071533203125	4915.9921875	2.23
102.055526733398	17999.03515625	8.16
112.087356567383	18231.693359375	8.27

229.119094848633	17402.88671875	7.89
247.04118347168	6746.8359375	3.06
247.12890625	16844.4296875	7.64
247.185424804688	4080.24975585938	1.85

RECORD_TITLE:  MZ:247.1286 | RT:62.9 | grpid:241 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 247.128555297852
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
109.101608276367	2677.603515625	10.74
112.037132263184	24922.798828125	100
126.405822753906	2260.37182617188	9.07

232.068283081055	2996.47729492188	12.02
249.095306396484	18998.556640625	76.23
249.184753417969	6276.87939453125	25.19
253.000381469727	2692.25341796875	10.8

RECORD_TITLE:  MZ:247.1285 | RT:62.9 | grpid:241 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 247.128494262695
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
100.039733886719	12922.361328125	3
110.016410827637	4399.591796875	1.02
110.023979187012	105860	24.6

212.091552734375	80220.359375	18.65
229.118896484375	12313.20703125	2.86
247.129196166992	18728.529296875	4.35
247.165390014648	5324.00341796875	1.24

RECORD_TITLE:  MZ:247.1286 | RT:63.1 | grpid:241 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 247.128570556641
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
102.055419921875	13477.2587890625	6.38
112.087196350098	21468.986328125	10.16
118.086456298828	211227.515625	100

247.043273925781	11689.3798828125	5.53
247.066665649414	4645.0556640625	2.2
247.128723144531	19147.109375	9.06
247.185501098633	4294.36669921875	2.03

RECORD_TITLE:  MZ:247.1284 | RT:63.1 | grpid:241 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 247.12841796875
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
109.10139465332	3096.30078125	17.6
111.782005310059	2370.93627929688	13.48
112.037254333496	16103.5498046875	91.54

232.072952270508	2832.11767578125	16.1
238.186141967773	2708.92797851562	15.4
249.096389770508	13837.796875	78.66
249.184692382812	3012.81860351562	17.13

RECORD_TITLE:  MZ:247.1285 | RT:63.1 | grpid:241 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 247.128540039062
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.039810180664	16230.130859375	2.51
100.129455566406	3088.31616210938	0.48
109.224807739258	3134.384765625	0.48

214.482971191406	3311.51025390625	0.51
229.118530273438	14333.751953125	2.21
247.128860473633	24032.13671875	3.71
247.165985107422	4345.8564453125	0.67

RECORD_TITLE:  MZ:249.0956 | RT:43.9 | grpid:246 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 249.095626831055
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 246
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
100.417434692383	3012.53979492188	0.25
110.071434020996	52747.71484375	4.38
112.03719329834	1204596.875	100

203.09098815918	35861.9765625	2.98
232.06901550293	202170.046875	16.78
249.095581054688	864044.125	71.73
256.981597900391	3960.87768554688	0.33

RECORD_TITLE:  MZ:249.0956 | RT:44.1 | grpid:246 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 249.095642089844
AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488
XCMS groupid (grpid): 246
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
102.05534362793	5758.3828125	0.61
110.071769714355	39500.23828125	4.2
112.037246704102	940339.1875	100

201.074554443359	5955.5576171875	0.63
203.089859008789	23535.162109375	2.5
232.069076538086	151738.125	16.14
249.095672607422	689680.875	73.34

RECORD_TITLE:  MZ:253.1518 | RT:130.8 | grpid:254 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 253.151809692383
AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
XCMS groupid (grpid): 254
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
107.091743469238	2954.37670898438	3.89
110.071716308594	33523.06640625	44.11
120.081520080566	3132.15551757812	4.12

156.076873779297	3850.58935546875	5.07
200.121810913086	2855.59790039062	3.76
235.118896484375	4956.2041015625	6.52
253.152420043945	75993.6953125	100

RECORD_TITLE:  MZ:253.1517 | RT:131.1 | grpid:254 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 253.151733398438
AC$CHROMATOGRAPHY: RETENTION_TIME 131.148558
XCMS groupid (grpid): 254
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
107.339874267578	2320.88403320312	2.8
110.071655273438	38185.00390625	46.14
115.528038024902	2485.31811523438	3

193.291427612305	2772.30908203125	3.35
212.793746948242	3007.59448242188	3.63
235.118835449219	4806.6279296875	5.81
253.152038574219	82753.3125	100

RECORD_TITLE:  MZ:260.1601 | RT:64.4 | grpid:268 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
101.07137298584	280288.875	6.67
101.107879638672	14493.677734375	0.34
102.055473327637	40350.5546875	0.96

242.186050415039	9920.556640625	0.24
243.13330078125	58166.73828125	1.38
260.160217285156	158789.859375	3.78
260.195007324219	65784.90625	1.57

RECORD_TITLE:  MZ:260.16 | RT:64.4 | grpid:268 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160003662109
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
101.07137298584	224546.640625	8.01
102.055267333984	29658.279296875	1.06
112.051231384277	7085.35498046875	0.25

231.508926391602	8413.22265625	0.3
243.133453369141	64434.46875	2.3
260.160186767578	128216.2578125	4.57
260.197235107422	14137.32421875	0.5

RECORD_TITLE:  MZ:260.16 | RT:64.4 | grpid:268 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
101.071243286133	21230.083984375	5.44
102.055603027344	3450.02783203125	0.88
115.086975097656	46859.32421875	12

197.128952026367	11657.0009765625	2.99
243.133834838867	14146.515625	3.62
260.159088134766	20881.486328125	5.35
260.196716308594	5354.4638671875	1.37

RECORD_TITLE:  MZ:260.1601 | RT:64.4 | grpid:268 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
101.071380615234	133178.875	17.3
101.107894897461	24495.18359375	3.18
112.039588928223	4506.56640625	0.59

257.604095458984	4091.0478515625	0.53
260.1064453125	5038.6826171875	0.65
260.196746826172	36750.984375	4.77
284.158905029297	4032.54028320312	0.52

RECORD_TITLE:  MZ:260.16 | RT:64.4 | grpid:268 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
101.071250915527	18589.9921875	17.74
101.107902526855	4691.70458984375	4.48
117.731323242188	2677.47290039062	2.56

243.134033203125	18298.615234375	17.47
243.169830322266	12057.4189453125	11.51
254.267532348633	3362.4521484375	3.21
260.196075439453	14846.7978515625	14.17

RECORD_TITLE:  MZ:260.1601 | RT:64.4 | grpid:268 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160095214844
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
101.07137298584	186066.078125	17.82
101.107734680176	6916.6748046875	0.66
111.05541229248	3971.5546875	0.38

243.171524047852	14989.9306640625	1.44
260.160430908203	7387.98095703125	0.71
260.19677734375	15505.5068359375	1.49
280.563995361328	3548.77075195312	0.34

RECORD_TITLE:  MZ:260.1602 | RT:64.6 | grpid:268 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 260.16015625
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
101.07137298584	78079.046875	7.39
101.108123779297	4978.68017578125	0.47
102.055351257324	6781.66162109375	0.64

243.1328125	14557.9892578125	1.38
243.371932983398	3638.29248046875	0.34
260.160797119141	29067.166015625	2.75
260.195587158203	24704.6015625	2.34

RECORD_TITLE:  MZ:260.1601 | RT:64.6 | grpid:268 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
101.071365356445	273174.84375	5.97
101.108093261719	12095.40625	0.26
102.05549621582	42987.79296875	0.94

243.133361816406	71680.4296875	1.57
249.004531860352	8383.3125	0.18
260.160278320312	153376.6875	3.35
260.196014404297	57948.74609375	1.27

RECORD_TITLE:  MZ:260.1601 | RT:64.6 | grpid:268 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160064697266
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
100.075759887695	4655.73388671875	0.33
101.071403503418	99811.4140625	7
102.055648803711	22510.1015625	1.58

226.106857299805	10009.373046875	0.7
243.133804321289	43609.92578125	3.06
260.160064697266	64525.95703125	4.53
260.198547363281	14836.2451171875	1.04

RECORD_TITLE:  MZ:260.1601 | RT:64.6 | grpid:268 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160064697266
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
101.071304321289	23766.716796875	5.74
115.086822509766	50466.89453125	12.19
118.08674621582	22815.67578125	5.51

242.148422241211	4731.291015625	1.14
243.132232666016	5274.1142578125	1.27
260.160064697266	14618.138671875	3.53
260.19677734375	5998.279296875	1.45

RECORD_TITLE:  MZ:260.16 | RT:64.6 | grpid:268 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
101.071464538574	61937.484375	13.05
101.107734680176	20074.541015625	4.23
129.065963745117	151079.796875	31.83

242.149765014648	474582.46875	100
243.1337890625	92873.828125	19.57
243.169296264648	28631.462890625	6.03
260.1962890625	27617.501953125	5.82

RECORD_TITLE:  MZ:260.16 | RT:64.6 | grpid:268 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 260.159973144531
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
101.071571350098	19042.111328125	15.08
101.107795715332	10821.4755859375	8.57
113.813926696777	2932.15478515625	2.32

242.149765014648	126271.609375	100
243.134399414062	21099.544921875	16.71
243.170593261719	14233.880859375	11.27
260.197143554688	17110.69921875	13.55

RECORD_TITLE:  MZ:263.196 | RT:74.3 | grpid:278 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 263.196014404297
AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424
XCMS groupid (grpid): 278
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
104.229377746582	2670.97973632812	20.32
125.071014404297	2436.50610351562	18.53
126.956985473633	2508.49682617188	19.08

162.076217651367	4974.1162109375	37.84
181.096832275391	4266.16552734375	32.45
199.108200073242	13146.6943359375	100
215.066757202148	2878.05126953125	21.89

RECORD_TITLE:  MZ:263.1961 | RT:74.5 | grpid:278 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 263.196075439453
AC$CHROMATOGRAPHY: RETENTION_TIME 74.45592
XCMS groupid (grpid): 278
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
102.054862976074	2515.89672851562	15.73
107.425888061523	3018.11962890625	18.88
115.45637512207	3103.68212890625	19.41

171.07600402832	5756.02001953125	36
181.097198486328	4367.5654296875	27.31
199.107574462891	15989.814453125	100
263.089477539062	2743.9130859375	17.16

RECORD_TITLE:  MZ:265.0696 | RT:46.2 | grpid:282 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 265.069580078125
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 282
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
100.917625427246	6046.6025390625	8.42
114.893188476562	23901.982421875	33.29
120.00350189209	50695.48046875	70.6

207.051803588867	15503.8115234375	21.59
218.967727661133	12146.615234375	16.92
221.051132202148	15837.3603515625	22.05
265.072113037109	5118.56787109375	7.13

RECORD_TITLE:  MZ:265.0697 | RT:46.3 | grpid:282 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 265.069671630859
AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
XCMS groupid (grpid): 282
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
100.917533874512	5757.15771484375	7.77
114.893119812012	28334.666015625	38.23
116.069046020508	2184.07983398438	2.95

207.051879882812	13559.623046875	18.3
218.968139648438	6251.12109375	8.43
221.050872802734	15376.314453125	20.75
265.073425292969	5123.87353515625	6.91

RECORD_TITLE:  MZ:268.9983 | RT:42.4 | grpid:298 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 268.998260498047
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 298
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
104.992698669434	3048620	100
112.89591217041	40926.08984375	1.34
123.003486633301	4431.7578125	0.15

192.990859985352	3744.81689453125	0.12
204.922805786133	30499.603515625	1
269.039306640625	5043.013671875	0.17
269.111785888672	15881.720703125	0.52

RECORD_TITLE:  MZ:268.9983 | RT:42.6 | grpid:298 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 268.998291015625
AC$CHROMATOGRAPHY: RETENTION_TIME 42.5736636
XCMS groupid (grpid): 298
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
104.992706298828	1722148.25	100
112.896064758301	66524.015625	3.86
113.738670349121	3244.43115234375	0.19

269.085510253906	8565.349609375	0.5
269.111450195312	15712.990234375	0.91
273.454193115234	2715.39135742188	0.16
276.519256591797	3091.81103515625	0.18

RECORD_TITLE:  MZ:271.0771 | RT:43.2 | grpid:301 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 271.077117919922
AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192
XCMS groupid (grpid): 301
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
100.798370361328	2806.00366210938	6.63
110.071617126465	42341.19921875	100
111.075332641602	3045.94897460938	7.19

219.839691162109	3130.17553710938	7.39
253.066848754883	4060.8232421875	9.59
253.091262817383	3481.53759765625	8.22
271.077209472656	13609.072265625	32.14

RECORD_TITLE:  MZ:271.0772 | RT:43.3 | grpid:301 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 271.077239990234
AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116
XCMS groupid (grpid): 301
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
110.071556091309	39801.6875	100
111.075408935547	2643.5830078125	6.64
117.264106750488	3449.95263671875	8.67

253.068557739258	3641.54418945312	9.15
253.093139648438	4878.31689453125	12.26
254.050476074219	4631.060546875	11.64
271.078033447266	15260.291015625	38.34

RECORD_TITLE:  MZ:272.1712 | RT:59.1 | grpid:303 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 272.171234130859
AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
XCMS groupid (grpid): 303
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
100.07633972168	3624.96484375	0.64
110.071624755859	6275.3115234375	1.11
112.087265014648	175758.65625	30.99

238.11897277832	25840.982421875	4.56
254.161376953125	56754.59765625	10.01
255.14501953125	149334.96875	26.33
272.171447753906	567159.9375	100

RECORD_TITLE:  MZ:272.1712 | RT:59.1 | grpid:303 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 272.171203613281
AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
XCMS groupid (grpid): 303
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.076034545898	19949.189453125	2.17
112.087242126465	329485.15625	35.8
113.071655273438	4598.30322265625	0.5

238.117752075195	52792.4453125	5.74
254.160827636719	98623.3671875	10.71
255.14485168457	256106.625	27.82
272.171356201172	920466.25	100

RECORD_TITLE:  MZ:272.1713 | RT:58.5 | grpid:303 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 272.171264648438
AC$CHROMATOGRAPHY: RETENTION_TIME 58.478901
XCMS groupid (grpid): 303
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.076301574707	12496.2763671875	2.84
110.071594238281	5312.72412109375	1.21
112.087257385254	152846.46875	34.69

238.118347167969	22576.728515625	5.12
254.160858154297	54065.60546875	12.27
255.145080566406	131171.484375	29.77
272.171447753906	440583.8125	100

RECORD_TITLE:  MZ:272.1712 | RT:58.5 | grpid:303 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 272.171234130859
AC$CHROMATOGRAPHY: RETENTION_TIME 58.478901
XCMS groupid (grpid): 303
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
100.076278686523	18250.01171875	2.04
110.023941040039	4066.50732421875	0.45
112.087242126465	324019.03125	36.24

255.11735534668	6694.04296875	0.75
255.122634887695	4730.10205078125	0.53
255.144790649414	253964.265625	28.41
272.171417236328	894020.5625	100

RECORD_TITLE:  MZ:274.1756 | RT:93.5 | grpid:306 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 274.175598144531
AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
XCMS groupid (grpid): 306
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
101.068878173828	3083.6005859375	1.26
115.086715698242	3843.61743164062	1.57
157.133575439453	244224.890625	100
161.092071533203	185869.75	76.11
161.105804443359	4702.1435546875	1.93
185.128646850586	95068.3203125	38.93

RECORD_TITLE:  MZ:274.1758 | RT:93.5 | grpid:306 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 274.175750732422
AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
XCMS groupid (grpid): 306
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
111.12141418457	2919.10546875	3.48
118.139419555664	2762.68212890625	3.29
152.241439819336	2889.55200195312	3.44

199.144088745117	10817.66796875	12.88
203.91975402832	2890.12939453125	3.44
213.804061889648	2904.75952148438	3.46
293.943817138672	3003.84594726562	3.58

RECORD_TITLE:  MZ:274.1757 | RT:93.7 | grpid:306 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 274.175689697266
AC$CHROMATOGRAPHY: RETENTION_TIME 93.704046
XCMS groupid (grpid): 306
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
115.086883544922	4926.205078125	1.98
134.339370727539	3014.974609375	1.21
157.133544921875	248792.71875	100

185.128479003906	103656.1328125	41.66
185.144317626953	3739.43701171875	1.5
240.998413085938	3096.86401367188	1.24
244.528472900391	3161.3740234375	1.27

RECORD_TITLE:  MZ:274.1758 | RT:93.7 | grpid:306 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 274.175811767578
AC$CHROMATOGRAPHY: RETENTION_TIME 93.704046
XCMS groupid (grpid): 306
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
107.794586181641	2516.4248046875	3.03
157.133987426758	35312.12890625	42.52
161.092620849609	22569.705078125	27.18

171.217880249023	2739.57739257812	3.3
175.107727050781	28410.375	34.21
185.129318237305	11420.4775390625	13.75
199.144180297852	6829.45703125	8.22

RECORD_TITLE:  MZ:277.1027 | RT:34 | grpid:311 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 277.102722167969
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 311
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055252075195	19285.34375	57.12
103.058700561523	11779.50390625	34.89
121.485000610352	2537.43798828125	7.52

148.060012817383	26213.484375	77.64
149.06379699707	17484.365234375	51.79
242.084671020508	14739.18359375	43.66
260.095520019531	9966.8857421875	29.52

RECORD_TITLE:  MZ:277.1027 | RT:35 | grpid:311 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 277.102691650391
AC$CHROMATOGRAPHY: RETENTION_TIME 34.9703976
XCMS groupid (grpid): 311
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
101.117088317871	2863.08325195312	3.5
102.055404663086	50160.4453125	61.35
130.049987792969	81759.015625	100

241.082122802734	18428.041015625	22.54
259.091766357422	11490.0615234375	14.05
260.077758789062	3573.9892578125	4.37
296.483093261719	2672.47143554688	3.27

RECORD_TITLE:  MZ:277.1027 | RT:35 | grpid:311 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 277.102661132812
AC$CHROMATOGRAPHY: RETENTION_TIME 34.9703976
XCMS groupid (grpid): 311
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
102.055404663086	72120.984375	65.76
103.05867767334	48864.07421875	44.55
111.366973876953	2833.31323242188	2.58

243.068954467773	3263.1953125	2.98
260.096435546875	13470.7333984375	12.28
261.079376220703	10932.662109375	9.97
278.105987548828	5054.4541015625	4.61

RECORD_TITLE:  MZ:279.1005 | RT:63.7 | grpid:313 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 279.100494384766
AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916
XCMS groupid (grpid): 313
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
102.055374145508	99060.15625	12.22
104.053268432617	810346.25	100
105.037216186523	4860.92724609375	0.6

186.126800537109	3235.509765625	0.4
216.06852722168	75573.1875	9.33
262.074645996094	45437.76171875	5.61
279.099304199219	7316.77685546875	0.9

RECORD_TITLE:  MZ:280.0488 | RT:70.5 | grpid:315 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 280.048767089844
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 315
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
116.985786437988	33421.9296875	31
120.081001281738	11129.6591796875	10.32
123.669364929199	2818.08227539062	2.61

257.906707763672	2842.23803710938	2.64
261.055084228516	24014.6796875	22.27
279.065277099609	18450.875	17.11
280.126678466797	4697.37060546875	4.36

RECORD_TITLE:  MZ:280.0488 | RT:70.6 | grpid:315 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 280.048767089844
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 315
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
116.986145019531	90175.0546875	39.39
122.500762939453	2979.67431640625	1.3
126.041282653809	2491.48876953125	1.09

279.905609130859	3107.13793945312	1.36
280.049163818359	13564.6298828125	5.92
280.126281738281	3274.9765625	1.43
302.081359863281	12904.4560546875	5.64

RECORD_TITLE:  MZ:281.1524 | RT:75 | grpid:320 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 281.152435302734
AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038
XCMS groupid (grpid): 320
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
101.264610290527	2750.7802734375	0.33
103.05460357666	25212.22265625	3.05
120.081024169922	825684.1875	100

143.130569458008	2861.20629882812	0.35
157.364059448242	2556.23803710938	0.31
196.631576538086	2650.54321289062	0.32
239.329803466797	2676.6943359375	0.32

RECORD_TITLE:  MZ:281.1525 | RT:75.2 | grpid:320 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 281.152526855469
AC$CHROMATOGRAPHY: RETENTION_TIME 75.21942
XCMS groupid (grpid): 320
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
103.054763793945	34028.828125	3.95
119.951507568359	2629.16333007812	0.31
120.081024169922	861520.9375	100

153.720336914062	3543.21435546875	0.41
189.584426879883	3025.72802734375	0.35
221.813919067383	2534.84301757812	0.29
267.996520996094	2868.07666015625	0.33

RECORD_TITLE:  MZ:285.0824 | RT:83.4 | grpid:329 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 285.082427978516
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 329
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
103.039367675781	34832.5	1.31
110.035171508789	114180.3125	4.3
110.071548461914	6402.4853515625	0.24

142.105499267578	4813.17431640625	0.18
153.040679931641	2656807.5	100
154.024673461914	285199.78125	10.73
154.037857055664	4174.63427734375	0.16

RECORD_TITLE:  MZ:285.0825 | RT:83.6 | grpid:329 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 285.082458496094
AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
XCMS groupid (grpid): 329
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
103.039260864258	28734.193359375	1.33
110.035217285156	91303.421875	4.22
110.071723937988	13147.5751953125	0.61

141.1025390625	4594.5947265625	0.21
153.040664672852	2162515.5	100
154.024627685547	236670.3125	10.94
154.037643432617	3128.84204101562	0.14

RECORD_TITLE:  MZ:285.0825 | RT:83.6 | grpid:329 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 285.08251953125
AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
XCMS groupid (grpid): 329
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
102.877166748047	11391.2080078125	0.29
103.039733886719	70818.046875	1.77
108.379875183105	10036.453125	0.25

169.74462890625	11478.4873046875	0.29
276.099914550781	12241.7314453125	0.31
283.922821044922	10031.16015625	0.25
301.9716796875	10684.52734375	0.27

RECORD_TITLE:  MZ:287.0512 | RT:43.2 | grpid:332 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 287.051239013672
AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192
XCMS groupid (grpid): 332
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
111.116577148438	2635.97485351562	3.74
113.805793762207	2529.7333984375	3.59
127.086990356445	3527.62426757812	5

230.111846923828	3778.5263671875	5.36
269.040222167969	2981.3544921875	4.23
287.050201416016	70541.3828125	100
304.021636962891	2973.06982421875	4.21

RECORD_TITLE:  MZ:292.1975 | RT:44.8 | grpid:346 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 292.197509765625
AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376
XCMS groupid (grpid): 346
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
112.08748626709	146886.8125	0.82
112.094039916992	21488.705078125	0.12
113.071746826172	19570.8203125	0.11

248.061279296875	26782.0078125	0.15
287.312866210938	15858.4033203125	0.09
303.088562011719	14864.9921875	0.08
309.474395751953	14699.423828125	0.08

RECORD_TITLE:  MZ:294.1542 | RT:92.7 | grpid:350 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154174804688
AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.039588928223	12116.9365234375	2.56
100.112373352051	6914.2412109375	1.46
110.096420288086	3424.94165039062	0.72

248.149124145508	63486.26171875	13.42
258.133422851562	269774.625	57.01
276.144012451172	289220.21875	61.12
283.004730224609	3476.09790039062	0.73

RECORD_TITLE:  MZ:294.1543 | RT:92.7 | grpid:350 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154296875
AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
100.039855957031	11945.4833984375	2.27
100.11254119873	3537.12866210938	0.67
101.024070739746	3956.35595703125	0.75

248.148956298828	50961.2109375	9.67
258.133422851562	429868.0625	81.58
263.925018310547	2871.33056640625	0.54
276.143981933594	370881.4375	70.38

RECORD_TITLE:  MZ:294.1543 | RT:92.7 | grpid:350 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154266357422
AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
112.03931427002	4738.89697265625	8.46
127.039451599121	6637.46044921875	11.85
128.106857299805	4131.669921875	7.38

258.134094238281	56012.828125	100
276.144348144531	39232.16796875	70.04
294.142822265625	3321.01489257812	5.93
301.394378662109	2792.884765625	4.99

RECORD_TITLE:  MZ:294.1443 | RT:127 | grpid:350 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 294.144256591797
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
101.071441650391	34816.140625	3.33
102.055137634277	4712.90234375	0.45
103.054664611816	28540.345703125	2.73

242.080108642578	3713.76049804688	0.35
260.091583251953	6231.1533203125	0.6
277.118194580078	13311.5361328125	1.27
294.144134521484	15787.435546875	1.51

RECORD_TITLE:  MZ:294.1542 | RT:92.9 | grpid:350 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154235839844
AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.039581298828	6100.62353515625	1.43
100.112480163574	6374.77783203125	1.5
103.039588928223	3076.25048828125	0.72

235.040023803711	3332.52368164062	0.78
248.149322509766	52210.234375	12.26
258.133483886719	255259.734375	59.93
276.143981933594	275148.625	64.6

RECORD_TITLE:  MZ:294.1543 | RT:92.9 | grpid:350 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154266357422
AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
100.039398193359	6943.6611328125	1.37
100.112838745117	3517.724609375	0.69
108.044715881348	5075.48486328125	1

230.138656616211	508058.0625	100
248.149200439453	51917.765625	10.22
258.133483886719	443114.375	87.22
276.143981933594	392024.59375	77.16

RECORD_TITLE:  MZ:294.1543 | RT:92.9 | grpid:350 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154327392578
AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
112.039344787598	5124.46142578125	7.47
122.517807006836	3088.34252929688	4.5
127.0390625	6232.49560546875	9.08

268.423004150391	3287.80078125	4.79
276.143981933594	43785.77734375	63.79
294.142303466797	5570.93115234375	8.12
308.502807617188	3742.28930664062	5.45

RECORD_TITLE:  MZ:294.1442 | RT:127.2 | grpid:350 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 294.144195556641
AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
101.071395874023	30196.458984375	3.01
103.05460357666	36452.20703125	3.64
115.028816223145	2923.4765625	0.29

259.107482910156	2916.66284179688	0.29
260.092193603516	4195.158203125	0.42
277.117889404297	16811.05078125	1.68
294.143859863281	18521.876953125	1.85

RECORD_TITLE:  MZ:295.1284 | RT:76.5 | grpid:353 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 295.128387451172
AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
XCMS groupid (grpid): 353
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
102.055305480957	141662.953125	1.78
103.047660827637	9096.5048828125	0.11
103.054672241211	264597.71875	3.33

260.092071533203	5487.70556640625	0.07
277.120513916016	6250.375	0.08
288.727630615234	5923.0712890625	0.07
295.12841796875	60264.61328125	0.76

RECORD_TITLE:  MZ:295.1283 | RT:76.7 | grpid:353 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 295.128326416016
AC$CHROMATOGRAPHY: RETENTION_TIME 76.72203
XCMS groupid (grpid): 353
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
102.055358886719	142350.5625	1.73
103.047714233398	7654.904296875	0.09
103.054664611816	271591.96875	3.3

177.852951049805	5688.75244140625	0.07
249.123413085938	14290.17578125	0.17
256.870849609375	6559.6240234375	0.08
295.129028320312	57312.61328125	0.7

RECORD_TITLE:  MZ:296.0658 | RT:42.4 | grpid:354 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 296.065826416016
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 354
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
104.107414245605	113404.828125	96.9
115.257781982422	2642.28344726562	2.26
118.906105041504	2871.60009765625	2.45

280.090270996094	10559.1611328125	9.02
281.073272705078	3693.57568359375	3.16
298.067657470703	6471.38916015625	5.53
298.096527099609	23370.763671875	19.97

RECORD_TITLE:  MZ:296.0656 | RT:42.4 | grpid:354 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 296.065551757812
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 354
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
104.107582092285	12656.6298828125	16.59
110.071670532227	76296.015625	100
128.03190612793	11512.23828125	15.09

211.106033325195	3517.22680664062	4.61
274.146240234375	3613.0380859375	4.74
280.127960205078	4497.24267578125	5.89
298.135314941406	24276.166015625	31.82

RECORD_TITLE:  MZ:296.0658 | RT:43.3 | grpid:354 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 296.065826416016
AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116
XCMS groupid (grpid): 354
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
102.501098632812	2634.53149414062	2.76
104.107406616211	78233.4765625	82
104.779418945312	2619.09838867188	2.75

281.074127197266	13575.4345703125	14.23
298.067443847656	8395.75	8.8
298.100677490234	33910.890625	35.54
298.133453369141	5547.06982421875	5.81

RECORD_TITLE:  MZ:296.0656 | RT:43.3 | grpid:354 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 296.065582275391
AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116
XCMS groupid (grpid): 354
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
103.752471923828	3372.3203125	1.13
104.107315063477	3889.2138671875	1.31
105.110206604004	4535.83447265625	1.52

160.036758422852	33066.51953125	11.1
197.080413818359	3280.55688476562	1.1
229.070083618164	5290.5830078125	1.78
297.119445800781	5748.119140625	1.93

RECORD_TITLE:  MZ:302.1707 | RT:88.9 | grpid:369 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 302.170684814453
AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
XCMS groupid (grpid): 369
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
111.092300415039	3345.74462890625	0.99
114.091567993164	2964.439453125	0.88
116.070907592773	338258.5	100

187.107772827148	19796.359375	5.85
203.102493286133	107000.6796875	31.63
213.087478637695	12012.677734375	3.55
269.900512695312	3120.37036132812	0.92

RECORD_TITLE:  MZ:302.1707 | RT:88.9 | grpid:369 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 302.170715332031
AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
XCMS groupid (grpid): 369
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
111.091789245605	4032.9169921875	1.2
116.070877075195	335223.84375	100
144.715606689453	2890.23486328125	0.86

189.086227416992	25625.54296875	7.64
203.102386474609	84135.125	25.1
213.08723449707	7243.43408203125	2.16
284.158935546875	3037.86303710938	0.91

RECORD_TITLE:  MZ:302.1706 | RT:89.1 | grpid:369 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 302.170593261719
AC$CHROMATOGRAPHY: RETENTION_TIME 89.058666
XCMS groupid (grpid): 369
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
111.537490844727	2589.2255859375	0.65
116.070930480957	399363.4375	100
120.955596923828	2879.787109375	0.72

185.092102050781	5634.4248046875	1.41
187.108093261719	27319.478515625	6.84
203.102722167969	98053.7265625	24.55
213.085845947266	4722.02392578125	1.18

RECORD_TITLE:  MZ:302.1707 | RT:89.1 | grpid:369 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 302.170745849609
AC$CHROMATOGRAPHY: RETENTION_TIME 89.058666
XCMS groupid (grpid): 369
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
106.602005004883	2616.6298828125	1.08
107.888076782227	2649.7861328125	1.09
116.070938110352	242279.421875	100

203.102783203125	69475.5	28.68
207.951904296875	2900.83618164062	1.2
213.087280273438	3746.56909179688	1.55
218.32536315918	3366.72143554688	1.39

RECORD_TITLE:  MZ:303.1658 | RT:61.4 | grpid:373 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 303.165832519531
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
101.071495056152	17276.505859375	15.08
102.055053710938	4332.97802734375	3.78
110.024024963379	81759.390625	71.36

228.134613037109	17541.95703125	15.31
241.117919921875	5677.2734375	4.96
258.145751953125	11240.6552734375	9.81
261.076507568359	6831.46142578125	5.96

RECORD_TITLE:  MZ:303.1658 | RT:61.4 | grpid:373 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 303.165802001953
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
101.071464538574	18367.666015625	14.33
110.024108886719	13310.111328125	10.38
113.071151733398	16702.12890625	13.03

249.111709594727	3236.0263671875	2.52
269.112640380859	21471.349609375	16.75
285.155151367188	33509.90625	26.14
293.368133544922	3520.171875	2.75

RECORD_TITLE:  MZ:303.0948 | RT:105.5 | grpid:373 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 303.094818115234
AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
110.024101257324	4604.99267578125	1.29
110.07202911377	3307.8427734375	0.92
116.034477233887	19055.865234375	5.32

266.815307617188	3664.97534179688	1.02
300.143127441406	3281.59790039062	0.92
303.095092773438	61232.3671875	17.09
303.130859375	14230.2265625	3.97

RECORD_TITLE:  MZ:303.0948 | RT:105.5 | grpid:373 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 303.094818115234
AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
110.023574829102	11016.3857421875	2.99
110.071388244629	3747.73095703125	1.02
116.03441619873	21938.626953125	5.96

240.131469726562	3783.43115234375	1.03
246.144180297852	3886.61254882812	1.06
303.094879150391	68342.453125	18.55
303.131011962891	13898.3095703125	3.77

RECORD_TITLE:  MZ:303.0947 | RT:105.5 | grpid:373 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 303.0947265625
AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
110.023948669434	15201.4501953125	6.73
116.03434753418	13027.6708984375	5.77
121.198669433594	2637.90063476562	1.17

240.134368896484	3921.88525390625	1.74
259.108093261719	2812.29614257812	1.24
303.094757080078	60774.92578125	26.9
303.131896972656	13393.4365234375	5.93

RECORD_TITLE:  MZ:303.1659 | RT:61.5 | grpid:373 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 303.165893554688
AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
101.071395874023	18300.72265625	14.83
110.023971557617	88799.8046875	71.98
110.071678161621	4078.85327148438	3.31

228.13493347168	14781.4248046875	11.98
258.145233154297	13773.197265625	11.16
261.076416015625	4368.72607421875	3.54
285.155242919922	5692.4150390625	4.61

RECORD_TITLE:  MZ:303.0948 | RT:106.6 | grpid:373 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 303.094757080078
AC$CHROMATOGRAPHY: RETENTION_TIME 106.573314
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
110.02392578125	14553.478515625	4.57
115.762519836426	2732.40161132812	0.86
116.034400939941	20459.330078125	6.43

240.133682250977	5821.06689453125	1.83
303.095336914062	63165.71484375	19.85
303.131256103516	14183.5498046875	4.46
305.864379882812	3475.26684570312	1.09

RECORD_TITLE:  MZ:306.1654 | RT:60.6 | grpid:379 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 306.165435791016
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 379
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
102.055488586426	3576.6201171875	2.29
106.050354003906	46062.7578125	29.46
114.09162902832	24265.951171875	15.52

255.378860473633	3034.83129882812	1.94
276.966583251953	3468.1474609375	2.22
304.058044433594	3342.54663085938	2.14
304.39501953125	3399.11840820312	2.17

RECORD_TITLE:  MZ:306.1654 | RT:60.8 | grpid:379 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 306.165435791016
AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158
XCMS groupid (grpid): 379
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
106.050323486328	74894.4453125	61.29
112.64949798584	2889.20166015625	2.36
116.070846557617	37102.015625	30.36

207.097396850586	3845.00024414062	3.15
219.135238647461	3163.32836914062	2.59
270.143188476562	3606.33642578125	2.95
309.902038574219	3108.3212890625	2.54

RECORD_TITLE:  MZ:307.0644 | RT:83.4 | grpid:381 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 307.064361572266
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 381
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
133.049545288086	5159.76806640625	0.38
155.031463623047	6253.12939453125	0.46
156.391296386719	3223.2578125	0.24

193.032424926758	3446.2578125	0.25
193.298492431641	2871.95751953125	0.21
216.04899597168	22096.67578125	1.62
307.064575195312	124718.9375	9.15

RECORD_TITLE:  MZ:307.0644 | RT:84.4 | grpid:381 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 307.064361572266
AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
XCMS groupid (grpid): 381
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
118.766929626465	2792.95947265625	0.22
133.049179077148	4814.24609375	0.39
155.032363891602	3902.88134765625	0.31

194.809097290039	2825.58129882812	0.23
216.04899597168	16765.642578125	1.35
294.689575195312	3187.49096679688	0.26
307.065185546875	100591.7265625	8.09

RECORD_TITLE:  MZ:310.1391 | RT:64.4 | grpid:390 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 310.139099121094
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 390
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
101.071449279785	48478.1953125	3.65
102.055252075195	7670.65087890625	0.58
107.049453735352	45553.19921875	3.43

276.086181640625	35498.7421875	2.67
293.112335205078	16164.1708984375	1.22
310.14013671875	39121.29296875	2.95
310.173400878906	6785.9521484375	0.51

RECORD_TITLE:  MZ:310.1733 | RT:99.9 | grpid:390 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 310.173309326172
AC$CHROMATOGRAPHY: RETENTION_TIME 99.89805
XCMS groupid (grpid): 390
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
110.155097961426	2676.5810546875	0.85
112.037208557129	93422.6875	29.64
128.505966186523	2817.84057617188	0.89

221.125839233398	5832.0478515625	1.85
239.136581420898	117392.2734375	37.25
304.273651123047	2863.95190429688	0.91
310.173461914062	315141.34375	100

RECORD_TITLE:  MZ:310.1733 | RT:100.1 | grpid:390 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 310.173309326172
AC$CHROMATOGRAPHY: RETENTION_TIME 100.10529
XCMS groupid (grpid): 390
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
112.037353515625	76872.484375	23.39
122.226097106934	2590.57788085938	0.79
136.075698852539	2975.9716796875	0.91

283.275482177734	3348.0849609375	1.02
292.165405273438	3616.77392578125	1.1
310.173583984375	328608.09375	100
332.187194824219	2774.29077148438	0.84

RECORD_TITLE:  MZ:311.1232 | RT:60.6 | grpid:391 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 311.123199462891
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 391
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
102.055458068848	76959.8515625	11.06
107.049293518066	17190.248046875	2.47
119.049499511719	59540.203125	8.55

293.112396240234	32461.78125	4.66
294.107330322266	3196.60620117188	0.46
297.643768310547	3068.45141601562	0.44
311.13720703125	3376.45483398438	0.49

RECORD_TITLE:  MZ:311.1232 | RT:60.6 | grpid:391 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 311.123229980469
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 391
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
102.055267333984	25959.181640625	1.56
103.05436706543	7600.23388671875	0.46
107.049491882324	6836.66650390625	0.41

275.164428710938	4258.0537109375	0.26
290.621398925781	4374.6171875	0.26
294.096374511719	93190.0859375	5.62
311.131652832031	58676.25390625	3.54

RECORD_TITLE:  MZ:311.1233 | RT:60.8 | grpid:391 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 311.123321533203
AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158
XCMS groupid (grpid): 391
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
102.048942565918	4303.8115234375	0.76
102.055313110352	74308.8984375	13.2
107.049201965332	18898.404296875	3.36

247.107391357422	206649.390625	36.7
266.758697509766	3608.98876953125	0.64
293.114105224609	29779.12890625	5.29
311.138702392578	3576.6796875	0.64

RECORD_TITLE:  MZ:311.1233 | RT:60.8 | grpid:391 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 311.123321533203
AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158
XCMS groupid (grpid): 391
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
102.055397033691	19171.626953125	2.03
107.049255371094	4313.7041015625	0.46
119.049407958984	234709.6875	24.8

294.096649169922	58689.56640625	6.2
311.13134765625	28442.384765625	3
313.788848876953	3409.77734375	0.36
320.026641845703	3267.57104492188	0.35

RECORD_TITLE:  MZ:313.1752 | RT:70.5 | grpid:397 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 313.175231933594
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 397
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
101.695213317871	3385.59912109375	42.51
123.04426574707	3538.955078125	44.44
126.253456115723	3662.13037109375	45.98

190.214126586914	3634.75854492188	45.64
275.897308349609	4505.84912109375	56.58
313.157958984375	4618.80029296875	58
324.759063720703	3623.89794921875	45.5

RECORD_TITLE:  MZ:313.1753 | RT:70.6 | grpid:397 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 313.175262451172
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 397
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
101.525428771973	4244.95068359375	26.63
119.048828125	4152.005859375	26.04
123.043998718262	4032.08984375	25.29

165.054809570312	15942.01171875	100
285.324310302734	4988.541015625	31.29
313.157501220703	6084.83349609375	38.17
329.386474609375	3902.72241210938	24.48

RECORD_TITLE:  MZ:317.1815 | RT:69.2 | grpid:407 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 317.181549072266
AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026
XCMS groupid (grpid): 407
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
100.000617980957	2764.93823242188	1.39
101.071342468262	52776.33203125	26.46
110.060340881348	24591.759765625	12.33

210.124572753906	14695.6591796875	7.37
225.123199462891	4797.7587890625	2.41
245.35807800293	3679.95971679688	1.84
299.171508789062	68947.8515625	34.56

RECORD_TITLE:  MZ:317.1816 | RT:69.2 | grpid:407 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 317.181579589844
AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026
XCMS groupid (grpid): 407
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
111.924682617188	2987.87060546875	3.08
113.071136474609	3521.54345703125	3.63
113.107749938965	4745.8115234375	4.89

228.134841918945	26519.537109375	27.35
255.133773803711	6747.7666015625	6.96
272.159423828125	10641.6845703125	10.98
317.116455078125	4209.64306640625	4.34

RECORD_TITLE:  MZ:320.1811 | RT:62.9 | grpid:415 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 320.181091308594
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 415
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
101.071365356445	281855.375	20.7
101.206703186035	3570.3681640625	0.26
102.055252075195	27374.044921875	2.01

221.113983154297	5093.689453125	0.37
241.118682861328	6213.60546875	0.46
259.129089355469	6648.86767578125	0.49
302.170257568359	15380.2099609375	1.13

RECORD_TITLE:  MZ:320.181 | RT:62.9 | grpid:415 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 320.181030273438
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 415
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
101.071380615234	2992.677734375	1.5
110.071418762207	3555.12036132812	1.78
112.075950622559	47222.296875	23.68

304.179077148438	2929.642578125	1.47
307.448608398438	2918.53735351562	1.46
320.157135009766	5962.02001953125	2.99
343.174377441406	4363.37353515625	2.19

RECORD_TITLE:  MZ:320.1811 | RT:63.1 | grpid:415 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 320.181121826172
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 415
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
101.071395874023	307345.34375	20
102.055290222168	22224.041015625	1.45
108.081634521484	10953.9453125	0.71

265.652374267578	3211.76806640625	0.21
276.698638916016	3204.525390625	0.21
279.226867675781	3227.61767578125	0.21
302.171600341797	14686.783203125	0.96

RECORD_TITLE:  MZ:320.1811 | RT:63.1 | grpid:415 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 320.181060791016
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 415
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
100.63224029541	2963.869140625	1.38
101.071441650391	4505.61083984375	2.09
110.07160949707	5812.294921875	2.7

224.080871582031	4288.7607421875	1.99
258.145782470703	27850.513671875	12.94
291.824340820312	2872.27758789062	1.33
342.055236816406	3642.53344726562	1.69

RECORD_TITLE:  MZ:323.0384 | RT:83.4 | grpid:423 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 323.038360595703
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 423
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
129.365707397461	3141.83325195312	52.63
155.72932434082	2785.9228515625	46.67
190.997634887695	3309.103515625	55.44
323.039398193359	5969.2158203125	100

RECORD_TITLE:  MZ:323.0384 | RT:84.4 | grpid:423 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 323.038360595703
AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
XCMS groupid (grpid): 423
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
128.50553894043	3386.35693359375	25.58
153.065856933594	2935.0458984375	22.17
179.621505737305	2628.43286132812	19.86
190.996322631836	6637.37841796875	50.14
256.982543945312	3841.45336914062	29.02
323.039276123047	13236.58203125	100
344.520050048828	3327.75537109375	25.14

RECORD_TITLE:  MZ:323.0383 | RT:84.4 | grpid:423 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 323.038269042969
AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
XCMS groupid (grpid): 423
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
106.13370513916	3051.279296875	57.74
137.635299682617	2781.98217773438	52.65
144.017776489258	2624.34545898438	49.66

212.091339111328	2775.75756835938	52.53
222.567947387695	2769.4775390625	52.41
305.012542724609	5284.28857421875	100
348.558624267578	3066.99365234375	58.04

RECORD_TITLE:  MZ:326.1472 | RT:97.7 | grpid:429 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 326.147247314453
AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058
XCMS groupid (grpid): 429
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
110.071594238281	18136.025390625	100
111.771446228027	2785.8037109375	15.36
117.990272521973	2784.25244140625	15.35

165.825180053711	2898.11499023438	15.98
202.852157592773	3820.03295898438	21.06
255.132080078125	4374.06005859375	24.12
309.125244140625	6484.82861328125	35.76

RECORD_TITLE:  MZ:332.1812 | RT:65.9 | grpid:443 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181243896484
AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
100.559684753418	3718.64868164062	2.77
102.05542755127	26123.17578125	19.49
116.071006774902	13162.55859375	9.82

219.097274780273	66659.25	49.73
233.113525390625	19939.693359375	14.88
316.752319335938	3677.53686523438	2.74
332.191650390625	6762.85791015625	5.05

RECORD_TITLE:  MZ:332.1811 | RT:65.9 | grpid:443 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181060791016
AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
102.05541229248	52506.98828125	44.84
109.076324462891	6153.2685546875	5.26
136.087371826172	3486.95043945312	2.98

215.138977050781	87088.8203125	74.38
219.097640991211	11436.181640625	9.77
243.134414672852	26365.50390625	22.52
318.824340820312	3342.03344726562	2.85

RECORD_TITLE:  MZ:332.181 | RT:65.9 | grpid:443 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181030273438
AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
102.055519104004	6797.51953125	6.65
102.420440673828	2608.35546875	2.55
109.076461791992	2799.908203125	2.74

215.137771606445	21268.103515625	20.79
233.112884521484	66269.2890625	64.79
259.901397705078	3126.96142578125	3.06
265.669219970703	3109.36840820312	3.04

RECORD_TITLE:  MZ:332.1002 | RT:127.7 | grpid:443 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 332.100189208984
AC$CHROMATOGRAPHY: RETENTION_TIME 127.720194
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
124.921501159668	2787.30419921875	82.57
130.83171081543	2762.00854492188	81.83
136.59423828125	2854.00708007812	84.55
145.657409667969	2890.59912109375	85.63
215.693115234375	3375.4921875	100

RECORD_TITLE:  MZ:332.1812 | RT:66.1 | grpid:443 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181213378906
AC$CHROMATOGRAPHY: RETENTION_TIME 66.147648
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
102.055389404297	43917.640625	27.43
116.071266174316	3441.60864257812	2.15
120.066108703613	6721.34130859375	4.2

227.102386474609	3936.34204101562	2.46
233.113830566406	20265.533203125	12.66
298.115844726562	3825.31762695312	2.39
332.199829101562	3429.04418945312	2.14

RECORD_TITLE:  MZ:332.1811 | RT:66.1 | grpid:443 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181121826172
AC$CHROMATOGRAPHY: RETENTION_TIME 66.147648
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
102.055480957031	11927.3154296875	9.12
105.358688354492	2841.67114257812	2.17
109.076042175293	3352.17016601562	2.56

215.138122558594	29687.029296875	22.7
233.113311767578	68994.71875	52.77
316.371520996094	3379.04663085938	2.58
347.046173095703	3459.23193359375	2.65

RECORD_TITLE:  MZ:332.1003 | RT:128 | grpid:443 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 332.100311279297
AC$CHROMATOGRAPHY: RETENTION_TIME 127.98057
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
107.337799072266	3200.95288085938	100
121.272087097168	2818.72631835938	88.06
140.474029541016	2970.421875	92.8
180.650238037109	3080.52490234375	96.24
262.043762207031	2794.6884765625	87.31
353.14501953125	3135.12060546875	97.94

RECORD_TITLE:  MZ:334.1393 | RT:121.6 | grpid:450 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 334.139282226562
AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
XCMS groupid (grpid): 450
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
102.055374145508	34924.125	6.12
115.054656982422	6235.50390625	1.09
117.057525634766	7535.74072265625	1.32

299.102294921875	15727.2548828125	2.75
317.113159179688	89027.9609375	15.59
326.211242675781	3113.96240234375	0.55
347.064605712891	3606.46557617188	0.63

RECORD_TITLE:  MZ:334.1393 | RT:121.6 | grpid:450 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 334.139251708984
AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
XCMS groupid (grpid): 450
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
105.638916015625	2670.29809570312	18.95
130.162689208984	3056.7685546875	21.69
132.071838378906	3012.13842773438	21.38

237.655975341797	2828.33325195312	20.07
278.594848632812	3003.77319335938	21.32
319.119873046875	3982.1943359375	28.26
341.972106933594	3192.58032226562	22.66

RECORD_TITLE:  MZ:334.1393 | RT:121.8 | grpid:450 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 334.139343261719
AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
XCMS groupid (grpid): 450
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
102.039459228516	3126.5771484375	0.87
102.05541229248	22925.572265625	6.37
115.054595947266	4878.6552734375	1.36

275.105682373047	4434.3291015625	1.23
290.108581542969	7415.12744140625	2.06
299.102355957031	15771.7763671875	4.38
317.112731933594	53765.765625	14.94

RECORD_TITLE:  MZ:334.1392 | RT:121.8 | grpid:450 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 334.139221191406
AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
XCMS groupid (grpid): 450
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
130.064987182617	3957.09008789062	23.93
132.081146240234	5052.8193359375	30.56
134.146469116211	3342.78857421875	20.22

170.059799194336	3234.10571289062	19.56
171.062759399414	3257.57153320312	19.7
237.822662353516	3933.26025390625	23.79
331.68310546875	3073.66259765625	18.59

RECORD_TITLE:  MZ:335.0734 | RT:37.1 | grpid:451 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 335.073364257812
AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878
XCMS groupid (grpid): 451
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
109.028854370117	77211.3671875	100
112.417579650879	2861.51879882812	3.71
116.994819641113	14928.2919921875	19.33

273.154998779297	3246.16064453125	4.2
276.924835205078	5296.65771484375	6.86
316.950531005859	7445.36279296875	9.64
335.071899414062	3603.01391601562	4.67

RECORD_TITLE:  MZ:347.192 | RT:78 | grpid:479 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 347.192047119141
AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
101.071395874023	36722.35546875	38.71
102.055473327637	12178.884765625	12.84
104.107437133789	3611.51147460938	3.81

242.150268554688	25836.65625	27.23
273.754791259766	3415.47680664062	3.6
329.180480957031	4035.25463867188	4.25
347.135772705078	4032.771484375	4.25

RECORD_TITLE:  MZ:347.1921 | RT:78 | grpid:479 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 347.192077636719
AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
101.071617126465	5398.6298828125	0.58
103.723625183105	3265.326171875	0.35
111.991218566895	2874.86499023438	0.31

234.108322143555	22444.685546875	2.4
269.112457275391	13442.9560546875	1.44
348.072723388672	3934.16088867188	0.42
358.842193603516	3603.02954101562	0.39

RECORD_TITLE:  MZ:347.1919 | RT:78 | grpid:479 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 347.19189453125
AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
101.071342468262	67131.6328125	17.67
102.055252075195	18796.11328125	4.95
106.050277709961	218794.21875	57.58

329.181610107422	60851.21484375	16.02
330.166595458984	7788.13623046875	2.05
337.523315429688	3762.87573242188	0.99
347.136596679688	4138.767578125	1.09

RECORD_TITLE:  MZ:347.1921 | RT:78 | grpid:479 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 347.192138671875
AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
101.071487426758	40989.35546875	34.36
106.050384521484	64746.98046875	54.27
120.065864562988	4761.80517578125	3.99

228.133529663086	2950.7197265625	2.47
234.108062744141	13047.580078125	10.94
291.422515869141	3581.61791992188	3
329.181762695312	16518.06640625	13.84

RECORD_TITLE:  MZ:347.192 | RT:78.2 | grpid:479 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 347.192016601562
AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
101.071472167969	45171.87890625	33.5
102.055595397949	6679.82958984375	4.95
105.658126831055	3707.39477539062	2.75

242.149551391602	36058.55078125	26.74
329.181365966797	6031.48583984375	4.47
347.132202148438	13041.052734375	9.67
351.198883056641	3373.9384765625	2.5

RECORD_TITLE:  MZ:347.192 | RT:78.2 | grpid:479 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 347.191955566406
AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
118.086494445801	7576.1259765625	0.8
119.082153320312	26106.646484375	2.77
130.049880981445	17185.96875	1.82

218.650161743164	3395.4833984375	0.36
228.134613037109	4603.17626953125	0.49
230.112823486328	12677.3818359375	1.34
234.108779907227	24262.263671875	2.57

RECORD_TITLE:  MZ:347.192 | RT:78.2 | grpid:479 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 347.192016601562
AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
101.071464538574	86710.421875	15.64
102.055419921875	16750.51171875	3.02
106.050262451172	326808.28125	58.94

311.170501708984	15094.2666015625	2.72
312.156188964844	22827.654296875	4.12
329.181121826172	67683.03125	12.21
330.1669921875	13961.8564453125	2.52

RECORD_TITLE:  MZ:347.192 | RT:78.2 | grpid:479 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 347.192047119141
AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
101.07154083252	23334.921875	33.47
106.05061340332	21394.607421875	30.69
120.065376281738	4280.36767578125	6.14

216.097473144531	6720.2353515625	9.64
217.081832885742	18838.884765625	27.02
329.182678222656	4375.25	6.28
346.2744140625	2887.69140625	4.14

RECORD_TITLE:  MZ:352.0628 | RT:112 | grpid:488 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 352.062774658203
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
120.081108093262	19078.498046875	10.28
122.027221679688	185501.0625	100
130.050018310547	29379.146484375	15.84

223.020202636719	26858.08203125	14.48
231.043319702148	73601.2578125	39.68
266.384307861328	3563.92919921875	1.92
289.0302734375	11603.8994140625	6.26

RECORD_TITLE:  MZ:352.0627 | RT:112 | grpid:488 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 352.062713623047
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
102.055229187012	4722.8076171875	0.84
105.000785827637	15800.900390625	2.8
105.97834777832	17800.91015625	3.16

268.136962890625	4854.58837890625	0.86
273.255798339844	3565.61401367188	0.63
289.029968261719	27259.474609375	4.83
335.035552978516	6442.3271484375	1.14

RECORD_TITLE:  MZ:352.0627 | RT:112 | grpid:488 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 352.062683105469
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
105.001022338867	16878.21875	3.05
105.978256225586	14976.3896484375	2.7
117.995971679688	5842.73388671875	1.06

231.043365478516	225713.1875	40.77
289.031616210938	22910.04296875	4.14
335.036315917969	5819.75537109375	1.05
352.064575195312	6418.50390625	1.16

RECORD_TITLE:  MZ:352.0628 | RT:113 | grpid:488 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 352.062805175781
AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
102.055809020996	3488.69775390625	2.01
105.001289367676	3172.0302734375	1.83
120.081344604492	5174.9794921875	2.99

223.020645141602	27145.65625	15.67
231.043487548828	60952.73828125	35.18
239.811767578125	2879.68359375	1.66
289.031402587891	3247.91870117188	1.87

RECORD_TITLE:  MZ:352.0627 | RT:113 | grpid:488 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 352.062713623047
AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
102.055686950684	3123.27661132812	0.57
105.00089263916	16334.1181640625	2.96
105.97827911377	13701.4443359375	2.48

231.04328918457	206556.171875	37.38
289.031494140625	22851.3984375	4.14
335.037445068359	12120.7685546875	2.19
352.063659667969	7431.4755859375	1.34

RECORD_TITLE:  MZ:352.0628 | RT:113 | grpid:488 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 352.062805175781
AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
102.055854797363	3649.76806640625	0.58
105.000877380371	21843.5390625	3.46
105.978240966797	16929.64453125	2.68

265.029479980469	3436.65844726562	0.54
289.030517578125	27543.3359375	4.37
335.035797119141	7070.41162109375	1.12
352.061828613281	13867.8984375	2.2

RECORD_TITLE:  MZ:361.1388 | RT:70.6 | grpid:513 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 361.138793945312
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 513
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
100.039588928223	12111.5087890625	4.67
107.049629211426	4299.3486328125	1.66
110.023170471191	3329.40161132812	1.28

327.087799072266	5716.10888671875	2.2
343.513671875	4175.29833984375	1.61
344.113220214844	18831.517578125	7.26
361.139190673828	34313.515625	13.22

RECORD_TITLE:  MZ:362.1915 | RT:64.4 | grpid:515 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 362.191528320312
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 515
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
101.071388244629	21639.20703125	9.06
102.055397033691	133039.03125	55.68
116.071235656738	6828.22705078125	2.86

231.143371582031	3239.9208984375	1.36
242.328903198242	3181.13891601562	1.33
243.133941650391	51009.54296875	21.35
249.107604980469	10863.931640625	4.55

RECORD_TITLE:  MZ:362.1916 | RT:64.6 | grpid:515 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 362.191558837891
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 515
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
101.071533203125	23256.37109375	10.65
102.055381774902	115666.3125	52.95
102.202476501465	3083.99609375	1.41

231.097671508789	138937.828125	63.6
238.79475402832	3672.62524414062	1.68
243.133636474609	43720.54296875	20.01
249.107650756836	5705.5341796875	2.61

RECORD_TITLE:  MZ:363.1544 | RT:69.7 | grpid:518 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 363.154388427734
AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042
XCMS groupid (grpid): 518
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
100.313407897949	6955.587890625	2.46
103.620452880859	5906.43359375	2.09
119.049507141113	64195.64453125	22.75

216.112915039062	12873.7197265625	4.56
216.143112182617	8893.7724609375	3.15
351.907806396484	7833.08203125	2.78
362.615264892578	7317.9599609375	2.59

RECORD_TITLE:  MZ:363.1544 | RT:69.9 | grpid:518 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 363.154418945312
AC$CHROMATOGRAPHY: RETENTION_TIME 69.864534
XCMS groupid (grpid): 518
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
119.049301147461	70843.5703125	21.06
123.044204711914	107581.75	31.98
136.075729370117	336374.71875	100

216.112899780273	12982.91015625	3.86
246.316207885742	5869.61962890625	1.74
253.381652832031	6271.06396484375	1.86
353.493469238281	6891.98046875	2.05

RECORD_TITLE:  MZ:369.1532 | RT:118.6 | grpid:537 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 369.153167724609
AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076
XCMS groupid (grpid): 537
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
113.532424926758	3462.68896484375	100
117.139762878418	3111.56518554688	89.86
141.411041259766	2775.10424804688	80.14
159.579620361328	2853.40112304688	82.4
165.934677124023	2729.99926757812	78.84

RECORD_TITLE:  MZ:375.187 | RT:51.4 | grpid:551 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186950683594
AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
100.076095581055	4223.64794921875	4.36
101.071472167969	21753.130859375	22.46
102.05534362793	50440.78515625	52.09

262.103668212891	46524.4375	48.04
272.436157226562	3337.22216796875	3.45
370.075561523438	3940.17626953125	4.07
375.224273681641	4388.0234375	4.53

RECORD_TITLE:  MZ:375.1869 | RT:51.4 | grpid:551 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186920166016
AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
101.071304321289	13405.0166015625	28.5
102.055389404297	19491.09765625	41.43
126.051071166992	4171.79443359375	8.87

229.118667602539	6618.83740234375	14.07
240.494720458984	3784.48266601562	8.05
262.140350341797	4663.99462890625	9.91
321.792327880859	3053.04345703125	6.49

RECORD_TITLE:  MZ:375.1868 | RT:51.4 | grpid:551 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186798095703
AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
101.071662902832	7235.58251953125	8.78
102.055229187012	3702.70141601562	4.49
116.034523010254	3825.14379882812	4.64

234.206329345703	3346.74047851562	4.06
245.759918212891	3233.3134765625	3.92
297.19140625	3240.19653320312	3.93
357.176025390625	3393.13134765625	4.12

RECORD_TITLE:  MZ:375.1868 | RT:51.4 | grpid:551 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186767578125
AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
101.0712890625	5265.71240234375	6.76
102.055549621582	6733.99853515625	8.64
116.071098327637	3403.06518554688	4.37

276.167419433594	6337.36376953125	8.14
277.587829589844	3088.16577148438	3.96
358.832824707031	4319.5302734375	5.55
375.233215332031	6744.6181640625	8.66

RECORD_TITLE:  MZ:375.1871 | RT:51.6 | grpid:551 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 375.187103271484
AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
100.076263427734	7546.1962890625	5.66
100.76611328125	3715.6416015625	2.79
101.071418762207	15644.1923828125	11.74

258.109802246094	59167.54296875	44.41
262.103057861328	5984.1650390625	4.49
311.065277099609	3691.60766601562	2.77
375.222900390625	7451.01513671875	5.59

RECORD_TITLE:  MZ:375.1869 | RT:51.6 | grpid:551 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186859130859
AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
101.071601867676	12710.5751953125	19.58
102.055297851562	26777.037109375	41.25
106.278053283691	2853.70825195312	4.4

201.122421264648	3693.38549804688	5.69
229.118041992188	7423.732421875	11.44
262.137420654297	9826.9990234375	15.14
291.134735107422	3265.45678710938	5.03

RECORD_TITLE:  MZ:375.1869 | RT:51.6 | grpid:551 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186920166016
AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
101.071319580078	16489.58203125	29.07
101.288635253906	3558.95239257812	6.27
129.066070556641	6207.2783203125	10.94

200.139190673828	19149.88671875	33.76
201.123733520508	34482.609375	60.79
203.102203369141	14561.48046875	25.67
260.471221923828	3444.17211914062	6.07

RECORD_TITLE:  MZ:375.1867 | RT:51.6 | grpid:551 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186706542969
AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
102.055549621582	13487.74609375	44.88
116.070671081543	5957.71142578125	19.83
118.882690429688	2930.4892578125	9.75

249.166625976562	3427.99584960938	11.41
276.167205810547	18164.0859375	60.45
375.233428955078	5857.43798828125	19.49
377.149841308594	3169.154296875	10.55

RECORD_TITLE:  MZ:394.1604 | RT:112 | grpid:596 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 394.160400390625
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 596
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
102.766708374023	3929.609375	7.41
117.806762695312	3366.19604492188	6.35
118.686012268066	3622.3388671875	6.83

213.08674621582	5382.7021484375	10.15
279.134704589844	22566.8359375	42.54
317.111999511719	7535.61669921875	14.21
359.123138427734	5193.3125	9.79

RECORD_TITLE:  MZ:394.1605 | RT:113 | grpid:596 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 394.160461425781
AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
XCMS groupid (grpid): 596
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
125.071266174316	18474.486328125	35.71
136.07585144043	26903.927734375	52
142.836349487305	3245.5166015625	6.27

279.133819580078	18169.6484375	35.12
317.114227294922	13560.7890625	26.21
359.126098632812	3799.70556640625	7.34
394.346771240234	3509.42309570312	6.78

RECORD_TITLE:  MZ:401.0603 | RT:34 | grpid:612 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 401.060302734375
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 612
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
116.995132446289	136892.984375	1.66
124.999984741211	42946.36328125	0.52
136.999877929688	238328.71875	2.89

291.002990722656	192032.71875	2.33
309.012908935547	35465.66796875	0.43
311.400085449219	10430.2568359375	0.13
376.881713867188	8704.376953125	0.11

RECORD_TITLE:  MZ:401.0603 | RT:34 | grpid:612 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 401.060333251953
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 612
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
100.988975524902	47076.8515625	31.69
108.061096191406	3763.66381835938	2.53
109.599235534668	2997.06420898438	2.02

211.036483764648	4254.63330078125	2.86
231.051712036133	6051.41162109375	4.07
234.976608276367	3502.38916015625	2.36
236.98127746582	5809.45556640625	3.91

RECORD_TITLE:  MZ:401.0603 | RT:34.2 | grpid:612 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 401.060333251953
AC$CHROMATOGRAPHY: RETENTION_TIME 34.1913918
XCMS groupid (grpid): 612
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
116.995010375977	152569.53125	1.82
123.777450561523	8107.2958984375	0.1
124.999740600586	60736.56640625	0.72

291.002960205078	215600.65625	2.57
309.01318359375	13654.2666015625	0.16
364.542114257812	7702.04541015625	0.09
404.745391845703	7731.3017578125	0.09

RECORD_TITLE:  MZ:401.0604 | RT:34.2 | grpid:612 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 401.060363769531
AC$CHROMATOGRAPHY: RETENTION_TIME 34.1913918
XCMS groupid (grpid): 612
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
100.988807678223	40817.30859375	25.9
101.309761047363	3056.51245117188	1.94
141.789901733398	3405.86743164062	2.16

231.051651000977	4658.02783203125	2.96
236.980819702148	4265.56103515625	2.71
254.277374267578	4000.4482421875	2.54
373.381866455078	3680.00122070312	2.34

RECORD_TITLE:  MZ:404.1419 | RT:126.2 | grpid:618 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 404.141937255859
AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204
XCMS groupid (grpid): 618
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
136.051010131836	4214.84375	1.66
136.061798095703	154229.46875	60.57
137.045776367188	254645.9375	100

176.857574462891	3244.943359375	1.27
191.558868408203	3635.75805664062	1.43
215.409362792969	3903.9443359375	1.53
254.295944213867	4236.8359375	1.66

RECORD_TITLE:  MZ:404.1418 | RT:126.4 | grpid:618 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 404.141845703125
AC$CHROMATOGRAPHY: RETENTION_TIME 126.441198
XCMS groupid (grpid): 618
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
136.061737060547	186923.140625	67.72
137.045791625977	276035.78125	100
149.350723266602	2960.25122070312	1.07
155.559341430664	3138.55590820312	1.14
207.745498657227	2866.4462890625	1.04
305.455352783203	3670.34033203125	1.33

RECORD_TITLE:  MZ:407.2017 | RT:72.2 | grpid:625 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 407.20166015625
AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
XCMS groupid (grpid): 625
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
102.055419921875	29241.109375	5.9
104.053215026855	36839.7578125	7.44
109.02864074707	18452.52734375	3.72

276.108459472656	36373.86328125	7.34
293.534423828125	3759.82836914062	0.76
302.942840576172	3783.8955078125	0.76
344.885498046875	3337.09936523438	0.67

RECORD_TITLE:  MZ:414.2344 | RT:113.6 | grpid:641 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 414.234375
AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
XCMS groupid (grpid): 641
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
101.072120666504	3460.662109375	2.89
130.050003051758	23700.412109375	19.76
143.118316650391	6467.0634765625	5.39

227.102462768555	13762.5078125	11.47
244.129257202148	119940.1875	100
291.886047363281	3740.046875	3.12
299.767974853516	4064.77465820312	3.39

RECORD_TITLE:  MZ:417.2086 | RT:77.5 | grpid:651 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 417.208648681641
AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
XCMS groupid (grpid): 651
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
101.071632385254	21183.01171875	8.79
110.024345397949	4356.50732421875	1.81
115.050491333008	95092.8828125	39.44

325.152770996094	6104.4619140625	2.53
342.175933837891	6313.189453125	2.62
372.336669921875	3619.55493164062	1.5
382.172210693359	4940.5458984375	2.05

RECORD_TITLE:  MZ:422.249 | RT:77.3 | grpid:661 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 422.2490234375
AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322
XCMS groupid (grpid): 661
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055618286133	3558.69995117188	20.47
120.081420898438	3910.62768554688	22.49
132.10188293457	4685.72998046875	26.95

241.255187988281	3994.02172851562	22.97
243.135986328125	4222.09765625	24.28
339.154357910156	17388.83984375	100
387.176788330078	4423.681640625	25.44

RECORD_TITLE:  MZ:422.249 | RT:77.5 | grpid:661 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 422.248962402344
AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
XCMS groupid (grpid): 661
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
120.080558776855	4530.3798828125	17.86
132.1025390625	3071.50122070312	12.11
152.552886962891	3656.74609375	14.41

339.155120849609	25369.70703125	100
404.268035888672	3815.27880859375	15.04
438.548736572266	3631.70874023438	14.32
442.898986816406	3885.36962890625	15.31

RECORD_TITLE:  MZ:423.1868 | RT:84.2 | grpid:664 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 423.186798095703
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 664
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
101.071411132812	46732.83203125	5.16
102.055374145508	88983.625	9.83
103.054443359375	24983.80859375	2.76

258.108184814453	74684.1171875	8.25
276.116180419922	4201.1201171875	0.46
277.118377685547	22414.9140625	2.48
410.809265136719	3803.65478515625	0.42

RECORD_TITLE:  MZ:429.1367 | RT:71.2 | grpid:678 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 429.136749267578
AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
XCMS groupid (grpid): 678
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.719017028809	3763.74951171875	0.58
109.076683044434	18840.978515625	2.91
110.071876525879	18479.02734375	2.85

215.073211669922	13744.177734375	2.12
216.080032348633	237749.8125	36.67
217.347595214844	4307.0146484375	0.66
429.138000488281	48227.66796875	7.44

RECORD_TITLE:  MZ:429.1367 | RT:71.2 | grpid:678 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 429.136657714844
AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
XCMS groupid (grpid): 678
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
109.076507568359	22044.865234375	3.31
112.021881103516	66717.8671875	10.01
114.025039672852	16686.34765625	2.5

328.149810791016	4235.30517578125	0.64
429.136077880859	48445.8046875	7.27
429.189208984375	7144.87353515625	1.07
443.335296630859	3914.4736328125	0.59

RECORD_TITLE:  MZ:429.1368 | RT:71.4 | grpid:678 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 429.136810302734
AC$CHROMATOGRAPHY: RETENTION_TIME 71.396808
XCMS groupid (grpid): 678
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
100.022125244141	4625.44140625	0.64
109.076416015625	19346.69921875	2.69
110.071472167969	8704.068359375	1.21

214.063705444336	40155.98046875	5.58
215.072799682617	20763.31640625	2.88
216.080032348633	214835.734375	29.84
429.137145996094	43531.05078125	6.05

RECORD_TITLE:  MZ:429.1367 | RT:71.4 | grpid:678 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 429.136688232422
AC$CHROMATOGRAPHY: RETENTION_TIME 71.396808
XCMS groupid (grpid): 678
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
107.576271057129	4735.4990234375	0.59
109.07649230957	21691.41796875	2.68
110.071670532227	13312.728515625	1.65

215.072387695312	30280.93359375	3.74
216.080032348633	273273.9375	33.79
429.138336181641	53041.6484375	6.56
429.190673828125	6378.42626953125	0.79

RECORD_TITLE:  MZ:436.2162 | RT:113.6 | grpid:699 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 436.216247558594
AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
XCMS groupid (grpid): 699
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
114.550689697266	3498.04321289062	3.12
126.055046081543	4136.9013671875	3.69
198.05632019043	3261.10668945312	2.91

308.725555419922	3355.22119140625	3
391.194641113281	36035.12109375	32.18
419.187896728516	22114.62890625	19.75
436.216918945312	111983.46875	100

RECORD_TITLE:  MZ:437.26 | RT:82.7 | grpid:705 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 437.259979248047
AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066
XCMS groupid (grpid): 705
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
132.101959228516	26250.365234375	82.02
147.764419555664	3555.626953125	11.11
173.128616333008	14910.4609375	46.59

272.117065429688	3352.75439453125	10.48
338.132080078125	19161.25	59.87
434.605041503906	3691.54809570312	11.53
437.200073242188	32005.328125	100

RECORD_TITLE:  MZ:437.26 | RT:82.9 | grpid:705 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 437.260040283203
AC$CHROMATOGRAPHY: RETENTION_TIME 82.86993
XCMS groupid (grpid): 705
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
101.581962585449	3264.87109375	10.21
116.071166992188	3482.65063476562	10.89
132.102020263672	19473.271484375	60.91

319.409149169922	3631.1552734375	11.36
328.813140869141	3904.8525390625	12.21
338.132141113281	23234.115234375	72.68
437.202575683594	31969.298828125	100

RECORD_TITLE:  MZ:452.1902 | RT:112.8 | grpid:739 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 452.190155029297
AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446
XCMS groupid (grpid): 739
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
173.128677368164	4687.68310546875	10.24
242.185913085938	4649.87841796875	10.16
431.172515869141	3883.38818359375	8.48
452.188873291016	45768.69140625	100

RECORD_TITLE:  MZ:452.1902 | RT:113 | grpid:739 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 452.190155029297
AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
XCMS groupid (grpid): 739
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
102.97029876709	3784.47021484375	9.16
104.049896240234	3122.90185546875	7.56
116.335182189941	3076.12817382812	7.45
116.576026916504	2942.82885742188	7.12
173.128372192383	19179.625	46.43
183.460662841797	3233.1337890625	7.83
452.1904296875	41310.8359375	100

RECORD_TITLE:  MZ:461.2099 | RT:76.5 | grpid:757 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 461.209899902344
AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
XCMS groupid (grpid): 757
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
112.037246704102	77182.6015625	4.57
150.591278076172	5008.4482421875	0.3
153.052520751953	54224.6796875	3.21
194.079025268555	6284.025390625	0.37
224.089447021484	78458.5234375	4.65
242.099761962891	1689058.875	100

RECORD_TITLE:  MZ:461.2099 | RT:77.5 | grpid:757 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 461.209899902344
AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
XCMS groupid (grpid): 757
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
108.938446044922	3487.57153320312	0.29
110.10814666748	3973.40063476562	0.33
112.037155151367	50994.21484375	4.27

194.078918457031	4671.78271484375	0.39
224.089462280273	48872.16015625	4.09
242.09977722168	1194436.5	100
483.839416503906	4609.6552734375	0.39

RECORD_TITLE:  MZ:462.2188 | RT:57.7 | grpid:759 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 462.218811035156
AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356
XCMS groupid (grpid): 759
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
102.055290222168	25408.091796875	7.69
114.073616027832	4833.80419921875	1.46
115.087074279785	4629.81689453125	1.4

272.124145507812	107939.2109375	32.66
274.102722167969	5811.99951171875	1.76
288.119079589844	46286.41015625	14.01
359.028900146484	14643.9267578125	4.43

RECORD_TITLE:  MZ:476.1868 | RT:81.2 | grpid:787 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 476.186828613281
AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
XCMS groupid (grpid): 787
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
102.055404663086	20465.25	11.34
102.06177520752	3275.78784179688	1.82
103.278198242188	3364.96044921875	1.86

276.075775146484	5057.33740234375	2.8
292.791442871094	3937.0400390625	2.18
302.142669677734	24162.619140625	13.39
396.660095214844	3955.03051757812	2.19

RECORD_TITLE:  MZ:476.187 | RT:81.3 | grpid:787 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 476.186981201172
AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
XCMS groupid (grpid): 787
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
102.055328369141	20673.876953125	11.67
116.070785522461	22201.716796875	12.53
126.055053710938	32399.587890625	18.28

267.132629394531	3835.806640625	2.16
276.075805664062	5290.05908203125	2.99
301.139099121094	8046.48291015625	4.54
302.141845703125	19948.310546875	11.26

RECORD_TITLE:  MZ:476.187 | RT:81.3 | grpid:787 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 476.187042236328
AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
XCMS groupid (grpid): 787
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
102.055328369141	22602.8671875	8.37
103.568260192871	3338.787109375	1.24
109.02855682373	5442.65234375	2.02

301.139862060547	19206.294921875	7.11
302.141815185547	33403.7578125	12.37
360.640808105469	4196.35400390625	1.55
480.125091552734	3905.12133789062	1.45

RECORD_TITLE:  MZ:487.1776 | RT:66.7 | grpid:812 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 487.177612304688
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 812
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
103.690208435059	5716.66162109375	0.05
112.050834655762	10987300	100
174.621200561523	5244.80419921875	0.05
200.266555786133	5990.37744140625	0.05
244.092468261719	104115.34375	0.95
448.8837890625	6051.86181640625	0.06

RECORD_TITLE:  MZ:487.1779 | RT:66.9 | grpid:812 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 487.177856445312
AC$CHROMATOGRAPHY: RETENTION_TIME 66.865908
XCMS groupid (grpid): 812
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
112.050857543945	12582074	100
244.092895507812	124155.421875	0.99
294.906677246094	6473.75732421875	0.05

RECORD_TITLE:  MZ:494.1976 | RT:49.9 | grpid:830 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 494.197631835938
AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528
XCMS groupid (grpid): 830
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
102.055335998535	154721.296875	15
102.392883300781	3496.21337890625	0.34
108.04434967041	4591.63720703125	0.45

301.138977050781	93043.8828125	9.02
319.864624023438	4290.947265625	0.42
329.134429931641	7357.294921875	0.71
426.685913085938	4104.65283203125	0.4

RECORD_TITLE:  MZ:494.1976 | RT:50.1 | grpid:830 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 494.197631835938
AC$CHROMATOGRAPHY: RETENTION_TIME 50.0837946
XCMS groupid (grpid): 830
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
101.02392578125	4665.49853515625	0.46
102.05541229248	139830.640625	13.9
108.044906616211	7338.142578125	0.73

329.133361816406	18578.4765625	1.85
332.25048828125	4750.3056640625	0.47
342.581665039062	3982.03881835938	0.4
376.824645996094	3809.353515625	0.38

RECORD_TITLE:  MZ:498.1687 | RT:81.2 | grpid:840 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 498.168731689453
AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
XCMS groupid (grpid): 840
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
110.071174621582	19027.2734375	1.64
113.020904541016	9368.123046875	0.81
126.054611206055	5812.5556640625	0.5

369.126556396484	840579.1875	72.63
452.164520263672	46214.9140625	3.99
480.158355712891	21752.802734375	1.88
498.169158935547	1157278.375	100

RECORD_TITLE:  MZ:498.1689 | RT:81.3 | grpid:840 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 498.168914794922
AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
XCMS groupid (grpid): 840
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
106.049766540527	6611.89404296875	0.52
110.071022033691	19734.185546875	1.56
113.020729064941	9306.251953125	0.74

369.126617431641	931572.6875	73.6
452.164489746094	61435.125	4.85
480.157287597656	16194.7509765625	1.28
498.169281005859	1265792.25	100

RECORD_TITLE:  MZ:498.1697 | RT:81.3 | grpid:840 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 498.169708251953
AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
XCMS groupid (grpid): 840
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
101.778099060059	3795.03295898438	25.33
109.610725402832	3484.1552734375	23.26
159.81298828125	3442.19995117188	22.98

308.5830078125	4018.92358398438	26.83
311.841857910156	3540.38208007812	23.63
369.124267578125	5257.81591796875	35.1
498.169372558594	14981.3701171875	100

RECORD_TITLE:  MZ:499.2504 | RT:129.3 | grpid:843 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 499.250396728516
AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086
XCMS groupid (grpid): 843
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
118.086380004883	7052.74462890625	0.36
119.035583496094	4770.26611328125	0.24
137.045806884766	1959734	100

185.164245605469	6015.66552734375	0.31
188.177719116211	3627.47534179688	0.19
231.17024230957	75057.1484375	3.83
473.909973144531	4030.2705078125	0.21

RECORD_TITLE:  MZ:499.2504 | RT:129.5 | grpid:843 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 499.250396728516
AC$CHROMATOGRAPHY: RETENTION_TIME 129.525558
XCMS groupid (grpid): 843
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
110.034912109375	5403.05908203125	0.28
118.08659362793	4443.796875	0.23
137.045791625977	1921419.375	100

11:a90832e6acb2

RECORD_TITLE: MZ:112.0507 | RT:67.5 | grpid:12 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 112.050704956055
AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
112.050888061523	440629.6875	100

RECORD_TITLE: MZ:112.0507 | RT:67.6 | grpid:12 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 112.050743103027
AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
112.050880432129	565117.25	100
126.53768157959	2499.31469726562	0.44

RECORD_TITLE: MZ:113.0347 | RT:83.4 | grpid:14 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 113.034736633301
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 14
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
113.034782409668	13262784	100

RECORD_TITLE: MZ:113.0347 | RT:83.6 | grpid:14 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 113.034736633301
AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
XCMS groupid (grpid): 14
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
112.999992370605	67035.0703125	0.84
113.034805297852	7964904.5	100

RECORD_TITLE: MZ:113.0347 | RT:83.6 | grpid:14 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 113.034713745117
AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
XCMS groupid (grpid): 14
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
111.010963439941	2912.13012695312	1.32
113.000129699707	40987.0078125	18.63
113.008010864258	31639.541015625	14.38

113.070793151855	3284.5654296875	1.49
113.107765197754	7978.56494140625	3.63
122.0078125	3665.08813476562	1.67
133.994140625	1813.58288574219	0.82

RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070838928223
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
116.016784667969	3725.93701171875	3.82
116.070854187012	97631.5859375	100
116.107086181641	3945.32666015625	4.04

RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070831298828
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
103.129020690918	4419.71240234375	0.25
116.016410827637	5682.14404296875	0.32
116.070899963379	1782171	100
130.027648925781	4081.13793945312	0.23

RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070770263672
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
116.016830444336	14364.7841796875	9.61
116.070922851562	149471.265625	100
116.107421875	8359.9033203125	5.59

RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070816040039
AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
107.270111083984	1726.61291503906	1.71
116.016410827637	2890.4951171875	2.87
116.070892333984	100876.1328125	100
116.107200622559	2424.61303710938	2.4

RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070823669434
AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
116.070892333984	1847702.625	100

RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070785522461
AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
116.016609191895	4434.369140625	2.68
116.070899963379	165623.640625	100
116.107322692871	11372.48828125	6.87

RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101821899414
AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
117.877166748047	5004.6640625	1.83
132.101867675781	273406.25	100

RECORD_TITLE: MZ:132.1019 | RT:73.5 | grpid:41 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101867675781
AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
130.186950683594	121726.4453125	3.06
132.102035522461	3973065.5	100

RECORD_TITLE: MZ:132.1019 | RT:73.5 | grpid:41 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101852416992
AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
132.102142333984	77799.46875	100

RECORD_TITLE: MZ:132.1019 | RT:73.7 | grpid:41 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101852416992
AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
132.101989746094	402822.6875	100
144.278900146484	7715.68994140625	1.92
146.682891845703	7014.509765625	1.74

RECORD_TITLE: MZ:132.1018 | RT:73.7 | grpid:41 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101806640625
AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
104.964813232422	111113.6796875	3.34
132.102066040039	3328366.75	100

RECORD_TITLE: MZ:132.1019 | RT:73.7 | grpid:41 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 132.10188293457
AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
115.43724822998	2424.57958984375	3.61
132.102035522461	67118.03125	100

RECORD_TITLE: MZ:137.0457 | RT:127 | grpid:47 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 137.045669555664
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 47
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
110.03524017334	25444.263671875	4.06
112.051010131836	2055.68725585938	0.33
119.035636901855	19219.568359375	3.07
127.993309020996	1960.09631347656	0.31
136.124038696289	2269.25805664062	0.36
137.045867919922	626313	100
154.112442016602	2006.76232910156	0.32

RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 137.045639038086
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 47
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
104.860054016113	30638.400390625	0.09
110.028198242188	67928.296875	0.21
110.035293579102	1441146.625	4.36

119.035423278809	1085099.625	3.28
128.045852661133	75962.28125	0.23
137.045822143555	33090892	100
138.030548095703	43127.65234375	0.13

RECORD_TITLE: MZ:137.0457 | RT:127.2 | grpid:47 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 137.045669555664
AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454
XCMS groupid (grpid): 47
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
109.06566619873	2550.77392578125	0.31
110.035385131836	39166.78515625	4.69
112.050643920898	2451.17553710938	0.29
119.035369873047	30733.126953125	3.68
137.045852661133	835163	100
138.029312133789	2125.6455078125	0.25
159.283874511719	2343.61376953125	0.28

RECORD_TITLE: MZ:137.0456 | RT:127.2 | grpid:47 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 137.045623779297
AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454
XCMS groupid (grpid): 47
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
110.035171508789	541516.5625	4.44
112.050842285156	21607.146484375	0.18
119.020355224609	16488.48828125	0.14
119.035461425781	370753.6875	3.04
128.04508972168	18434.0234375	0.15
137.045776367188	12204322	100

RECORD_TITLE: MZ:138.0548 | RT:50.7 | grpid:48 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054763793945
AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
110.06037902832	154849	5.48
110.07154083252	10831.705078125	0.38
112.638984680176	2110.72314453125	0.07

138.054885864258	2827643.5	100
142.371643066406	2126.2236328125	0.08
149.295120239258	2391.84985351562	0.08
154.050003051758	4839.1943359375	0.17

RECORD_TITLE: MZ:138.0549 | RT:50.7 | grpid:48 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.05485534668
AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
110.060394287109	809952.625	6.12
110.07243347168	14605.1689453125	0.11
133.07551574707	8368.701171875	0.06
138.054916381836	13243313	100
154.049591064453	40592.00390625	0.31

RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054748535156
AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
104.561706542969	2237.48193359375	0.8
105.649337768555	1918.06628417969	0.69
110.060264587402	14235.369140625	5.1

140.059799194336	278945.53125	100
140.068283081055	34274.2890625	12.29
151.918930053711	2187.79418945312	0.78
154.676849365234	1895.96264648438	0.68

RECORD_TITLE: MZ:138.0548 | RT:50.7 | grpid:48 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312
AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
110.060348510742	36283.7578125	6.69
110.07194519043	2731.20166015625	0.5
138.018905639648	16821.951171875	3.1
138.055023193359	542459.3125	100

RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312
AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
110.060409545898	151747.359375	6.55
110.071807861328	12626.90234375	0.54
128.93376159668	2266.6416015625	0.1
136.491333007812	2493.95458984375	0.11
138.054901123047	2317689.75	100
154.049453735352	5643.62890625	0.24
159.010818481445	2415.3876953125	0.1

RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312
AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
110.060356140137	460011.53125	6.05
133.075698852539	4484.33251953125	0.06
138.054885864258	7605866.5	100
154.049728393555	24022.63671875	0.32

RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054824829102
AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
110.060348510742	4069.12109375	5.01
122.04337310791	4113.560546875	5.07
122.060043334961	10164.9873046875	12.53

140.059844970703	81146.265625	100
140.068984985352	20009.826171875	24.66
140.080047607422	3898.39721679688	4.8
140.11799621582	2213.65893554688	2.73

RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.054779052734
AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
107.285202026367	2362.6787109375	0.64
110.060592651367	32966.80859375	8.97
110.071556091309	3176.22973632812	0.86
138.017440795898	19174.861328125	5.22
138.05500793457	367633.15625	100
147.150115966797	2258.70825195312	0.61
154.634841918945	2410.57446289062	0.66

RECORD_TITLE: MZ:138.0488 | RT:127 | grpid:49 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.048767089844
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 49
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
110.035133361816	4197.11962890625	1.03
111.032066345215	2933.20043945312	0.72
111.03865814209	19436.671875	4.75
120.031585693359	3442.69409179688	0.84
120.038940429688	10890.13671875	2.66
131.267166137695	2650.74243164062	0.65
138.049896240234	408864.25	100

RECORD_TITLE: MZ:138.0488 | RT:126.4 | grpid:49 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.048797607422
AC$CHROMATOGRAPHY: RETENTION_TIME 126.441198
XCMS groupid (grpid): 49
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
111.032066345215	4279.24560546875	0.77
111.038848876953	24677.09765625	4.42
120.038902282715	18950.03125	3.39
137.396865844727	3584.59228515625	0.64
138.05012512207	558628.8125	100

RECORD_TITLE: MZ:140.0681 | RT:46.2 | grpid:51 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 140.068130493164
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 51
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
108.959754943848	2408.8056640625	0.09
114.089195251465	280537.40625	10.59
140.068115234375	2649786.75	100
143.032638549805	2735.88037109375	0.1

RECORD_TITLE: MZ:140.0681 | RT:46.3 | grpid:51 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 140.068084716797
AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
XCMS groupid (grpid): 51
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
114.089164733887	856653.625	10.81
140.068130493164	7923872	100

RECORD_TITLE: MZ:146.1175 | RT:46.2 | grpid:62 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 146.117492675781
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 62
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
101.070411682129	2306.69653320312	0.18
102.055847167969	2466.92114257812	0.19
118.065521240234	11230.220703125	0.86

130.049835205078	43469.9453125	3.31
130.086441040039	3820.66918945312	0.29
146.117553710938	1311766.875	100
147.075866699219	2905.49487304688	0.22

RECORD_TITLE: MZ:146.1173 | RT:46.2 | grpid:62 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 146.117309570312
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 62
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
100.021820068359	11993.6435546875	1.11
108.055770874023	9930.2236328125	0.92
118.06534576416	13944.4609375	1.3

146.028610229492	10309.349609375	0.96
146.059936523438	9525.1728515625	0.89
146.117538452148	1075921.125	100
150.785629272461	2500.5302734375	0.23

RECORD_TITLE: MZ:146.1174 | RT:46.3 | grpid:62 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 146.117416381836
AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
XCMS groupid (grpid): 62
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
108.055931091309	22471.4453125	0.13
112.465751647949	20960.951171875	0.12
128.070281982422	32862.80078125	0.19
144.766357421875	23252.271484375	0.13
146.117492675781	17260586	100

RECORD_TITLE: MZ:146.1174 | RT:46.3 | grpid:62 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 146.117370605469
AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
XCMS groupid (grpid): 62
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
100.021903991699	25367.83984375	9.16
108.055641174316	3113.50927734375	1.12
114.566963195801	2266.10009765625	0.82

130.049789428711	2536.23486328125	0.92
146.028137207031	3722.75390625	1.34
146.059906005859	12109.3056640625	4.37
146.117568969727	277069.8125	100

RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 147.043823242188
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 63
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
101.071250915527	3223.7529296875	0.09
102.047164916992	3041.80541992188	0.09
102.05525970459	4850.5537109375	0.14

130.086273193359	109294.3984375	3.22
147.043960571289	952724	28.03
147.112701416016	13311.6767578125	0.39
160.07568359375	11708.4287109375	0.34

RECORD_TITLE: MZ:147.0439 | RT:70.5 | grpid:63 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 147.043853759766
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 63
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
101.071273803711	4550.1181640625	0.14
103.048835754395	5009.00244140625	0.15
103.054618835449	202457.375	6.18

136.545654296875	2581.0390625	0.08
147.043960571289	978799.1875	29.86
147.112838745117	14170.591796875	0.43
160.075088500977	3768.91259765625	0.11

RECORD_TITLE: MZ:147.0438 | RT:70.6 | grpid:63 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 147.043838500977
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 63
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
101.071350097656	3549.74267578125	0.12
103.054641723633	188622.484375	6.21
112.236755371094	2519.7568359375	0.08

147.079299926758	12881.609375	0.42
147.112747192383	5908.45263671875	0.19
152.669158935547	2885.892578125	0.1
160.076049804688	3953.13061523438	0.13

RECORD_TITLE: MZ:147.0438 | RT:70.6 | grpid:63 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 147.043838500977
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 63
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
101.07152557373	2745.65698242188	0.08
102.055274963379	3918.08203125	0.12
103.054626464844	219682.390625	6.53

147.043991088867	928020.625	27.6
147.080383300781	14796.041015625	0.44
147.1123046875	5472.1298828125	0.16
160.076309204102	3128.19555664062	0.09

RECORD_TITLE: MZ:148.0426 | RT:64.4 | grpid:66 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 148.042587280273
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 66
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
102.001251220703	418360.65625	27.27
102.037628173828	26940.125	1.76
102.055305480957	31787.623046875	2.07

133.019241333008	31002.017578125	2.02
134.02668762207	3603.13940429688	0.23
148.042633056641	1333085.75	86.9
160.701766967773	2493.13793945312	0.16

RECORD_TITLE: MZ:148.0426 | RT:64.6 | grpid:66 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 148.042556762695
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 66
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
102.00122833252	571447.9375	28.8
102.037757873535	37633.34765625	1.9
102.055305480957	19940.044921875	1.01

133.019287109375	34545.609375	1.74
134.027465820312	5199.03125	0.26
148.042617797852	1724357.375	86.91
157.48600769043	2885.98486328125	0.15

RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 149.026306152344
AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956
XCMS groupid (grpid): 67
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
104.016586303711	38437.609375	1.57
109.031661987305	21351.47265625	0.87
111.011131286621	2452703.75	100

149.026306152344	1669850.25	68.08
152.037475585938	25918.962890625	1.06
153.007186889648	12562.2216796875	0.51
158.012786865234	17251.59375	0.7

RECORD_TITLE: MZ:149.0263 | RT:91.4 | grpid:67 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 149.026321411133
AC$CHROMATOGRAPHY: RETENTION_TIME 91.376562
XCMS groupid (grpid): 67
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
104.0166015625	32986.94921875	1.39
109.032051086426	26353.259765625	1.11
110.097152709961	2624.76928710938	0.11

149.026336669922	1653409.625	69.53
152.037338256836	21732.1015625	0.91
153.007202148438	10810.724609375	0.45
158.012619018555	19154.71875	0.81

RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 150.058166503906
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 68
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
101.579109191895	20766.212890625	0.15
102.055404663086	4154222.25	29.71
104.053276062012	13982832	100

133.031875610352	9440187	67.51
150.038681030273	92384.0703125	0.66
150.058349609375	1694299.125	12.12
155.097625732422	22783.2734375	0.16

RECORD_TITLE: MZ:150.0581 | RT:62.9 | grpid:68 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 150.058135986328
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 68
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
102.055458068848	51413.23828125	32.64
103.99649810791	3555.7119140625	2.26
104.053283691406	157500.5625	100

150.057998657227	17616.544921875	11.19
150.09162902832	3476.15454101562	2.21
150.112930297852	3834.1953125	2.43
150.127395629883	4024.62670898438	2.56

RECORD_TITLE: MZ:150.0581 | RT:63.1 | grpid:68 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 150.058135986328
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 68
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
102.055381774902	4631614.5	28.68
104.053237915039	16147574	100
105.000915527344	196574.15625	1.22
105.03719329834	273244.0625	1.69
133.031829833984	10814390	66.97
137.41633605957	30549.828125	0.19
150.058288574219	1973325.5	12.22

RECORD_TITLE: MZ:150.0581 | RT:63.1 | grpid:68 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 150.05810546875
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 68
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
102.055404663086	43694.5078125	32.97
103.997314453125	2148.16162109375	1.62
104.05322265625	132526.8125	100

150.057830810547	14816.9990234375	11.18
150.090744018555	4340.6669921875	3.28
150.112060546875	5071.3125	3.83
150.128646850586	2830.20849609375	2.14

RECORD_TITLE: MZ:153.0405 | RT:84.2 | grpid:72 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 153.040512084961
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
108.01936340332	17292.517578125	0.21
110.035232543945	2303313	28.45
121.812217712402	11519.919921875	0.14

136.01416015625	3711513	45.84
153.040679931641	8097173.5	100
154.024642944336	3409293.75	42.1
168.04069519043	26535.353515625	0.33

RECORD_TITLE: MZ:153.0403 | RT:84.2 | grpid:72 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 153.040344238281
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
100.120269775391	2219.037109375	0.27
107.085754394531	12394.3017578125	1.52
108.443885803223	2329.408203125	0.29

153.090744018555	15144.04296875	1.85
153.127243041992	12641.9697265625	1.55
154.02473449707	408579.875	49.99
158.011642456055	3504.88745117188	0.43

RECORD_TITLE: MZ:153.0405 | RT:84.4 | grpid:72 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 153.040512084961
AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
108.019828796387	20524.515625	0.24
110.035209655762	2289391.25	27.32
112.017875671387	11479.5869140625	0.14

153.040664672852	8379958	100
154.024627685547	3294023.75	39.31
168.039398193359	17989.896484375	0.21
168.052719116211	10959.2880859375	0.13

RECORD_TITLE: MZ:153.0404 | RT:84.4 | grpid:72 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 153.04035949707
AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
107.049018859863	2999.64233398438	0.2
107.085746765137	4260.4228515625	0.29
108.01944732666	4910.62548828125	0.34

153.090713500977	17066.05078125	1.16
153.127578735352	17128.626953125	1.17
154.024673461914	665563	45.41
165.999542236328	3401.4443359375	0.23

RECORD_TITLE: MZ:153.0406 | RT:84.4 | grpid:72 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 153.040557861328
AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
107.085655212402	9505.548828125	0.42
108.019424438477	4591.0361328125	0.2
109.101692199707	3338.82177734375	0.15

152.571792602539	2826.95971679688	0.12
153.04069519043	2264089.75	100
153.127258300781	6322.94384765625	0.28
154.024642944336	1115687.625	49.28

RECORD_TITLE: MZ:156.0767 | RT:47.7 | grpid:75 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
110.07160949707	359536.25	22.82
111.068382263184	255573.8125	16.22
111.074981689453	1575368.5	100

131.066284179688	24558.26171875	1.56
139.111953735352	3450.27368164062	0.22
157.045669555664	163497.828125	10.38
157.080718994141	271646.8125	17.24

RECORD_TITLE: MZ:156.0767 | RT:47.7 | grpid:75 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
110.071533203125	31565072	100
111.05542755127	171552.796875	0.54
112.052299499512	48860.02734375	0.15

138.065444946289	38444.44140625	0.12
139.050430297852	42066.9921875	0.13
156.042053222656	2798386.5	8.87
156.076690673828	4465763	14.15

RECORD_TITLE: MZ:156.0766 | RT:47.7 | grpid:75 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076614379883
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
110.071617126465	103266.5625	22.61
111.068412780762	74264.7734375	16.26
111.074989318848	456690.28125	100

157.080810546875	81711.703125	17.89
157.095642089844	4108.2177734375	0.9
157.09797668457	3605.6943359375	0.79
164.743133544922	2175.7744140625	0.48

RECORD_TITLE: MZ:156.0766 | RT:47.7 | grpid:75 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076599121094
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
105.050170898438	2555.24609375	1.03
108.688468933105	2078.55712890625	0.83
109.076301574707	5360.916015625	2.15

157.061416625977	2445.43505859375	0.98
157.080352783203	47631.3203125	19.12
157.097396850586	13967.23046875	5.61
174.818969726562	2215.97583007812	0.89

RECORD_TITLE: MZ:156.0767 | RT:48.6 | grpid:75 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076690673828
AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
110.071617126465	361957.15625	21.9
111.068450927734	254450.640625	15.39
111.074996948242	1653108.625	100

131.066818237305	17443.58203125	1.06
157.027359008789	2748.53442382812	0.17
157.045822143555	162176.234375	9.81
157.080718994141	300890.78125	18.2

RECORD_TITLE: MZ:156.0767 | RT:48.6 | grpid:75 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039
AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
110.071563720703	33750932	100
111.055366516113	157039.265625	0.47
112.052490234375	30169.251953125	0.09

138.065872192383	63303.015625	0.19
139.049819946289	71545.4921875	0.21
156.042083740234	2323007.5	6.88
156.076721191406	4835160	14.33

RECORD_TITLE: MZ:156.0766 | RT:48.6 | grpid:75 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076644897461
AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
110.071655273438	108305.28125	21.97
111.068428039551	76372.7890625	15.49
111.075019836426	493008.875	100

157.044326782227	3592.15795898438	0.73
157.08088684082	79274.4609375	16.08
157.120971679688	2555.38037109375	0.52
163.923477172852	2484.58447265625	0.5

RECORD_TITLE: MZ:156.0766 | RT:48.6 | grpid:75 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076553344727
AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
107.847686767578	2009.65563964844	0.82
109.076316833496	5142.29443359375	2.1
109.354393005371	2353.12231445312	0.96

157.061660766602	2687.189453125	1.1
157.080337524414	41752.5234375	17.06
157.097229003906	13970.564453125	5.71
175.968795776367	2350.83203125	0.96

RECORD_TITLE: MZ:158.0924 | RT:43.9 | grpid:77 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 158.092361450195
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 77
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.091850280762	34783.19921875	10.7
107.244758605957	2121.91967773438	0.65
110.07160949707	3791.80151367188	1.17

141.065841674805	12014.9599609375	3.69
158.092422485352	325199.53125	100
158.153823852539	69871.78125	21.49
159.077056884766	3031.5615234375	0.93

RECORD_TITLE: MZ:158.0924 | RT:44.1 | grpid:77 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 158.092376708984
AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488
XCMS groupid (grpid): 77
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
102.091728210449	38012.30078125	14
110.071365356445	5420.17724609375	2
112.079177856445	4014.5673828125	1.48

158.154037475586	81701.859375	30.1
158.583435058594	2426.4375	0.89
159.076904296875	3193.85131835938	1.18
159.090621948242	2369.67138671875	0.87

RECORD_TITLE: MZ:164.9301 | RT:40.2 | grpid:88 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 164.930053710938
AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702
XCMS groupid (grpid): 88
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
113.554153442383	2184.888671875	0.2
164.930191040039	1087757.25	100
165.09033203125	2780.28442382812	0.26

RECORD_TITLE: MZ:164.9301 | RT:40.3 | grpid:88 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 164.930099487305
AC$CHROMATOGRAPHY: RETENTION_TIME 40.331784
XCMS groupid (grpid): 88
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
140.266235351562	2726.23486328125	0.26
164.930282592773	1068471.625	100

RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 165.054473876953
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 89
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
103.047622680664	7486.65576171875	0.14
103.054641723633	223038.375	4.22
105.044769287109	26794.7265625	0.51

137.05973815918	109032.796875	2.06
147.043975830078	1008241.625	19.07
164.070602416992	15849.2646484375	0.3
165.054550170898	263223.46875	4.98

RECORD_TITLE: MZ:165.0544 | RT:70.5 | grpid:89 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 165.054412841797
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 89
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
103.054786682129	27086.0703125	3.95
109.065139770508	18075.359375	2.63
110.195671081543	2245.8408203125	0.33

137.0966796875	2327.9169921875	0.34
147.044006347656	127812.8203125	18.62
165.054626464844	38177.86328125	5.56
165.091033935547	3725.4970703125	0.54

RECORD_TITLE: MZ:165.0545 | RT:70.6 | grpid:89 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 165.054458618164
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 89
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
100.539291381836	3935.75927734375	0.04
103.054618835449	417247.46875	4.08
105.044906616211	40683.4765625	0.4

147.043930053711	1982656.25	19.4
160.074890136719	7089.93896484375	0.07
164.070022583008	30664.130859375	0.3
165.054534912109	567130.625	5.55

RECORD_TITLE: MZ:170.0923 | RT:61.4 | grpid:97 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092300415039
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
107.060882568359	13947.8642578125	0.27
109.076377868652	875055.4375	16.84
111.044410705566	4904.21484375	0.09

153.074935913086	12192.38671875	0.23
167.822860717773	2906.9189453125	0.06
170.092407226562	1208969.5	23.27
180.280914306641	3006.041015625	0.06

RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092178344727
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
107.060668945312	16450.158203125	0.28
109.076354980469	971361	16.31
121.661956787109	4326.87255859375	0.07

152.0810546875	13190.3134765625	0.22
153.064743041992	9025.560546875	0.15
153.075302124023	6579.4365234375	0.11
170.092330932617	1301886.75	21.86

RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092163085938
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
105.145324707031	2245.89477539062	0.1
105.334617614746	2476.71166992188	0.11
107.060562133789	4008.23803710938	0.18

161.57975769043	2614.66870117188	0.12
170.092407226562	508832.28125	23.3
176.97477722168	2473.40576171875	0.11
182.148513793945	2651.91015625	0.12

RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092239379883
AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
107.060768127441	15373.5869140625	0.24
109.076347351074	1060502.625	16.79
110.060234069824	4025.34326171875	0.06

170.092315673828	1509572.625	23.9
172.105773925781	3184.48876953125	0.05
175.105651855469	2735.99536132812	0.04
184.918167114258	2798.25317382812	0.04

RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092193603516
AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
107.060707092285	18156.0234375	0.31
109.07633972168	978256.6875	16.52
124.087051391602	5920406.5	100

153.065353393555	16031.298828125	0.27
161.486694335938	3798.95678710938	0.06
164.813598632812	4068.50659179688	0.07
170.092330932617	1292886.25	21.84

RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092163085938
AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
101.621025085449	2269.9384765625	0.09
107.060638427734	3229.0859375	0.13
109.076332092285	417766.28125	16.91

152.081909179688	4845.8095703125	0.2
153.064727783203	4441.82763671875	0.18
163.20768737793	2920.42114257812	0.12
170.092361450195	564725.8125	22.85

RECORD_TITLE: MZ:178.0585 | RT:45.4 | grpid:106 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 178.058502197266
AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
XCMS groupid (grpid): 106
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
105.042701721191	18699.494140625	1.23
132.053298950195	6451.77587890625	0.42
133.037292480469	317993.375	20.91

139.946014404297	3551.38818359375	0.23
160.047637939453	14908.2802734375	0.98
161.032012939453	5340.20654296875	0.35
178.058624267578	1521016.25	100

RECORD_TITLE: MZ:178.0585 | RT:45.5 | grpid:106 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 178.058502197266
AC$CHROMATOGRAPHY: RETENTION_TIME 45.5280288
XCMS groupid (grpid): 106
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
105.042724609375	14917.9775390625	0.99
119.994201660156	3506.71118164062	0.23
133.037322998047	331483.9375	22.1

160.048583984375	23262.9453125	1.55
161.032791137695	5786.8955078125	0.39
178.058654785156	1500183.125	100
182.990447998047	3695.43188476562	0.25

RECORD_TITLE: MZ:182.0809 | RT:70.5 | grpid:114 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 182.080947875977
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
103.054595947266	103726.984375	1.11
107.049354553223	97268.375	1.04
108.08130645752	17050.2421875	0.18

147.043884277344	1583597.75	16.96
164.071044921875	14618.810546875	0.16
165.054504394531	3043035.5	32.59
182.081039428711	308739.4375	3.31

RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 182.080978393555
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
100.320121765137	9264.521484375	0.14
103.054878234863	74545.140625	1.15
107.049629211426	51817.8359375	0.8

165.054626464844	2178420.75	33.66
171.065704345703	10540.208984375	0.16
182.080993652344	193054.875	2.98
203.00358581543	10252.1640625	0.16

RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 182.081024169922
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
113.060180664062	9484.7177734375	3.56
124.075897216797	266098.90625	100
124.999954223633	104344.8125	39.21

166.086441040039	27530.96875	10.35
167.060256958008	2652.03051757812	1
184.073364257812	148342.21875	55.75
184.096908569336	155832.015625	58.56

RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 182.081039428711
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
103.054618835449	198073.015625	1.2
107.049377441406	148026.125	0.9
108.081100463867	17804.21484375	0.11

147.0439453125	2737939.75	16.62
164.070251464844	15925.1796875	0.1
165.054565429688	5599976	34
182.081069946289	506954.8125	3.08

RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 182.080963134766
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
103.054634094238	77368.390625	1.14
107.049468994141	44136.1640625	0.65
109.065040588379	64803.7421875	0.95

164.658981323242	10550.29296875	0.15
165.054611206055	2230434.5	32.74
182.0810546875	217155.296875	3.19
186.324645996094	11166.697265625	0.16

RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 182.081008911133
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
104.10750579834	3364.56030273438	1.07
112.075828552246	2400.29663085938	0.77
113.059982299805	16064.193359375	5.13

184.073394775391	177200	56.54
184.097015380859	185418.65625	59.16
184.132873535156	5425.24560546875	1.73
187.940414428711	2508.79296875	0.8

RECORD_TITLE: MZ:189.1232 | RT:49.2 | grpid:127 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 189.123199462891
AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402
XCMS groupid (grpid): 127
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
115.086784362793	8240.8359375	2.82
116.070785522461	66374.9765625	22.72
118.086532592773	292157.0625	100

172.108306884766	6683.4912109375	2.29
183.845306396484	3709.67822265625	1.27
189.123382568359	82376.6484375	28.2
189.135848999023	52375.484375	17.93

RECORD_TITLE: MZ:189.1232 | RT:50.1 | grpid:127 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 189.12321472168
AC$CHROMATOGRAPHY: RETENTION_TIME 50.0837946
XCMS groupid (grpid): 127
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
115.08699798584	16498.677734375	14.45
116.070922851562	114139.1640625	100
118.086608886719	16398.6328125	14.37

189.122100830078	29789.7734375	26.1
189.136917114258	98533.8515625	86.33
189.159866333008	3757.07299804688	3.29
207.453216552734	2729.31713867188	2.39

RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 191.040237426758
AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
XCMS groupid (grpid): 131
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
120.065925598145	23138.59765625	3.5
128.386154174805	2485.62475585938	0.38
129.069854736328	2920.63305664062	0.44

173.029724121094	91503.421875	13.85
191.040328979492	525871.3125	79.61
191.076614379883	660586.1875	100
192.024291992188	2978.47924804688	0.45

RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 191.040237426758
AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
XCMS groupid (grpid): 131
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
102.055480957031	2989.11010742188	0.46
110.023178100586	4453.75390625	0.68
116.986175537109	3633.86962890625	0.56

156.448364257812	2624.12231445312	0.4
173.029830932617	100052.8125	15.37
191.040267944336	584111.625	89.74
191.076553344727	650886.125	100

RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 191.040191650391
AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
XCMS groupid (grpid): 131
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055397033691	6061.30029296875	0.19
111.853385925293	4386.8701171875	0.14
115.874839782715	4441.072265625	0.14

133.80451965332	5088.212890625	0.16
173.029708862305	610622	18.98
191.040267944336	3217774.75	100
191.076446533203	999525	31.06

RECORD_TITLE: MZ:192.0687 | RT:121.8 | grpid:134 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 192.06867980957
AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
XCMS groupid (grpid): 134
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
102.055397033691	3442.68041992188	4.92
104.053359985352	70038.1953125	100
133.031921386719	29066.0625	41.5

150.05842590332	24492.08984375	34.97
171.473907470703	2700.43920898438	3.86
181.562118530273	2402.322265625	3.43
193.007995605469	2239.99389648438	3.2

RECORD_TITLE: MZ:194.0325 | RT:45.4 | grpid:136 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 194.032531738281
AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
XCMS groupid (grpid): 136
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
103.315864562988	2078.95581054688	54.54
158.081451416016	3618.328125	94.92
194.032531738281	3812.11279296875	100

RECORD_TITLE: MZ:194.0325 | RT:45.5 | grpid:136 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 194.032531738281
AC$CHROMATOGRAPHY: RETENTION_TIME 45.5280288
XCMS groupid (grpid): 136
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
125.504974365234	2372.77172851562	68.39
141.887588500977	2384.751953125	68.73
146.027267456055	2972.51196289062	85.68
158.080490112305	2836.72119140625	81.76
194.032562255859	3469.51000976562	100

RECORD_TITLE: MZ:200.0405 | RT:43.9 | grpid:143 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 200.040481567383
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 143
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
117.042617797852	6342.0810546875	0.31
117.987678527832	68211.828125	3.37
127.032531738281	20582.015625	1.02

182.029312133789	6210.8779296875	0.31
183.013916015625	4510.1396484375	0.22
200.040573120117	2027070.25	100
207.421112060547	3210.24487304688	0.16

RECORD_TITLE: MZ:200.0405 | RT:44.1 | grpid:143 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 200.040496826172
AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488
XCMS groupid (grpid): 143
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
112.010238647461	2995.43188476562	0.14
117.042633056641	5056.5439453125	0.24
117.987663269043	71179.4375	3.38

154.035140991211	12319.0732421875	0.58
182.029663085938	4039.810546875	0.19
183.013336181641	3542.32104492188	0.17
200.040573120117	2105842.25	100

RECORD_TITLE: MZ:203.1388 | RT:72 | grpid:150 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 203.138809204102
AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
116.071075439453	28803.224609375	60.28
119.019195556641	2770.42236328125	5.8
125.07137298584	5385.11376953125	11.27

158.128875732422	15111.2236328125	31.63
161.096771240234	6781.66259765625	14.19
203.139312744141	47779.91796875	100
203.152862548828	19752.5390625	41.34

RECORD_TITLE: MZ:203.1388 | RT:72 | grpid:150 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 203.13883972168
AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
116.071235656738	12503.8623046875	3.04
130.085556030273	6449.21875	1.57
132.101974487305	411630.5	100

203.111068725586	10820.138671875	2.63
203.120208740234	7331.47412109375	1.78
203.138000488281	101691.2578125	24.7
204.817932128906	6029.38134765625	1.46

RECORD_TITLE: MZ:203.1389 | RT:72.2 | grpid:150 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 203.138854980469
AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
116.071044921875	37608.42578125	75.04
125.071907043457	3196.5478515625	6.38
133.09797668457	4579.9912109375	9.14

161.095993041992	11680.013671875	23.31
203.105590820312	6029.6064453125	12.03
203.135681152344	50118	100
203.152633666992	15789.306640625	31.5

RECORD_TITLE: MZ:203.1388 | RT:72.2 | grpid:150 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 203.138793945312
AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
110.816787719727	6078.2109375	1.77
110.913383483887	5809.0341796875	1.69
116.07071685791	9309.0751953125	2.71

161.096633911133	10988.53515625	3.2
203.110626220703	8525.052734375	2.48
203.137939453125	117729.3359375	34.26
211.507141113281	6815.84912109375	1.98

RECORD_TITLE: MZ:203.1389 | RT:72.2 | grpid:150 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 203.138854980469
AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
103.739540100098	2113.5478515625	3.41
116.07096862793	14099.0009765625	22.78
119.018844604492	3672.51025390625	5.93

161.095993041992	5141.3759765625	8.31
172.99494934082	2935.828125	4.74
203.152069091797	2885.97534179688	4.66
203.184020996094	3411.0810546875	5.51

RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 204.122802734375
AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
103.039390563965	2626.12426757812	0.95
106.385429382324	2630.47265625	0.96
109.029167175293	4650.36474609375	1.69

168.065872192383	5381.61962890625	1.95
204.106567382812	15382.0947265625	5.59
204.123031616211	275347.34375	100
204.139114379883	14696.998046875	5.34

RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 204.122817993164
AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
103.039367675781	21870.412109375	0.83
109.028549194336	4337.9482421875	0.17
116.070777893066	54983.8125	2.09

144.101837158203	389983.375	14.84
145.049468994141	1150196	43.76
186.09455871582	4524.0029296875	0.17
204.122924804688	2628368.75	100

RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 204.122848510742
AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
103.039352416992	4378.82373046875	0.71
117.07398223877	3667.59252929688	0.59
124.087196350098	21105.763671875	3.42

145.049530029297	242301.34375	39.28
156.445175170898	3308.63256835938	0.54
162.076110839844	5740.85400390625	0.93
204.122970581055	616905.6875	100

RECORD_TITLE: MZ:204.1228 | RT:56.9 | grpid:152 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 204.122817993164
AC$CHROMATOGRAPHY: RETENTION_TIME 56.9384052
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
103.039604187012	44728.91015625	0.48
103.384941101074	28550.306640625	0.31
113.250282287598	26210.8046875	0.28

144.101928710938	1344056.125	14.39
145.049514770508	4096653.75	43.86
173.963897705078	26845.693359375	0.29
204.123001098633	9339472	100

RECORD_TITLE: MZ:204.1229 | RT:56.9 | grpid:152 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 204.122863769531
AC$CHROMATOGRAPHY: RETENTION_TIME 56.9384052
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
101.024070739746	2549.65844726562	1.04
109.028610229492	9569.9111328125	3.9
110.023971557617	2709.85107421875	1.1

168.065170288086	16167.7177734375	6.59
186.075775146484	5275.0185546875	2.15
186.56770324707	2513.05346679688	1.02
204.122970581055	245349.390625	100

RECORD_TITLE: MZ:207.0141 | RT:41.8 | grpid:158 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 207.014144897461
AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645
XCMS groupid (grpid): 158
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
102.055213928223	14664.9248046875	10.68
104.992233276367	2625.12451171875	1.91
120.00316619873	3167.53002929688	2.31

207.034118652344	5699.5263671875	4.15
207.052230834961	15843.6455078125	11.54
207.098617553711	2919.48852539062	2.13
207.174377441406	3961.92211914062	2.88

RECORD_TITLE: MZ:214.0642 | RT:55.4 | grpid:172 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 214.064239501953
AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188
XCMS groupid (grpid): 172
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
100.022003173828	18210.814453125	0.48
112.021865844727	105520.359375	2.8
112.029098510742	4534.3564453125	0.12

170.074661254883	55442.0390625	1.47
197.064270019531	5371.8564453125	0.14
197.093124389648	3679.029296875	0.1
214.064468383789	307880.84375	8.16

RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 218.13850402832
AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
114.196754455566	2545.52612304688	48.44
115.673034667969	2175.73876953125	41.4
129.055801391602	2261.02172851562	43.02
132.102081298828	5255.5224609375	100
159.066177368164	2765.712890625	52.62
212.81819152832	2699.35546875	51.36
218.139175415039	3092.53271484375	58.84

RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 218.138473510742
AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
107.803031921387	3178.51293945312	0.64
118.970710754395	4064.91455078125	0.82
122.573120117188	3604.3974609375	0.73

159.065231323242	283091.5	57.4
161.370590209961	3884.79516601562	0.79
185.185729980469	3402.84643554688	0.69
218.138641357422	493206.28125	100

RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 218.138488769531
AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
102.753799438477	2581.81909179688	14.41
117.332885742188	2623.33911132812	14.64
121.065040588379	17920.083984375	100

159.066253662109	3710.74462890625	20.71
175.033752441406	2445.95654296875	13.65
201.022094726562	4046.00170898438	22.58
218.138198852539	8636.0166015625	48.19

RECORD_TITLE: MZ:218.1384 | RT:89.8 | grpid:180 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 218.138366699219
AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
103.819732666016	2238.61181640625	20.27
111.044364929199	2661.66918945312	24.1
115.333137512207	2948.8173828125	26.71

173.128204345703	2997.58325195312	27.15
218.139312744141	3500.55224609375	31.7
228.109329223633	2880.83715820312	26.09
235.270477294922	2572.39428710938	23.3

RECORD_TITLE: MZ:218.1385 | RT:89.8 | grpid:180 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 218.138458251953
AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
134.753372192383	3845.90234375	0.73
144.101928710938	78533.609375	14.94
159.065155029297	285395.5	54.31
175.136749267578	3432.48364257812	0.65
210.694976806641	3835.62744140625	0.73
218.07666015625	8092.6728515625	1.54
218.138702392578	525536.25	100

RECORD_TITLE: MZ:218.1385 | RT:89.8 | grpid:180 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 218.13850402832
AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
104.22509765625	2301.33154296875	10.31
121.064811706543	22311.3984375	100
124.039810180664	3055.17749023438	13.69
129.054977416992	3811.71557617188	17.08
130.108779907227	2328.74780273438	10.44
218.138671875	14387.341796875	64.48
231.611038208008	2540.31982421875	11.39

RECORD_TITLE: MZ:219.1337 | RT:84.2 | grpid:182 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 219.133682250977
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 182
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
117.065925598145	4331.37890625	0.21
119.085418701172	4587.7412109375	0.23
121.101333618164	5698.80517578125	0.28

202.754135131836	3789.76586914062	0.19
203.142944335938	95550.71875	4.72
219.133941650391	199327.734375	9.85
219.174087524414	297299.6875	14.7

RECORD_TITLE: MZ:219.1337 | RT:83.6 | grpid:182 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 219.133697509766
AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
XCMS groupid (grpid): 182
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
105.063270568848	4203.001953125	0.18
110.096893310547	4522.54443359375	0.19
112.11270904541	5338.60205078125	0.23

203.142913818359	105523.640625	4.48
219.134048461914	212437.609375	9.01
219.174209594727	327119.375	13.88
222.249847412109	3721.74389648438	0.16

RECORD_TITLE: MZ:227.1137 | RT:46.9 | grpid:199 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 227.113693237305
AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
XCMS groupid (grpid): 199
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
109.063865661621	3976.69848632812	0.08
110.071578979492	5157183.5	100
111.055458068848	18864.41796875	0.37

209.103057861328	75399.5703125	1.46
210.087188720703	912743.5625	17.7
224.923370361328	3780.64306640625	0.07
227.113647460938	218042	4.23

RECORD_TITLE: MZ:227.1135 | RT:46.9 | grpid:199 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 227.113494873047
AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
XCMS groupid (grpid): 199
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
110.071594238281	3455085.75	100
111.055381774902	8208.2998046875	0.24
112.087005615234	30480.38671875	0.88

209.10546875	52783.671875	1.53
210.087188720703	606993.0625	17.57
227.097503662109	23334.078125	0.68
227.117202758789	104483.0078125	3.02

RECORD_TITLE: MZ:227.1137 | RT:47.1 | grpid:199 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 227.113677978516
AC$CHROMATOGRAPHY: RETENTION_TIME 47.0589156
XCMS groupid (grpid): 199
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
109.063323974609	4221.65771484375	0.07
110.07154083252	5798238	100
111.055290222168	20111.91796875	0.35

198.087158203125	73449.0859375	1.27
209.103179931641	67038.6328125	1.16
210.087127685547	946560.0625	16.32
227.113571166992	237832.515625	4.1

RECORD_TITLE: MZ:227.1135 | RT:47.1 | grpid:199 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 227.113540649414
AC$CHROMATOGRAPHY: RETENTION_TIME 47.0589156
XCMS groupid (grpid): 199
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
110.071632385254	4015777.25	100
112.087242126465	22876.357421875	0.57
116.062522888184	5434.8310546875	0.14

198.102767944336	5951.31640625	0.15
209.104507446289	41406.42578125	1.03
210.087265014648	682425.875	16.99
227.117202758789	149649.421875	3.73

RECORD_TITLE: MZ:229.1545 | RT:110.4 | grpid:205 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469
AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
124.07585144043	3996.03637695312	1.8
132.102279663086	2883.22509765625	1.3
142.086273193359	59200.7578125	26.68
229.154678344727	221890.109375	100

RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154418945312
AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
113.684791564941	2837.75732421875	0.09
114.055213928223	88155.328125	2.91
114.091705322266	33237.31640625	1.1

163.416748046875	3224.02270507812	0.11
170.0810546875	53706.90625	1.77
183.11279296875	157506.125	5.2
229.154556274414	3026336.75	100

RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154434204102
AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
112.469497680664	3008.18212890625	0.15
114.055252075195	58211.37109375	2.92
114.091743469238	20295.462890625	1.02

170.081069946289	27404.93359375	1.38
183.112686157227	70423.03125	3.53
188.466903686523	2877.20971679688	0.14
229.154541015625	1992422	100

RECORD_TITLE: MZ:229.1545 | RT:110.4 | grpid:205 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469
AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
108.366012573242	2389.92602539062	8.14
115.646865844727	2582.40161132812	8.8
228.946487426758	2862.51293945312	9.76
229.154830932617	29343.333984375	100

RECORD_TITLE: MZ:229.1545 | RT:110.6 | grpid:205 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154495239258
AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
110.449501037598	2561.81323242188	1.06
114.05534362793	5061.34375	2.1
142.086364746094	54889.66015625	22.8

172.763061523438	2237.0029296875	0.93
174.426773071289	2692.06103515625	1.12
229.154678344727	240741.890625	100
229.234664916992	3307.47534179688	1.37

RECORD_TITLE: MZ:229.1544 | RT:110.6 | grpid:205 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154403686523
AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
111.823776245117	3158.60302734375	0.08
114.05517578125	133561.359375	3.56
114.09156036377	56416.01171875	1.5

155.117919921875	16436.8359375	0.44
170.080856323242	60972.6015625	1.63
183.112701416016	201120.578125	5.36
229.154495239258	3749332.75	100

RECORD_TITLE: MZ:229.1544 | RT:110.6 | grpid:205 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154434204102
AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
114.055229187012	60647.390625	2.82
114.091636657715	25895.21484375	1.21
116.070693969727	16604.19921875	0.77

183.112716674805	82691.453125	3.85
200.034515380859	3440.39624023438	0.16
211.416717529297	2697.9521484375	0.13
229.154586791992	2148494.25	100

RECORD_TITLE: MZ:229.1545 | RT:110.6 | grpid:205 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469
AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
226.508209228516	2416.11083984375	10.15
229.154418945312	23813.91015625	100

RECORD_TITLE: MZ:230.1385 | RT:116.8 | grpid:206 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 230.138534545898
AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
129.741027832031	2646.4072265625	4.45
142.085998535156	3789.9736328125	6.37
143.090148925781	6127.15771484375	10.3

171.065704345703	18404.42578125	30.94
181.609985351562	2270.83032226562	3.82
230.138336181641	16945.2265625	28.49
230.158309936523	59480.609375	100

RECORD_TITLE: MZ:230.1384 | RT:116.8 | grpid:206 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 230.138412475586
AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
100.23999786377	2375.47680664062	3.67
134.948608398438	2629.12426757812	4.06
144.102401733398	5664.46728515625	8.75

230.074829101562	3314.45288085938	5.12
230.138198852539	64708.8984375	100
230.157638549805	8235.0732421875	12.73
252.623626708984	2589.5390625	4

RECORD_TITLE: MZ:230.1385 | RT:117 | grpid:206 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 230.13850402832
AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
121.085006713867	2832.43310546875	4.35
142.08625793457	4096.91064453125	6.3
143.027862548828	2362.39404296875	3.63
143.089935302734	6177.53173828125	9.5
171.065704345703	9980.953125	15.34
230.138427734375	11488.73828125	17.66
230.157989501953	65046.7734375	100

RECORD_TITLE: MZ:230.1384 | RT:117 | grpid:206 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 230.138442993164
AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
103.442092895508	2566.20703125	9.14
154.53678894043	2769.9482421875	9.87
171.06477355957	25066.97265625	89.31
199.904586791992	2728.13745117188	9.72
230.13835144043	28067.6171875	100

RECORD_TITLE: MZ:230.1384 | RT:117 | grpid:206 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 230.138442993164
AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
118.637107849121	2638.11669921875	2.56
133.330627441406	2652.22534179688	2.57
139.023971557617	2837.33520507812	2.75

204.917419433594	2715.51708984375	2.64
230.046417236328	4664.95068359375	4.53
230.138137817383	103036.0625	100
230.155090332031	8631.9453125	8.38

RECORD_TITLE: MZ:231.1699 | RT:130.8 | grpid:209 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 231.169937133789
AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
XCMS groupid (grpid): 209
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
111.466903686523	3197.19702148438	13.95
116.07112121582	3271.9736328125	14.27
118.086364746094	22924.626953125	100
132.357925415039	2541.77392578125	11.09
179.655456542969	2593.84716796875	11.31
185.16487121582	4451.75	19.42
231.170959472656	13349.1865234375	58.23

RECORD_TITLE: MZ:231.1699 | RT:131.1 | grpid:209 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 231.169860839844
AC$CHROMATOGRAPHY: RETENTION_TIME 131.148558
XCMS groupid (grpid): 209
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
116.427024841309	2544.30590820312	8.85
118.086326599121	28757.314453125	100
134.190277099609	2779.22607421875	9.66
185.16487121582	11899.6162109375	41.38
231.170867919922	12690.720703125	44.13
242.216293334961	3109.39599609375	10.81

RECORD_TITLE: MZ:233.1493 | RT:66.7 | grpid:214 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149276733398
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055320739746	46058.9453125	28.46
120.06568145752	161852.859375	100
130.049957275391	20183.56640625	12.47

215.138961791992	18780.240234375	11.6
220.911285400391	2972.72998046875	1.84
230.603881835938	2980.03857421875	1.84
233.149765014648	42429.27734375	26.21

RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149154663086
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
102.055374145508	86910.296875	28.65
120.065704345703	303368.0625	100
130.049865722656	77713.6015625	25.62

152.107040405273	6148.76708984375	2.03
187.143295288086	7237.05029296875	2.39
215.139175415039	48739.20703125	16.07
233.149841308594	30125.052734375	9.93

RECORD_TITLE: MZ:233.1491 | RT:66.7 | grpid:214 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149139404297
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
101.071334838867	100605.4296875	17.83
113.071434020996	4531.82373046875	0.8
113.487442016602	3021.54858398438	0.54

215.139007568359	55979.66796875	9.92
227.10466003418	2925.60131835938	0.52
233.149459838867	93581.796875	16.58
233.250183105469	2942.49877929688	0.52

RECORD_TITLE: MZ:233.1493 | RT:66.7 | grpid:214 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149337768555
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
101.071556091309	2493.814453125	7.69
124.502639770508	2984.603515625	9.2
128.410537719727	2174.90502929688	6.71

187.144561767578	15544.0390625	47.92
215.140716552734	3567.82348632812	11
233.149673461914	5084.97900390625	15.68
253.858108520508	2743.083984375	8.46

RECORD_TITLE: MZ:233.1493 | RT:67.6 | grpid:214 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149291992188
AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
102.055397033691	51696.87890625	30.83
108.190528869629	2962.69165039062	1.77
119.28791809082	3011.89086914062	1.8

172.952362060547	7278.1767578125	4.34
187.143920898438	4654.2177734375	2.78
215.138793945312	25857.91796875	15.42
233.14973449707	36328.3828125	21.66

RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 233.14924621582
AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
102.055374145508	93276.1875	32.65
120.06575012207	285714.625	100
130.050003051758	69039.71875	24.16

206.64485168457	4463.98486328125	1.56
210.353286743164	5293.15966796875	1.85
215.139358520508	40721.81640625	14.25
233.149688720703	38054.04296875	13.32

RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149185180664
AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
101.071342468262	97423.7578125	16.65
102.055519104004	4149.83447265625	0.71
102.568023681641	2694.57568359375	0.46

215.139099121094	49366.75	8.44
226.9541015625	2955.89013671875	0.51
233.149444580078	86856.4140625	14.84
233.187530517578	3770.36254882812	0.64

RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 233.14924621582
AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
125.827949523926	2453.33764648438	9.08
132.101837158203	27032.3515625	100
133.954803466797	2418.62817382812	8.95
142.123184204102	2863.05541992188	10.59
187.144226074219	16553.251953125	61.23
233.150588989258	3492.63256835938	12.92
233.190063476562	2942.85205078125	10.89

RECORD_TITLE: MZ:244.9539 | RT:41 | grpid:234 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 244.953887939453
AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952
XCMS groupid (grpid): 234
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
104.992713928223	340494.65625	100
134.018981933594	6148.11669921875	1.81
162.950485229492	3323.24096679688	0.98

186.911956787109	77847.96875	22.86
186.995681762695	4629.24658203125	1.36
204.922775268555	61411.63671875	18.04
216.667694091797	2451.92456054688	0.72

RECORD_TITLE: MZ:244.9538 | RT:41.1 | grpid:234 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 244.953842163086
AC$CHROMATOGRAPHY: RETENTION_TIME 41.0984136
XCMS groupid (grpid): 234
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
104.992698669434	416298.96875	100
104.999923706055	7185.41552734375	1.73
134.019241333008	22449.341796875	5.39

183.394256591797	2706.86157226562	0.65
186.912048339844	68123.859375	16.36
186.99592590332	4615.99462890625	1.11
204.922622680664	49536.19921875	11.9

RECORD_TITLE: MZ:245.0764 | RT:83.4 | grpid:235 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 245.076446533203
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 235
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
102.847290039062	7233.47998046875	0.33
103.039291381836	12718.3603515625	0.58
113.034873962402	2177657.75	100

127.821929931641	6439.4697265625	0.3
133.049758911133	79959.2890625	3.67
183.691345214844	6732.88623046875	0.31
245.160766601562	16266.2109375	0.75

RECORD_TITLE: MZ:245.0765 | RT:83.6 | grpid:235 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 245.076461791992
AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
XCMS groupid (grpid): 235
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
103.039436340332	8101.8408203125	0.42
113.034912109375	1941275.5	100
115.039443969727	48567.2734375	2.5

149.172576904297	5415.865234375	0.28
158.082015991211	5685.69775390625	0.29
245.160354614258	20578.3828125	1.06
269.657653808594	5373.13623046875	0.28

RECORD_TITLE: MZ:246.1445 | RT:56 | grpid:238 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 246.14453125
AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412
XCMS groupid (grpid): 238
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
100.075866699219	14307.3046875	1.48
101.071304321289	77612.53125	8.03
101.107765197754	13628.1044921875	1.41

229.153762817383	7065.13134765625	0.73
246.055068969727	24465.38671875	2.53
246.142868041992	33020.84375	3.42
246.180923461914	44765.84375	4.63

RECORD_TITLE: MZ:246.1446 | RT:56.2 | grpid:238 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 246.144577026367
AC$CHROMATOGRAPHY: RETENTION_TIME 56.1655458
XCMS groupid (grpid): 238
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
100.076126098633	13507.232421875	1.34
101.071449279785	79448.5546875	7.91
101.10791015625	12414.9365234375	1.24

246.14274597168	40747.77734375	4.05
246.180313110352	44600.65625	4.44
246.202621459961	5074.580078125	0.5
262.875	3137.12841796875	0.31

RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 247.128524780273
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
101.071533203125	4915.9921875	2.23
102.055526733398	17999.03515625	8.16
112.087356567383	18231.693359375	8.27

229.119094848633	17402.88671875	7.89
247.04118347168	6746.8359375	3.06
247.12890625	16844.4296875	7.64
247.185424804688	4080.24975585938	1.85

RECORD_TITLE: MZ:247.1286 | RT:62.9 | grpid:241 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 247.128555297852
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
109.101608276367	2677.603515625	10.74
112.037132263184	24922.798828125	100
126.405822753906	2260.37182617188	9.07

232.068283081055	2996.47729492188	12.02
249.095306396484	18998.556640625	76.23
249.184753417969	6276.87939453125	25.19
253.000381469727	2692.25341796875	10.8

RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 247.128494262695
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
100.039733886719	12922.361328125	3
110.016410827637	4399.591796875	1.02
110.023979187012	105860	24.6

212.091552734375	80220.359375	18.65
229.118896484375	12313.20703125	2.86
247.129196166992	18728.529296875	4.35
247.165390014648	5324.00341796875	1.24

RECORD_TITLE: MZ:247.1286 | RT:63.1 | grpid:241 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 247.128570556641
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
102.055419921875	13477.2587890625	6.38
112.087196350098	21468.986328125	10.16
118.086456298828	211227.515625	100

247.043273925781	11689.3798828125	5.53
247.066665649414	4645.0556640625	2.2
247.128723144531	19147.109375	9.06
247.185501098633	4294.36669921875	2.03

RECORD_TITLE: MZ:247.1284 | RT:63.1 | grpid:241 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 247.12841796875
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
109.10139465332	3096.30078125	17.6
111.782005310059	2370.93627929688	13.48
112.037254333496	16103.5498046875	91.54

232.072952270508	2832.11767578125	16.1
238.186141967773	2708.92797851562	15.4
249.096389770508	13837.796875	78.66
249.184692382812	3012.81860351562	17.13

RECORD_TITLE: MZ:247.1285 | RT:63.1 | grpid:241 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 247.128540039062
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.039810180664	16230.130859375	2.51
100.129455566406	3088.31616210938	0.48
109.224807739258	3134.384765625	0.48

214.482971191406	3311.51025390625	0.51
229.118530273438	14333.751953125	2.21
247.128860473633	24032.13671875	3.71
247.165985107422	4345.8564453125	0.67

RECORD_TITLE: MZ:249.0956 | RT:43.9 | grpid:246 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 249.095626831055
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 246
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
100.417434692383	3012.53979492188	0.25
110.071434020996	52747.71484375	4.38
112.03719329834	1204596.875	100

203.09098815918	35861.9765625	2.98
232.06901550293	202170.046875	16.78
249.095581054688	864044.125	71.73
256.981597900391	3960.87768554688	0.33

RECORD_TITLE: MZ:249.0956 | RT:44.1 | grpid:246 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 249.095642089844
AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488
XCMS groupid (grpid): 246
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
102.05534362793	5758.3828125	0.61
110.071769714355	39500.23828125	4.2
112.037246704102	940339.1875	100

201.074554443359	5955.5576171875	0.63
203.089859008789	23535.162109375	2.5
232.069076538086	151738.125	16.14
249.095672607422	689680.875	73.34

RECORD_TITLE: MZ:253.1518 | RT:130.8 | grpid:254 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 253.151809692383
AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
XCMS groupid (grpid): 254
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
107.091743469238	2954.37670898438	3.89
110.071716308594	33523.06640625	44.11
120.081520080566	3132.15551757812	4.12

156.076873779297	3850.58935546875	5.07
200.121810913086	2855.59790039062	3.76
235.118896484375	4956.2041015625	6.52
253.152420043945	75993.6953125	100

RECORD_TITLE: MZ:253.1517 | RT:131.1 | grpid:254 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 253.151733398438
AC$CHROMATOGRAPHY: RETENTION_TIME 131.148558
XCMS groupid (grpid): 254
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
107.339874267578	2320.88403320312	2.8
110.071655273438	38185.00390625	46.14
115.528038024902	2485.31811523438	3

193.291427612305	2772.30908203125	3.35
212.793746948242	3007.59448242188	3.63
235.118835449219	4806.6279296875	5.81
253.152038574219	82753.3125	100

RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
101.07137298584	280288.875	6.67
101.107879638672	14493.677734375	0.34
102.055473327637	40350.5546875	0.96

242.186050415039	9920.556640625	0.24
243.13330078125	58166.73828125	1.38
260.160217285156	158789.859375	3.78
260.195007324219	65784.90625	1.57

RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160003662109
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
101.07137298584	224546.640625	8.01
102.055267333984	29658.279296875	1.06
112.051231384277	7085.35498046875	0.25

231.508926391602	8413.22265625	0.3
243.133453369141	64434.46875	2.3
260.160186767578	128216.2578125	4.57
260.197235107422	14137.32421875	0.5

RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
101.071243286133	21230.083984375	5.44
102.055603027344	3450.02783203125	0.88
115.086975097656	46859.32421875	12

197.128952026367	11657.0009765625	2.99
243.133834838867	14146.515625	3.62
260.159088134766	20881.486328125	5.35
260.196716308594	5354.4638671875	1.37

RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
101.071380615234	133178.875	17.3
101.107894897461	24495.18359375	3.18
112.039588928223	4506.56640625	0.59

257.604095458984	4091.0478515625	0.53
260.1064453125	5038.6826171875	0.65
260.196746826172	36750.984375	4.77
284.158905029297	4032.54028320312	0.52

RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
101.071250915527	18589.9921875	17.74
101.107902526855	4691.70458984375	4.48
117.731323242188	2677.47290039062	2.56

243.134033203125	18298.615234375	17.47
243.169830322266	12057.4189453125	11.51
254.267532348633	3362.4521484375	3.21
260.196075439453	14846.7978515625	14.17

RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160095214844
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
101.07137298584	186066.078125	17.82
101.107734680176	6916.6748046875	0.66
111.05541229248	3971.5546875	0.38

243.171524047852	14989.9306640625	1.44
260.160430908203	7387.98095703125	0.71
260.19677734375	15505.5068359375	1.49
280.563995361328	3548.77075195312	0.34

RECORD_TITLE: MZ:260.1602 | RT:64.6 | grpid:268 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.16015625
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
101.07137298584	78079.046875	7.39
101.108123779297	4978.68017578125	0.47
102.055351257324	6781.66162109375	0.64

243.1328125	14557.9892578125	1.38
243.371932983398	3638.29248046875	0.34
260.160797119141	29067.166015625	2.75
260.195587158203	24704.6015625	2.34

RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
101.071365356445	273174.84375	5.97
101.108093261719	12095.40625	0.26
102.05549621582	42987.79296875	0.94

243.133361816406	71680.4296875	1.57
249.004531860352	8383.3125	0.18
260.160278320312	153376.6875	3.35
260.196014404297	57948.74609375	1.27

RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160064697266
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
100.075759887695	4655.73388671875	0.33
101.071403503418	99811.4140625	7
102.055648803711	22510.1015625	1.58

226.106857299805	10009.373046875	0.7
243.133804321289	43609.92578125	3.06
260.160064697266	64525.95703125	4.53
260.198547363281	14836.2451171875	1.04

RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160064697266
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
101.071304321289	23766.716796875	5.74
115.086822509766	50466.89453125	12.19
118.08674621582	22815.67578125	5.51

242.148422241211	4731.291015625	1.14
243.132232666016	5274.1142578125	1.27
260.160064697266	14618.138671875	3.53
260.19677734375	5998.279296875	1.45

RECORD_TITLE: MZ:260.16 | RT:64.6 | grpid:268 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
101.071464538574	61937.484375	13.05
101.107734680176	20074.541015625	4.23
129.065963745117	151079.796875	31.83

242.149765014648	474582.46875	100
243.1337890625	92873.828125	19.57
243.169296264648	28631.462890625	6.03
260.1962890625	27617.501953125	5.82

RECORD_TITLE: MZ:260.16 | RT:64.6 | grpid:268 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.159973144531
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
101.071571350098	19042.111328125	15.08
101.107795715332	10821.4755859375	8.57
113.813926696777	2932.15478515625	2.32

242.149765014648	126271.609375	100
243.134399414062	21099.544921875	16.71
243.170593261719	14233.880859375	11.27
260.197143554688	17110.69921875	13.55

RECORD_TITLE: MZ:263.196 | RT:74.3 | grpid:278 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 263.196014404297
AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424
XCMS groupid (grpid): 278
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
104.229377746582	2670.97973632812	20.32
125.071014404297	2436.50610351562	18.53
126.956985473633	2508.49682617188	19.08

162.076217651367	4974.1162109375	37.84
181.096832275391	4266.16552734375	32.45
199.108200073242	13146.6943359375	100
215.066757202148	2878.05126953125	21.89

RECORD_TITLE: MZ:263.1961 | RT:74.5 | grpid:278 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 263.196075439453
AC$CHROMATOGRAPHY: RETENTION_TIME 74.45592
XCMS groupid (grpid): 278
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
102.054862976074	2515.89672851562	15.73
107.425888061523	3018.11962890625	18.88
115.45637512207	3103.68212890625	19.41

171.07600402832	5756.02001953125	36
181.097198486328	4367.5654296875	27.31
199.107574462891	15989.814453125	100
263.089477539062	2743.9130859375	17.16

RECORD_TITLE: MZ:265.0696 | RT:46.2 | grpid:282 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 265.069580078125
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 282
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
100.917625427246	6046.6025390625	8.42
114.893188476562	23901.982421875	33.29
120.00350189209	50695.48046875	70.6

207.051803588867	15503.8115234375	21.59
218.967727661133	12146.615234375	16.92
221.051132202148	15837.3603515625	22.05
265.072113037109	5118.56787109375	7.13

RECORD_TITLE: MZ:265.0697 | RT:46.3 | grpid:282 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 265.069671630859
AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
XCMS groupid (grpid): 282
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
100.917533874512	5757.15771484375	7.77
114.893119812012	28334.666015625	38.23
116.069046020508	2184.07983398438	2.95

207.051879882812	13559.623046875	18.3
218.968139648438	6251.12109375	8.43
221.050872802734	15376.314453125	20.75
265.073425292969	5123.87353515625	6.91

RECORD_TITLE: MZ:268.9983 | RT:42.4 | grpid:298 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 268.998260498047
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 298
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
104.992698669434	3048620	100
112.89591217041	40926.08984375	1.34
123.003486633301	4431.7578125	0.15

192.990859985352	3744.81689453125	0.12
204.922805786133	30499.603515625	1
269.039306640625	5043.013671875	0.17
269.111785888672	15881.720703125	0.52

RECORD_TITLE: MZ:268.9983 | RT:42.6 | grpid:298 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 268.998291015625
AC$CHROMATOGRAPHY: RETENTION_TIME 42.5736636
XCMS groupid (grpid): 298
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
104.992706298828	1722148.25	100
112.896064758301	66524.015625	3.86
113.738670349121	3244.43115234375	0.19

269.085510253906	8565.349609375	0.5
269.111450195312	15712.990234375	0.91
273.454193115234	2715.39135742188	0.16
276.519256591797	3091.81103515625	0.18

RECORD_TITLE: MZ:271.0771 | RT:43.2 | grpid:301 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 271.077117919922
AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192
XCMS groupid (grpid): 301
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
100.798370361328	2806.00366210938	6.63
110.071617126465	42341.19921875	100
111.075332641602	3045.94897460938	7.19

219.839691162109	3130.17553710938	7.39
253.066848754883	4060.8232421875	9.59
253.091262817383	3481.53759765625	8.22
271.077209472656	13609.072265625	32.14

RECORD_TITLE: MZ:271.0772 | RT:43.3 | grpid:301 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 271.077239990234
AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116
XCMS groupid (grpid): 301
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
110.071556091309	39801.6875	100
111.075408935547	2643.5830078125	6.64
117.264106750488	3449.95263671875	8.67

253.068557739258	3641.54418945312	9.15
253.093139648438	4878.31689453125	12.26
254.050476074219	4631.060546875	11.64
271.078033447266	15260.291015625	38.34

RECORD_TITLE: MZ:272.1712 | RT:59.1 | grpid:303 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 272.171234130859
AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
XCMS groupid (grpid): 303
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
100.07633972168	3624.96484375	0.64
110.071624755859	6275.3115234375	1.11
112.087265014648	175758.65625	30.99

238.11897277832	25840.982421875	4.56
254.161376953125	56754.59765625	10.01
255.14501953125	149334.96875	26.33
272.171447753906	567159.9375	100

RECORD_TITLE: MZ:272.1712 | RT:59.1 | grpid:303 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 272.171203613281
AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
XCMS groupid (grpid): 303
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.076034545898	19949.189453125	2.17
112.087242126465	329485.15625	35.8
113.071655273438	4598.30322265625	0.5

238.117752075195	52792.4453125	5.74
254.160827636719	98623.3671875	10.71
255.14485168457	256106.625	27.82
272.171356201172	920466.25	100

RECORD_TITLE: MZ:272.1713 | RT:58.5 | grpid:303 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 272.171264648438
AC$CHROMATOGRAPHY: RETENTION_TIME 58.478901
XCMS groupid (grpid): 303
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.076301574707	12496.2763671875	2.84
110.071594238281	5312.72412109375	1.21
112.087257385254	152846.46875	34.69

238.118347167969	22576.728515625	5.12
254.160858154297	54065.60546875	12.27
255.145080566406	131171.484375	29.77
272.171447753906	440583.8125	100

RECORD_TITLE: MZ:272.1712 | RT:58.5 | grpid:303 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 272.171234130859
AC$CHROMATOGRAPHY: RETENTION_TIME 58.478901
XCMS groupid (grpid): 303
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
100.076278686523	18250.01171875	2.04
110.023941040039	4066.50732421875	0.45
112.087242126465	324019.03125	36.24

255.11735534668	6694.04296875	0.75
255.122634887695	4730.10205078125	0.53
255.144790649414	253964.265625	28.41
272.171417236328	894020.5625	100

RECORD_TITLE: MZ:274.1756 | RT:93.5 | grpid:306 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 274.175598144531
AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
XCMS groupid (grpid): 306
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
101.068878173828	3083.6005859375	1.26
115.086715698242	3843.61743164062	1.57
157.133575439453	244224.890625	100
161.092071533203	185869.75	76.11
161.105804443359	4702.1435546875	1.93
185.128646850586	95068.3203125	38.93

RECORD_TITLE: MZ:274.1758 | RT:93.5 | grpid:306 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 274.175750732422
AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
XCMS groupid (grpid): 306
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
111.12141418457	2919.10546875	3.48
118.139419555664	2762.68212890625	3.29
152.241439819336	2889.55200195312	3.44

199.144088745117	10817.66796875	12.88
203.91975402832	2890.12939453125	3.44
213.804061889648	2904.75952148438	3.46
293.943817138672	3003.84594726562	3.58

RECORD_TITLE: MZ:274.1757 | RT:93.7 | grpid:306 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 274.175689697266
AC$CHROMATOGRAPHY: RETENTION_TIME 93.704046
XCMS groupid (grpid): 306
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
115.086883544922	4926.205078125	1.98
134.339370727539	3014.974609375	1.21
157.133544921875	248792.71875	100

185.128479003906	103656.1328125	41.66
185.144317626953	3739.43701171875	1.5
240.998413085938	3096.86401367188	1.24
244.528472900391	3161.3740234375	1.27

RECORD_TITLE: MZ:274.1758 | RT:93.7 | grpid:306 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 274.175811767578
AC$CHROMATOGRAPHY: RETENTION_TIME 93.704046
XCMS groupid (grpid): 306
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
107.794586181641	2516.4248046875	3.03
157.133987426758	35312.12890625	42.52
161.092620849609	22569.705078125	27.18

171.217880249023	2739.57739257812	3.3
175.107727050781	28410.375	34.21
185.129318237305	11420.4775390625	13.75
199.144180297852	6829.45703125	8.22

RECORD_TITLE: MZ:277.1027 | RT:34 | grpid:311 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 277.102722167969
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 311
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055252075195	19285.34375	57.12
103.058700561523	11779.50390625	34.89
121.485000610352	2537.43798828125	7.52

148.060012817383	26213.484375	77.64
149.06379699707	17484.365234375	51.79
242.084671020508	14739.18359375	43.66
260.095520019531	9966.8857421875	29.52

RECORD_TITLE: MZ:277.1027 | RT:35 | grpid:311 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 277.102691650391
AC$CHROMATOGRAPHY: RETENTION_TIME 34.9703976
XCMS groupid (grpid): 311
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
101.117088317871	2863.08325195312	3.5
102.055404663086	50160.4453125	61.35
130.049987792969	81759.015625	100

241.082122802734	18428.041015625	22.54
259.091766357422	11490.0615234375	14.05
260.077758789062	3573.9892578125	4.37
296.483093261719	2672.47143554688	3.27

RECORD_TITLE: MZ:277.1027 | RT:35 | grpid:311 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 277.102661132812
AC$CHROMATOGRAPHY: RETENTION_TIME 34.9703976
XCMS groupid (grpid): 311
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
102.055404663086	72120.984375	65.76
103.05867767334	48864.07421875	44.55
111.366973876953	2833.31323242188	2.58

243.068954467773	3263.1953125	2.98
260.096435546875	13470.7333984375	12.28
261.079376220703	10932.662109375	9.97
278.105987548828	5054.4541015625	4.61

RECORD_TITLE: MZ:279.1005 | RT:63.7 | grpid:313 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 279.100494384766
AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916
XCMS groupid (grpid): 313
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
102.055374145508	99060.15625	12.22
104.053268432617	810346.25	100
105.037216186523	4860.92724609375	0.6

186.126800537109	3235.509765625	0.4
216.06852722168	75573.1875	9.33
262.074645996094	45437.76171875	5.61
279.099304199219	7316.77685546875	0.9

RECORD_TITLE: MZ:280.0488 | RT:70.5 | grpid:315 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 280.048767089844
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 315
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
116.985786437988	33421.9296875	31
120.081001281738	11129.6591796875	10.32
123.669364929199	2818.08227539062	2.61

257.906707763672	2842.23803710938	2.64
261.055084228516	24014.6796875	22.27
279.065277099609	18450.875	17.11
280.126678466797	4697.37060546875	4.36

RECORD_TITLE: MZ:280.0488 | RT:70.6 | grpid:315 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 280.048767089844
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 315
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
116.986145019531	90175.0546875	39.39
122.500762939453	2979.67431640625	1.3
126.041282653809	2491.48876953125	1.09

279.905609130859	3107.13793945312	1.36
280.049163818359	13564.6298828125	5.92
280.126281738281	3274.9765625	1.43
302.081359863281	12904.4560546875	5.64

RECORD_TITLE: MZ:281.1524 | RT:75 | grpid:320 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 281.152435302734
AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038
XCMS groupid (grpid): 320
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
101.264610290527	2750.7802734375	0.33
103.05460357666	25212.22265625	3.05
120.081024169922	825684.1875	100

143.130569458008	2861.20629882812	0.35
157.364059448242	2556.23803710938	0.31
196.631576538086	2650.54321289062	0.32
239.329803466797	2676.6943359375	0.32

RECORD_TITLE: MZ:281.1525 | RT:75.2 | grpid:320 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 281.152526855469
AC$CHROMATOGRAPHY: RETENTION_TIME 75.21942
XCMS groupid (grpid): 320
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
103.054763793945	34028.828125	3.95
119.951507568359	2629.16333007812	0.31
120.081024169922	861520.9375	100

153.720336914062	3543.21435546875	0.41
189.584426879883	3025.72802734375	0.35
221.813919067383	2534.84301757812	0.29
267.996520996094	2868.07666015625	0.33

RECORD_TITLE: MZ:285.0824 | RT:83.4 | grpid:329 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 285.082427978516
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 329
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
103.039367675781	34832.5	1.31
110.035171508789	114180.3125	4.3
110.071548461914	6402.4853515625	0.24

142.105499267578	4813.17431640625	0.18
153.040679931641	2656807.5	100
154.024673461914	285199.78125	10.73
154.037857055664	4174.63427734375	0.16

RECORD_TITLE: MZ:285.0825 | RT:83.6 | grpid:329 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 285.082458496094
AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
XCMS groupid (grpid): 329
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
103.039260864258	28734.193359375	1.33
110.035217285156	91303.421875	4.22
110.071723937988	13147.5751953125	0.61

141.1025390625	4594.5947265625	0.21
153.040664672852	2162515.5	100
154.024627685547	236670.3125	10.94
154.037643432617	3128.84204101562	0.14

RECORD_TITLE: MZ:285.0825 | RT:83.6 | grpid:329 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 285.08251953125
AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
XCMS groupid (grpid): 329
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
102.877166748047	11391.2080078125	0.29
103.039733886719	70818.046875	1.77
108.379875183105	10036.453125	0.25

169.74462890625	11478.4873046875	0.29
276.099914550781	12241.7314453125	0.31
283.922821044922	10031.16015625	0.25
301.9716796875	10684.52734375	0.27

RECORD_TITLE: MZ:287.0512 | RT:43.2 | grpid:332 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 287.051239013672
AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192
XCMS groupid (grpid): 332
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
111.116577148438	2635.97485351562	3.74
113.805793762207	2529.7333984375	3.59
127.086990356445	3527.62426757812	5

230.111846923828	3778.5263671875	5.36
269.040222167969	2981.3544921875	4.23
287.050201416016	70541.3828125	100
304.021636962891	2973.06982421875	4.21

RECORD_TITLE: MZ:292.1975 | RT:44.8 | grpid:346 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 292.197509765625
AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376
XCMS groupid (grpid): 346
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
112.08748626709	146886.8125	0.82
112.094039916992	21488.705078125	0.12
113.071746826172	19570.8203125	0.11

248.061279296875	26782.0078125	0.15
287.312866210938	15858.4033203125	0.09
303.088562011719	14864.9921875	0.08
309.474395751953	14699.423828125	0.08

RECORD_TITLE: MZ:294.1542 | RT:92.7 | grpid:350 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154174804688
AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.039588928223	12116.9365234375	2.56
100.112373352051	6914.2412109375	1.46
110.096420288086	3424.94165039062	0.72

248.149124145508	63486.26171875	13.42
258.133422851562	269774.625	57.01
276.144012451172	289220.21875	61.12
283.004730224609	3476.09790039062	0.73

RECORD_TITLE: MZ:294.1543 | RT:92.7 | grpid:350 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154296875
AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
100.039855957031	11945.4833984375	2.27
100.11254119873	3537.12866210938	0.67
101.024070739746	3956.35595703125	0.75

248.148956298828	50961.2109375	9.67
258.133422851562	429868.0625	81.58
263.925018310547	2871.33056640625	0.54
276.143981933594	370881.4375	70.38

RECORD_TITLE: MZ:294.1543 | RT:92.7 | grpid:350 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154266357422
AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
112.03931427002	4738.89697265625	8.46
127.039451599121	6637.46044921875	11.85
128.106857299805	4131.669921875	7.38

258.134094238281	56012.828125	100
276.144348144531	39232.16796875	70.04
294.142822265625	3321.01489257812	5.93
301.394378662109	2792.884765625	4.99

RECORD_TITLE: MZ:294.1443 | RT:127 | grpid:350 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 294.144256591797
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
101.071441650391	34816.140625	3.33
102.055137634277	4712.90234375	0.45
103.054664611816	28540.345703125	2.73

242.080108642578	3713.76049804688	0.35
260.091583251953	6231.1533203125	0.6
277.118194580078	13311.5361328125	1.27
294.144134521484	15787.435546875	1.51

RECORD_TITLE: MZ:294.1542 | RT:92.9 | grpid:350 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154235839844
AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.039581298828	6100.62353515625	1.43
100.112480163574	6374.77783203125	1.5
103.039588928223	3076.25048828125	0.72

235.040023803711	3332.52368164062	0.78
248.149322509766	52210.234375	12.26
258.133483886719	255259.734375	59.93
276.143981933594	275148.625	64.6

RECORD_TITLE: MZ:294.1543 | RT:92.9 | grpid:350 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154266357422
AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
100.039398193359	6943.6611328125	1.37
100.112838745117	3517.724609375	0.69
108.044715881348	5075.48486328125	1

230.138656616211	508058.0625	100
248.149200439453	51917.765625	10.22
258.133483886719	443114.375	87.22
276.143981933594	392024.59375	77.16

RECORD_TITLE: MZ:294.1543 | RT:92.9 | grpid:350 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154327392578
AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
112.039344787598	5124.46142578125	7.47
122.517807006836	3088.34252929688	4.5
127.0390625	6232.49560546875	9.08

268.423004150391	3287.80078125	4.79
276.143981933594	43785.77734375	63.79
294.142303466797	5570.93115234375	8.12
308.502807617188	3742.28930664062	5.45

RECORD_TITLE: MZ:294.1442 | RT:127.2 | grpid:350 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 294.144195556641
AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
101.071395874023	30196.458984375	3.01
103.05460357666	36452.20703125	3.64
115.028816223145	2923.4765625	0.29

259.107482910156	2916.66284179688	0.29
260.092193603516	4195.158203125	0.42
277.117889404297	16811.05078125	1.68
294.143859863281	18521.876953125	1.85

RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 295.128387451172
AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
XCMS groupid (grpid): 353
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
102.055305480957	141662.953125	1.78
103.047660827637	9096.5048828125	0.11
103.054672241211	264597.71875	3.33

260.092071533203	5487.70556640625	0.07
277.120513916016	6250.375	0.08
288.727630615234	5923.0712890625	0.07
295.12841796875	60264.61328125	0.76

RECORD_TITLE: MZ:295.1283 | RT:76.7 | grpid:353 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 295.128326416016
AC$CHROMATOGRAPHY: RETENTION_TIME 76.72203
XCMS groupid (grpid): 353
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
102.055358886719	142350.5625	1.73
103.047714233398	7654.904296875	0.09
103.054664611816	271591.96875	3.3

177.852951049805	5688.75244140625	0.07
249.123413085938	14290.17578125	0.17
256.870849609375	6559.6240234375	0.08
295.129028320312	57312.61328125	0.7

RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 296.065826416016
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 354
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
104.107414245605	113404.828125	96.9
115.257781982422	2642.28344726562	2.26
118.906105041504	2871.60009765625	2.45

280.090270996094	10559.1611328125	9.02
281.073272705078	3693.57568359375	3.16
298.067657470703	6471.38916015625	5.53
298.096527099609	23370.763671875	19.97

RECORD_TITLE: MZ:296.0656 | RT:42.4 | grpid:354 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 296.065551757812
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 354
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
104.107582092285	12656.6298828125	16.59
110.071670532227	76296.015625	100
128.03190612793	11512.23828125	15.09

211.106033325195	3517.22680664062	4.61
274.146240234375	3613.0380859375	4.74
280.127960205078	4497.24267578125	5.89
298.135314941406	24276.166015625	31.82

RECORD_TITLE: MZ:296.0658 | RT:43.3 | grpid:354 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 296.065826416016
AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116
XCMS groupid (grpid): 354
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
102.501098632812	2634.53149414062	2.76
104.107406616211	78233.4765625	82
104.779418945312	2619.09838867188	2.75

281.074127197266	13575.4345703125	14.23
298.067443847656	8395.75	8.8
298.100677490234	33910.890625	35.54
298.133453369141	5547.06982421875	5.81

RECORD_TITLE: MZ:296.0656 | RT:43.3 | grpid:354 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 296.065582275391
AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116
XCMS groupid (grpid): 354
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
103.752471923828	3372.3203125	1.13
104.107315063477	3889.2138671875	1.31
105.110206604004	4535.83447265625	1.52

160.036758422852	33066.51953125	11.1
197.080413818359	3280.55688476562	1.1
229.070083618164	5290.5830078125	1.78
297.119445800781	5748.119140625	1.93

RECORD_TITLE: MZ:302.1707 | RT:88.9 | grpid:369 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 302.170684814453
AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
XCMS groupid (grpid): 369
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
111.092300415039	3345.74462890625	0.99
114.091567993164	2964.439453125	0.88
116.070907592773	338258.5	100

187.107772827148	19796.359375	5.85
203.102493286133	107000.6796875	31.63
213.087478637695	12012.677734375	3.55
269.900512695312	3120.37036132812	0.92

RECORD_TITLE: MZ:302.1707 | RT:88.9 | grpid:369 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 302.170715332031
AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
XCMS groupid (grpid): 369
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
111.091789245605	4032.9169921875	1.2
116.070877075195	335223.84375	100
144.715606689453	2890.23486328125	0.86

189.086227416992	25625.54296875	7.64
203.102386474609	84135.125	25.1
213.08723449707	7243.43408203125	2.16
284.158935546875	3037.86303710938	0.91

RECORD_TITLE: MZ:302.1706 | RT:89.1 | grpid:369 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 302.170593261719
AC$CHROMATOGRAPHY: RETENTION_TIME 89.058666
XCMS groupid (grpid): 369
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
111.537490844727	2589.2255859375	0.65
116.070930480957	399363.4375	100
120.955596923828	2879.787109375	0.72

185.092102050781	5634.4248046875	1.41
187.108093261719	27319.478515625	6.84
203.102722167969	98053.7265625	24.55
213.085845947266	4722.02392578125	1.18

RECORD_TITLE: MZ:302.1707 | RT:89.1 | grpid:369 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 302.170745849609
AC$CHROMATOGRAPHY: RETENTION_TIME 89.058666
XCMS groupid (grpid): 369
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
106.602005004883	2616.6298828125	1.08
107.888076782227	2649.7861328125	1.09
116.070938110352	242279.421875	100

203.102783203125	69475.5	28.68
207.951904296875	2900.83618164062	1.2
213.087280273438	3746.56909179688	1.55
218.32536315918	3366.72143554688	1.39

RECORD_TITLE: MZ:303.1658 | RT:61.4 | grpid:373 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 303.165832519531
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
101.071495056152	17276.505859375	15.08
102.055053710938	4332.97802734375	3.78
110.024024963379	81759.390625	71.36

228.134613037109	17541.95703125	15.31
241.117919921875	5677.2734375	4.96
258.145751953125	11240.6552734375	9.81
261.076507568359	6831.46142578125	5.96

RECORD_TITLE: MZ:303.1658 | RT:61.4 | grpid:373 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 303.165802001953
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
101.071464538574	18367.666015625	14.33
110.024108886719	13310.111328125	10.38
113.071151733398	16702.12890625	13.03

249.111709594727	3236.0263671875	2.52
269.112640380859	21471.349609375	16.75
285.155151367188	33509.90625	26.14
293.368133544922	3520.171875	2.75

RECORD_TITLE: MZ:303.0948 | RT:105.5 | grpid:373 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 303.094818115234
AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
110.024101257324	4604.99267578125	1.29
110.07202911377	3307.8427734375	0.92
116.034477233887	19055.865234375	5.32

266.815307617188	3664.97534179688	1.02
300.143127441406	3281.59790039062	0.92
303.095092773438	61232.3671875	17.09
303.130859375	14230.2265625	3.97

RECORD_TITLE: MZ:303.0948 | RT:105.5 | grpid:373 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 303.094818115234
AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
110.023574829102	11016.3857421875	2.99
110.071388244629	3747.73095703125	1.02
116.03441619873	21938.626953125	5.96

240.131469726562	3783.43115234375	1.03
246.144180297852	3886.61254882812	1.06
303.094879150391	68342.453125	18.55
303.131011962891	13898.3095703125	3.77

RECORD_TITLE: MZ:303.0947 | RT:105.5 | grpid:373 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 303.0947265625
AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
110.023948669434	15201.4501953125	6.73
116.03434753418	13027.6708984375	5.77
121.198669433594	2637.90063476562	1.17

240.134368896484	3921.88525390625	1.74
259.108093261719	2812.29614257812	1.24
303.094757080078	60774.92578125	26.9
303.131896972656	13393.4365234375	5.93

RECORD_TITLE: MZ:303.1659 | RT:61.5 | grpid:373 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 303.165893554688
AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
101.071395874023	18300.72265625	14.83
110.023971557617	88799.8046875	71.98
110.071678161621	4078.85327148438	3.31

228.13493347168	14781.4248046875	11.98
258.145233154297	13773.197265625	11.16
261.076416015625	4368.72607421875	3.54
285.155242919922	5692.4150390625	4.61

RECORD_TITLE: MZ:303.0948 | RT:106.6 | grpid:373 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 303.094757080078
AC$CHROMATOGRAPHY: RETENTION_TIME 106.573314
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
110.02392578125	14553.478515625	4.57
115.762519836426	2732.40161132812	0.86
116.034400939941	20459.330078125	6.43

240.133682250977	5821.06689453125	1.83
303.095336914062	63165.71484375	19.85
303.131256103516	14183.5498046875	4.46
305.864379882812	3475.26684570312	1.09

RECORD_TITLE: MZ:306.1654 | RT:60.6 | grpid:379 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 306.165435791016
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 379
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
102.055488586426	3576.6201171875	2.29
106.050354003906	46062.7578125	29.46
114.09162902832	24265.951171875	15.52

255.378860473633	3034.83129882812	1.94
276.966583251953	3468.1474609375	2.22
304.058044433594	3342.54663085938	2.14
304.39501953125	3399.11840820312	2.17

RECORD_TITLE: MZ:306.1654 | RT:60.8 | grpid:379 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 306.165435791016
AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158
XCMS groupid (grpid): 379
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
106.050323486328	74894.4453125	61.29
112.64949798584	2889.20166015625	2.36
116.070846557617	37102.015625	30.36

207.097396850586	3845.00024414062	3.15
219.135238647461	3163.32836914062	2.59
270.143188476562	3606.33642578125	2.95
309.902038574219	3108.3212890625	2.54

RECORD_TITLE: MZ:307.0644 | RT:83.4 | grpid:381 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 307.064361572266
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 381
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
133.049545288086	5159.76806640625	0.38
155.031463623047	6253.12939453125	0.46
156.391296386719	3223.2578125	0.24

193.032424926758	3446.2578125	0.25
193.298492431641	2871.95751953125	0.21
216.04899597168	22096.67578125	1.62
307.064575195312	124718.9375	9.15

RECORD_TITLE: MZ:307.0644 | RT:84.4 | grpid:381 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 307.064361572266
AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
XCMS groupid (grpid): 381
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
118.766929626465	2792.95947265625	0.22
133.049179077148	4814.24609375	0.39
155.032363891602	3902.88134765625	0.31

194.809097290039	2825.58129882812	0.23
216.04899597168	16765.642578125	1.35
294.689575195312	3187.49096679688	0.26
307.065185546875	100591.7265625	8.09

RECORD_TITLE: MZ:310.1391 | RT:64.4 | grpid:390 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 310.139099121094
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 390
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
101.071449279785	48478.1953125	3.65
102.055252075195	7670.65087890625	0.58
107.049453735352	45553.19921875	3.43

276.086181640625	35498.7421875	2.67
293.112335205078	16164.1708984375	1.22
310.14013671875	39121.29296875	2.95
310.173400878906	6785.9521484375	0.51

RECORD_TITLE: MZ:310.1733 | RT:99.9 | grpid:390 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 310.173309326172
AC$CHROMATOGRAPHY: RETENTION_TIME 99.89805
XCMS groupid (grpid): 390
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
110.155097961426	2676.5810546875	0.85
112.037208557129	93422.6875	29.64
128.505966186523	2817.84057617188	0.89

221.125839233398	5832.0478515625	1.85
239.136581420898	117392.2734375	37.25
304.273651123047	2863.95190429688	0.91
310.173461914062	315141.34375	100

RECORD_TITLE: MZ:310.1733 | RT:100.1 | grpid:390 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 310.173309326172
AC$CHROMATOGRAPHY: RETENTION_TIME 100.10529
XCMS groupid (grpid): 390
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
112.037353515625	76872.484375	23.39
122.226097106934	2590.57788085938	0.79
136.075698852539	2975.9716796875	0.91

283.275482177734	3348.0849609375	1.02
292.165405273438	3616.77392578125	1.1
310.173583984375	328608.09375	100
332.187194824219	2774.29077148438	0.84

RECORD_TITLE: MZ:311.1232 | RT:60.6 | grpid:391 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 311.123199462891
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 391
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
102.055458068848	76959.8515625	11.06
107.049293518066	17190.248046875	2.47
119.049499511719	59540.203125	8.55

293.112396240234	32461.78125	4.66
294.107330322266	3196.60620117188	0.46
297.643768310547	3068.45141601562	0.44
311.13720703125	3376.45483398438	0.49

RECORD_TITLE: MZ:311.1232 | RT:60.6 | grpid:391 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 311.123229980469
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 391
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
102.055267333984	25959.181640625	1.56
103.05436706543	7600.23388671875	0.46
107.049491882324	6836.66650390625	0.41

275.164428710938	4258.0537109375	0.26
290.621398925781	4374.6171875	0.26
294.096374511719	93190.0859375	5.62
311.131652832031	58676.25390625	3.54

RECORD_TITLE: MZ:311.1233 | RT:60.8 | grpid:391 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 311.123321533203
AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158
XCMS groupid (grpid): 391
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
102.048942565918	4303.8115234375	0.76
102.055313110352	74308.8984375	13.2
107.049201965332	18898.404296875	3.36

247.107391357422	206649.390625	36.7
266.758697509766	3608.98876953125	0.64
293.114105224609	29779.12890625	5.29
311.138702392578	3576.6796875	0.64

RECORD_TITLE: MZ:311.1233 | RT:60.8 | grpid:391 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 311.123321533203
AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158
XCMS groupid (grpid): 391
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
102.055397033691	19171.626953125	2.03
107.049255371094	4313.7041015625	0.46
119.049407958984	234709.6875	24.8

294.096649169922	58689.56640625	6.2
311.13134765625	28442.384765625	3
313.788848876953	3409.77734375	0.36
320.026641845703	3267.57104492188	0.35

RECORD_TITLE: MZ:313.1752 | RT:70.5 | grpid:397 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 313.175231933594
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 397
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
101.695213317871	3385.59912109375	42.51
123.04426574707	3538.955078125	44.44
126.253456115723	3662.13037109375	45.98

190.214126586914	3634.75854492188	45.64
275.897308349609	4505.84912109375	56.58
313.157958984375	4618.80029296875	58
324.759063720703	3623.89794921875	45.5

RECORD_TITLE: MZ:313.1753 | RT:70.6 | grpid:397 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 313.175262451172
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 397
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
101.525428771973	4244.95068359375	26.63
119.048828125	4152.005859375	26.04
123.043998718262	4032.08984375	25.29

165.054809570312	15942.01171875	100
285.324310302734	4988.541015625	31.29
313.157501220703	6084.83349609375	38.17
329.386474609375	3902.72241210938	24.48

RECORD_TITLE: MZ:317.1815 | RT:69.2 | grpid:407 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 317.181549072266
AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026
XCMS groupid (grpid): 407
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
100.000617980957	2764.93823242188	1.39
101.071342468262	52776.33203125	26.46
110.060340881348	24591.759765625	12.33

210.124572753906	14695.6591796875	7.37
225.123199462891	4797.7587890625	2.41
245.35807800293	3679.95971679688	1.84
299.171508789062	68947.8515625	34.56

RECORD_TITLE: MZ:317.1816 | RT:69.2 | grpid:407 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 317.181579589844
AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026
XCMS groupid (grpid): 407
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
111.924682617188	2987.87060546875	3.08
113.071136474609	3521.54345703125	3.63
113.107749938965	4745.8115234375	4.89

228.134841918945	26519.537109375	27.35
255.133773803711	6747.7666015625	6.96
272.159423828125	10641.6845703125	10.98
317.116455078125	4209.64306640625	4.34

RECORD_TITLE: MZ:320.1811 | RT:62.9 | grpid:415 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 320.181091308594
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 415
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
101.071365356445	281855.375	20.7
101.206703186035	3570.3681640625	0.26
102.055252075195	27374.044921875	2.01

221.113983154297	5093.689453125	0.37
241.118682861328	6213.60546875	0.46
259.129089355469	6648.86767578125	0.49
302.170257568359	15380.2099609375	1.13

RECORD_TITLE: MZ:320.181 | RT:62.9 | grpid:415 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 320.181030273438
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 415
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
101.071380615234	2992.677734375	1.5
110.071418762207	3555.12036132812	1.78
112.075950622559	47222.296875	23.68

304.179077148438	2929.642578125	1.47
307.448608398438	2918.53735351562	1.46
320.157135009766	5962.02001953125	2.99
343.174377441406	4363.37353515625	2.19

RECORD_TITLE: MZ:320.1811 | RT:63.1 | grpid:415 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 320.181121826172
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 415
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
101.071395874023	307345.34375	20
102.055290222168	22224.041015625	1.45
108.081634521484	10953.9453125	0.71

265.652374267578	3211.76806640625	0.21
276.698638916016	3204.525390625	0.21
279.226867675781	3227.61767578125	0.21
302.171600341797	14686.783203125	0.96

RECORD_TITLE: MZ:320.1811 | RT:63.1 | grpid:415 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 320.181060791016
AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
XCMS groupid (grpid): 415
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
100.63224029541	2963.869140625	1.38
101.071441650391	4505.61083984375	2.09
110.07160949707	5812.294921875	2.7

224.080871582031	4288.7607421875	1.99
258.145782470703	27850.513671875	12.94
291.824340820312	2872.27758789062	1.33
342.055236816406	3642.53344726562	1.69

RECORD_TITLE: MZ:323.0384 | RT:83.4 | grpid:423 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 323.038360595703
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 423
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
129.365707397461	3141.83325195312	52.63
155.72932434082	2785.9228515625	46.67
190.997634887695	3309.103515625	55.44
323.039398193359	5969.2158203125	100

RECORD_TITLE: MZ:323.0384 | RT:84.4 | grpid:423 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 323.038360595703
AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
XCMS groupid (grpid): 423
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
128.50553894043	3386.35693359375	25.58
153.065856933594	2935.0458984375	22.17
179.621505737305	2628.43286132812	19.86
190.996322631836	6637.37841796875	50.14
256.982543945312	3841.45336914062	29.02
323.039276123047	13236.58203125	100
344.520050048828	3327.75537109375	25.14

RECORD_TITLE: MZ:323.0383 | RT:84.4 | grpid:423 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 323.038269042969
AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
XCMS groupid (grpid): 423
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
106.13370513916	3051.279296875	57.74
137.635299682617	2781.98217773438	52.65
144.017776489258	2624.34545898438	49.66

212.091339111328	2775.75756835938	52.53
222.567947387695	2769.4775390625	52.41
305.012542724609	5284.28857421875	100
348.558624267578	3066.99365234375	58.04

RECORD_TITLE: MZ:326.1472 | RT:97.7 | grpid:429 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 326.147247314453
AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058
XCMS groupid (grpid): 429
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
110.071594238281	18136.025390625	100
111.771446228027	2785.8037109375	15.36
117.990272521973	2784.25244140625	15.35

165.825180053711	2898.11499023438	15.98
202.852157592773	3820.03295898438	21.06
255.132080078125	4374.06005859375	24.12
309.125244140625	6484.82861328125	35.76

RECORD_TITLE: MZ:332.1812 | RT:65.9 | grpid:443 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181243896484
AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
100.559684753418	3718.64868164062	2.77
102.05542755127	26123.17578125	19.49
116.071006774902	13162.55859375	9.82

219.097274780273	66659.25	49.73
233.113525390625	19939.693359375	14.88
316.752319335938	3677.53686523438	2.74
332.191650390625	6762.85791015625	5.05

RECORD_TITLE: MZ:332.1811 | RT:65.9 | grpid:443 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181060791016
AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
102.05541229248	52506.98828125	44.84
109.076324462891	6153.2685546875	5.26
136.087371826172	3486.95043945312	2.98

215.138977050781	87088.8203125	74.38
219.097640991211	11436.181640625	9.77
243.134414672852	26365.50390625	22.52
318.824340820312	3342.03344726562	2.85

RECORD_TITLE: MZ:332.181 | RT:65.9 | grpid:443 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181030273438
AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
102.055519104004	6797.51953125	6.65
102.420440673828	2608.35546875	2.55
109.076461791992	2799.908203125	2.74

215.137771606445	21268.103515625	20.79
233.112884521484	66269.2890625	64.79
259.901397705078	3126.96142578125	3.06
265.669219970703	3109.36840820312	3.04

RECORD_TITLE: MZ:332.1002 | RT:127.7 | grpid:443 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 332.100189208984
AC$CHROMATOGRAPHY: RETENTION_TIME 127.720194
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
124.921501159668	2787.30419921875	82.57
130.83171081543	2762.00854492188	81.83
136.59423828125	2854.00708007812	84.55
145.657409667969	2890.59912109375	85.63
215.693115234375	3375.4921875	100

RECORD_TITLE: MZ:332.1812 | RT:66.1 | grpid:443 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181213378906
AC$CHROMATOGRAPHY: RETENTION_TIME 66.147648
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
102.055389404297	43917.640625	27.43
116.071266174316	3441.60864257812	2.15
120.066108703613	6721.34130859375	4.2

227.102386474609	3936.34204101562	2.46
233.113830566406	20265.533203125	12.66
298.115844726562	3825.31762695312	2.39
332.199829101562	3429.04418945312	2.14

RECORD_TITLE: MZ:332.1811 | RT:66.1 | grpid:443 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181121826172
AC$CHROMATOGRAPHY: RETENTION_TIME 66.147648
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
102.055480957031	11927.3154296875	9.12
105.358688354492	2841.67114257812	2.17
109.076042175293	3352.17016601562	2.56

215.138122558594	29687.029296875	22.7
233.113311767578	68994.71875	52.77
316.371520996094	3379.04663085938	2.58
347.046173095703	3459.23193359375	2.65

RECORD_TITLE: MZ:332.1003 | RT:128 | grpid:443 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 332.100311279297
AC$CHROMATOGRAPHY: RETENTION_TIME 127.98057
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
107.337799072266	3200.95288085938	100
121.272087097168	2818.72631835938	88.06
140.474029541016	2970.421875	92.8
180.650238037109	3080.52490234375	96.24
262.043762207031	2794.6884765625	87.31
353.14501953125	3135.12060546875	97.94

RECORD_TITLE: MZ:334.1393 | RT:121.6 | grpid:450 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 334.139282226562
AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
XCMS groupid (grpid): 450
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
102.055374145508	34924.125	6.12
115.054656982422	6235.50390625	1.09
117.057525634766	7535.74072265625	1.32

299.102294921875	15727.2548828125	2.75
317.113159179688	89027.9609375	15.59
326.211242675781	3113.96240234375	0.55
347.064605712891	3606.46557617188	0.63

RECORD_TITLE: MZ:334.1393 | RT:121.6 | grpid:450 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 334.139251708984
AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
XCMS groupid (grpid): 450
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
105.638916015625	2670.29809570312	18.95
130.162689208984	3056.7685546875	21.69
132.071838378906	3012.13842773438	21.38

237.655975341797	2828.33325195312	20.07
278.594848632812	3003.77319335938	21.32
319.119873046875	3982.1943359375	28.26
341.972106933594	3192.58032226562	22.66

RECORD_TITLE: MZ:334.1393 | RT:121.8 | grpid:450 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 334.139343261719
AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
XCMS groupid (grpid): 450
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
102.039459228516	3126.5771484375	0.87
102.05541229248	22925.572265625	6.37
115.054595947266	4878.6552734375	1.36

275.105682373047	4434.3291015625	1.23
290.108581542969	7415.12744140625	2.06
299.102355957031	15771.7763671875	4.38
317.112731933594	53765.765625	14.94

RECORD_TITLE: MZ:334.1392 | RT:121.8 | grpid:450 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 334.139221191406
AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
XCMS groupid (grpid): 450
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
130.064987182617	3957.09008789062	23.93
132.081146240234	5052.8193359375	30.56
134.146469116211	3342.78857421875	20.22

170.059799194336	3234.10571289062	19.56
171.062759399414	3257.57153320312	19.7
237.822662353516	3933.26025390625	23.79
331.68310546875	3073.66259765625	18.59

RECORD_TITLE: MZ:335.0734 | RT:37.1 | grpid:451 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 335.073364257812
AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878
XCMS groupid (grpid): 451
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
109.028854370117	77211.3671875	100
112.417579650879	2861.51879882812	3.71
116.994819641113	14928.2919921875	19.33

273.154998779297	3246.16064453125	4.2
276.924835205078	5296.65771484375	6.86
316.950531005859	7445.36279296875	9.64
335.071899414062	3603.01391601562	4.67

RECORD_TITLE: MZ:347.192 | RT:78 | grpid:479 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 347.192047119141
AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
101.071395874023	36722.35546875	38.71
102.055473327637	12178.884765625	12.84
104.107437133789	3611.51147460938	3.81

242.150268554688	25836.65625	27.23
273.754791259766	3415.47680664062	3.6
329.180480957031	4035.25463867188	4.25
347.135772705078	4032.771484375	4.25

RECORD_TITLE: MZ:347.1921 | RT:78 | grpid:479 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 347.192077636719
AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
101.071617126465	5398.6298828125	0.58
103.723625183105	3265.326171875	0.35
111.991218566895	2874.86499023438	0.31

234.108322143555	22444.685546875	2.4
269.112457275391	13442.9560546875	1.44
348.072723388672	3934.16088867188	0.42
358.842193603516	3603.02954101562	0.39

RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 347.19189453125
AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
101.071342468262	67131.6328125	17.67
102.055252075195	18796.11328125	4.95
106.050277709961	218794.21875	57.58

329.181610107422	60851.21484375	16.02
330.166595458984	7788.13623046875	2.05
337.523315429688	3762.87573242188	0.99
347.136596679688	4138.767578125	1.09

RECORD_TITLE: MZ:347.1921 | RT:78 | grpid:479 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 347.192138671875
AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
101.071487426758	40989.35546875	34.36
106.050384521484	64746.98046875	54.27
120.065864562988	4761.80517578125	3.99

228.133529663086	2950.7197265625	2.47
234.108062744141	13047.580078125	10.94
291.422515869141	3581.61791992188	3
329.181762695312	16518.06640625	13.84

RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 347.192016601562
AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
101.071472167969	45171.87890625	33.5
102.055595397949	6679.82958984375	4.95
105.658126831055	3707.39477539062	2.75

242.149551391602	36058.55078125	26.74
329.181365966797	6031.48583984375	4.47
347.132202148438	13041.052734375	9.67
351.198883056641	3373.9384765625	2.5

RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 347.191955566406
AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
118.086494445801	7576.1259765625	0.8
119.082153320312	26106.646484375	2.77
130.049880981445	17185.96875	1.82

218.650161743164	3395.4833984375	0.36
228.134613037109	4603.17626953125	0.49
230.112823486328	12677.3818359375	1.34
234.108779907227	24262.263671875	2.57

RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 347.192016601562
AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
101.071464538574	86710.421875	15.64
102.055419921875	16750.51171875	3.02
106.050262451172	326808.28125	58.94

311.170501708984	15094.2666015625	2.72
312.156188964844	22827.654296875	4.12
329.181121826172	67683.03125	12.21
330.1669921875	13961.8564453125	2.52

RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 347.192047119141
AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
101.07154083252	23334.921875	33.47
106.05061340332	21394.607421875	30.69
120.065376281738	4280.36767578125	6.14

216.097473144531	6720.2353515625	9.64
217.081832885742	18838.884765625	27.02
329.182678222656	4375.25	6.28
346.2744140625	2887.69140625	4.14

RECORD_TITLE: MZ:352.0628 | RT:112 | grpid:488 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 352.062774658203
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
120.081108093262	19078.498046875	10.28
122.027221679688	185501.0625	100
130.050018310547	29379.146484375	15.84

223.020202636719	26858.08203125	14.48
231.043319702148	73601.2578125	39.68
266.384307861328	3563.92919921875	1.92
289.0302734375	11603.8994140625	6.26

RECORD_TITLE: MZ:352.0627 | RT:112 | grpid:488 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 352.062713623047
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
102.055229187012	4722.8076171875	0.84
105.000785827637	15800.900390625	2.8
105.97834777832	17800.91015625	3.16

268.136962890625	4854.58837890625	0.86
273.255798339844	3565.61401367188	0.63
289.029968261719	27259.474609375	4.83
335.035552978516	6442.3271484375	1.14

RECORD_TITLE: MZ:352.0627 | RT:112 | grpid:488 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 352.062683105469
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
105.001022338867	16878.21875	3.05
105.978256225586	14976.3896484375	2.7
117.995971679688	5842.73388671875	1.06

231.043365478516	225713.1875	40.77
289.031616210938	22910.04296875	4.14
335.036315917969	5819.75537109375	1.05
352.064575195312	6418.50390625	1.16

RECORD_TITLE: MZ:352.0628 | RT:113 | grpid:488 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 352.062805175781
AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
102.055809020996	3488.69775390625	2.01
105.001289367676	3172.0302734375	1.83
120.081344604492	5174.9794921875	2.99

223.020645141602	27145.65625	15.67
231.043487548828	60952.73828125	35.18
239.811767578125	2879.68359375	1.66
289.031402587891	3247.91870117188	1.87

RECORD_TITLE: MZ:352.0627 | RT:113 | grpid:488 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 352.062713623047
AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
102.055686950684	3123.27661132812	0.57
105.00089263916	16334.1181640625	2.96
105.97827911377	13701.4443359375	2.48

231.04328918457	206556.171875	37.38
289.031494140625	22851.3984375	4.14
335.037445068359	12120.7685546875	2.19
352.063659667969	7431.4755859375	1.34

RECORD_TITLE: MZ:352.0628 | RT:113 | grpid:488 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 352.062805175781
AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
102.055854797363	3649.76806640625	0.58
105.000877380371	21843.5390625	3.46
105.978240966797	16929.64453125	2.68

265.029479980469	3436.65844726562	0.54
289.030517578125	27543.3359375	4.37
335.035797119141	7070.41162109375	1.12
352.061828613281	13867.8984375	2.2

RECORD_TITLE: MZ:361.1388 | RT:70.6 | grpid:513 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 361.138793945312
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 513
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
100.039588928223	12111.5087890625	4.67
107.049629211426	4299.3486328125	1.66
110.023170471191	3329.40161132812	1.28

327.087799072266	5716.10888671875	2.2
343.513671875	4175.29833984375	1.61
344.113220214844	18831.517578125	7.26
361.139190673828	34313.515625	13.22

RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 362.191528320312
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 515
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
101.071388244629	21639.20703125	9.06
102.055397033691	133039.03125	55.68
116.071235656738	6828.22705078125	2.86

231.143371582031	3239.9208984375	1.36
242.328903198242	3181.13891601562	1.33
243.133941650391	51009.54296875	21.35
249.107604980469	10863.931640625	4.55

RECORD_TITLE: MZ:362.1916 | RT:64.6 | grpid:515 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 362.191558837891
AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
XCMS groupid (grpid): 515
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
101.071533203125	23256.37109375	10.65
102.055381774902	115666.3125	52.95
102.202476501465	3083.99609375	1.41

231.097671508789	138937.828125	63.6
238.79475402832	3672.62524414062	1.68
243.133636474609	43720.54296875	20.01
249.107650756836	5705.5341796875	2.61

RECORD_TITLE: MZ:363.1544 | RT:69.7 | grpid:518 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 363.154388427734
AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042
XCMS groupid (grpid): 518
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
100.313407897949	6955.587890625	2.46
103.620452880859	5906.43359375	2.09
119.049507141113	64195.64453125	22.75

216.112915039062	12873.7197265625	4.56
216.143112182617	8893.7724609375	3.15
351.907806396484	7833.08203125	2.78
362.615264892578	7317.9599609375	2.59

RECORD_TITLE: MZ:363.1544 | RT:69.9 | grpid:518 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 363.154418945312
AC$CHROMATOGRAPHY: RETENTION_TIME 69.864534
XCMS groupid (grpid): 518
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
119.049301147461	70843.5703125	21.06
123.044204711914	107581.75	31.98
136.075729370117	336374.71875	100

216.112899780273	12982.91015625	3.86
246.316207885742	5869.61962890625	1.74
253.381652832031	6271.06396484375	1.86
353.493469238281	6891.98046875	2.05

RECORD_TITLE: MZ:369.1532 | RT:118.6 | grpid:537 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 369.153167724609
AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076
XCMS groupid (grpid): 537
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
113.532424926758	3462.68896484375	100
117.139762878418	3111.56518554688	89.86
141.411041259766	2775.10424804688	80.14
159.579620361328	2853.40112304688	82.4
165.934677124023	2729.99926757812	78.84

RECORD_TITLE: MZ:375.187 | RT:51.4 | grpid:551 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186950683594
AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
100.076095581055	4223.64794921875	4.36
101.071472167969	21753.130859375	22.46
102.05534362793	50440.78515625	52.09

262.103668212891	46524.4375	48.04
272.436157226562	3337.22216796875	3.45
370.075561523438	3940.17626953125	4.07
375.224273681641	4388.0234375	4.53

RECORD_TITLE: MZ:375.1869 | RT:51.4 | grpid:551 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186920166016
AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
101.071304321289	13405.0166015625	28.5
102.055389404297	19491.09765625	41.43
126.051071166992	4171.79443359375	8.87

229.118667602539	6618.83740234375	14.07
240.494720458984	3784.48266601562	8.05
262.140350341797	4663.99462890625	9.91
321.792327880859	3053.04345703125	6.49

RECORD_TITLE: MZ:375.1868 | RT:51.4 | grpid:551 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186798095703
AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
101.071662902832	7235.58251953125	8.78
102.055229187012	3702.70141601562	4.49
116.034523010254	3825.14379882812	4.64

234.206329345703	3346.74047851562	4.06
245.759918212891	3233.3134765625	3.92
297.19140625	3240.19653320312	3.93
357.176025390625	3393.13134765625	4.12

RECORD_TITLE: MZ:375.1868 | RT:51.4 | grpid:551 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186767578125
AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
101.0712890625	5265.71240234375	6.76
102.055549621582	6733.99853515625	8.64
116.071098327637	3403.06518554688	4.37

276.167419433594	6337.36376953125	8.14
277.587829589844	3088.16577148438	3.96
358.832824707031	4319.5302734375	5.55
375.233215332031	6744.6181640625	8.66

RECORD_TITLE: MZ:375.1871 | RT:51.6 | grpid:551 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 375.187103271484
AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
100.076263427734	7546.1962890625	5.66
100.76611328125	3715.6416015625	2.79
101.071418762207	15644.1923828125	11.74

258.109802246094	59167.54296875	44.41
262.103057861328	5984.1650390625	4.49
311.065277099609	3691.60766601562	2.77
375.222900390625	7451.01513671875	5.59

RECORD_TITLE: MZ:375.1869 | RT:51.6 | grpid:551 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186859130859
AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
101.071601867676	12710.5751953125	19.58
102.055297851562	26777.037109375	41.25
106.278053283691	2853.70825195312	4.4

201.122421264648	3693.38549804688	5.69
229.118041992188	7423.732421875	11.44
262.137420654297	9826.9990234375	15.14
291.134735107422	3265.45678710938	5.03

RECORD_TITLE: MZ:375.1869 | RT:51.6 | grpid:551 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186920166016
AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
101.071319580078	16489.58203125	29.07
101.288635253906	3558.95239257812	6.27
129.066070556641	6207.2783203125	10.94

200.139190673828	19149.88671875	33.76
201.123733520508	34482.609375	60.79
203.102203369141	14561.48046875	25.67
260.471221923828	3444.17211914062	6.07

RECORD_TITLE: MZ:375.1867 | RT:51.6 | grpid:551 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 375.186706542969
AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
102.055549621582	13487.74609375	44.88
116.070671081543	5957.71142578125	19.83
118.882690429688	2930.4892578125	9.75

249.166625976562	3427.99584960938	11.41
276.167205810547	18164.0859375	60.45
375.233428955078	5857.43798828125	19.49
377.149841308594	3169.154296875	10.55

RECORD_TITLE: MZ:394.1604 | RT:112 | grpid:596 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 394.160400390625
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 596
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
102.766708374023	3929.609375	7.41
117.806762695312	3366.19604492188	6.35
118.686012268066	3622.3388671875	6.83

213.08674621582	5382.7021484375	10.15
279.134704589844	22566.8359375	42.54
317.111999511719	7535.61669921875	14.21
359.123138427734	5193.3125	9.79

RECORD_TITLE: MZ:394.1605 | RT:113 | grpid:596 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 394.160461425781
AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
XCMS groupid (grpid): 596
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
125.071266174316	18474.486328125	35.71
136.07585144043	26903.927734375	52
142.836349487305	3245.5166015625	6.27

279.133819580078	18169.6484375	35.12
317.114227294922	13560.7890625	26.21
359.126098632812	3799.70556640625	7.34
394.346771240234	3509.42309570312	6.78

RECORD_TITLE: MZ:401.0603 | RT:34 | grpid:612 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 401.060302734375
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 612
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
116.995132446289	136892.984375	1.66
124.999984741211	42946.36328125	0.52
136.999877929688	238328.71875	2.89

291.002990722656	192032.71875	2.33
309.012908935547	35465.66796875	0.43
311.400085449219	10430.2568359375	0.13
376.881713867188	8704.376953125	0.11

RECORD_TITLE: MZ:401.0603 | RT:34 | grpid:612 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 401.060333251953
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 612
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
100.988975524902	47076.8515625	31.69
108.061096191406	3763.66381835938	2.53
109.599235534668	2997.06420898438	2.02

211.036483764648	4254.63330078125	2.86
231.051712036133	6051.41162109375	4.07
234.976608276367	3502.38916015625	2.36
236.98127746582	5809.45556640625	3.91

RECORD_TITLE: MZ:401.0603 | RT:34.2 | grpid:612 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 401.060333251953
AC$CHROMATOGRAPHY: RETENTION_TIME 34.1913918
XCMS groupid (grpid): 612
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
116.995010375977	152569.53125	1.82
123.777450561523	8107.2958984375	0.1
124.999740600586	60736.56640625	0.72

291.002960205078	215600.65625	2.57
309.01318359375	13654.2666015625	0.16
364.542114257812	7702.04541015625	0.09
404.745391845703	7731.3017578125	0.09

RECORD_TITLE: MZ:401.0604 | RT:34.2 | grpid:612 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 401.060363769531
AC$CHROMATOGRAPHY: RETENTION_TIME 34.1913918
XCMS groupid (grpid): 612
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
100.988807678223	40817.30859375	25.9
101.309761047363	3056.51245117188	1.94
141.789901733398	3405.86743164062	2.16

231.051651000977	4658.02783203125	2.96
236.980819702148	4265.56103515625	2.71
254.277374267578	4000.4482421875	2.54
373.381866455078	3680.00122070312	2.34

RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 404.141937255859
AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204
XCMS groupid (grpid): 618
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
136.051010131836	4214.84375	1.66
136.061798095703	154229.46875	60.57
137.045776367188	254645.9375	100

176.857574462891	3244.943359375	1.27
191.558868408203	3635.75805664062	1.43
215.409362792969	3903.9443359375	1.53
254.295944213867	4236.8359375	1.66

RECORD_TITLE: MZ:404.1418 | RT:126.4 | grpid:618 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 404.141845703125
AC$CHROMATOGRAPHY: RETENTION_TIME 126.441198
XCMS groupid (grpid): 618
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
136.061737060547	186923.140625	67.72
137.045791625977	276035.78125	100
149.350723266602	2960.25122070312	1.07
155.559341430664	3138.55590820312	1.14
207.745498657227	2866.4462890625	1.04
305.455352783203	3670.34033203125	1.33

RECORD_TITLE: MZ:407.2017 | RT:72.2 | grpid:625 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 407.20166015625
AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
XCMS groupid (grpid): 625
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
102.055419921875	29241.109375	5.9
104.053215026855	36839.7578125	7.44
109.02864074707	18452.52734375	3.72

276.108459472656	36373.86328125	7.34
293.534423828125	3759.82836914062	0.76
302.942840576172	3783.8955078125	0.76
344.885498046875	3337.09936523438	0.67

RECORD_TITLE: MZ:414.2344 | RT:113.6 | grpid:641 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 414.234375
AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
XCMS groupid (grpid): 641
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
101.072120666504	3460.662109375	2.89
130.050003051758	23700.412109375	19.76
143.118316650391	6467.0634765625	5.39

227.102462768555	13762.5078125	11.47
244.129257202148	119940.1875	100
291.886047363281	3740.046875	3.12
299.767974853516	4064.77465820312	3.39

RECORD_TITLE: MZ:417.2086 | RT:77.5 | grpid:651 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 417.208648681641
AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
XCMS groupid (grpid): 651
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
101.071632385254	21183.01171875	8.79
110.024345397949	4356.50732421875	1.81
115.050491333008	95092.8828125	39.44

325.152770996094	6104.4619140625	2.53
342.175933837891	6313.189453125	2.62
372.336669921875	3619.55493164062	1.5
382.172210693359	4940.5458984375	2.05

RECORD_TITLE: MZ:422.249 | RT:77.3 | grpid:661 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 422.2490234375
AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322
XCMS groupid (grpid): 661
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055618286133	3558.69995117188	20.47
120.081420898438	3910.62768554688	22.49
132.10188293457	4685.72998046875	26.95

241.255187988281	3994.02172851562	22.97
243.135986328125	4222.09765625	24.28
339.154357910156	17388.83984375	100
387.176788330078	4423.681640625	25.44

RECORD_TITLE: MZ:422.249 | RT:77.5 | grpid:661 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 422.248962402344
AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
XCMS groupid (grpid): 661
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
120.080558776855	4530.3798828125	17.86
132.1025390625	3071.50122070312	12.11
152.552886962891	3656.74609375	14.41

339.155120849609	25369.70703125	100
404.268035888672	3815.27880859375	15.04
438.548736572266	3631.70874023438	14.32
442.898986816406	3885.36962890625	15.31

RECORD_TITLE: MZ:423.1868 | RT:84.2 | grpid:664 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 423.186798095703
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 664
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
101.071411132812	46732.83203125	5.16
102.055374145508	88983.625	9.83
103.054443359375	24983.80859375	2.76

258.108184814453	74684.1171875	8.25
276.116180419922	4201.1201171875	0.46
277.118377685547	22414.9140625	2.48
410.809265136719	3803.65478515625	0.42

RECORD_TITLE: MZ:429.1367 | RT:71.2 | grpid:678 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 429.136749267578
AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
XCMS groupid (grpid): 678
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.719017028809	3763.74951171875	0.58
109.076683044434	18840.978515625	2.91
110.071876525879	18479.02734375	2.85

215.073211669922	13744.177734375	2.12
216.080032348633	237749.8125	36.67
217.347595214844	4307.0146484375	0.66
429.138000488281	48227.66796875	7.44

RECORD_TITLE: MZ:429.1367 | RT:71.2 | grpid:678 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 429.136657714844
AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
XCMS groupid (grpid): 678
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
109.076507568359	22044.865234375	3.31
112.021881103516	66717.8671875	10.01
114.025039672852	16686.34765625	2.5

328.149810791016	4235.30517578125	0.64
429.136077880859	48445.8046875	7.27
429.189208984375	7144.87353515625	1.07
443.335296630859	3914.4736328125	0.59

RECORD_TITLE: MZ:429.1368 | RT:71.4 | grpid:678 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 429.136810302734
AC$CHROMATOGRAPHY: RETENTION_TIME 71.396808
XCMS groupid (grpid): 678
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
100.022125244141	4625.44140625	0.64
109.076416015625	19346.69921875	2.69
110.071472167969	8704.068359375	1.21

214.063705444336	40155.98046875	5.58
215.072799682617	20763.31640625	2.88
216.080032348633	214835.734375	29.84
429.137145996094	43531.05078125	6.05

RECORD_TITLE: MZ:429.1367 | RT:71.4 | grpid:678 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 429.136688232422
AC$CHROMATOGRAPHY: RETENTION_TIME 71.396808
XCMS groupid (grpid): 678
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
107.576271057129	4735.4990234375	0.59
109.07649230957	21691.41796875	2.68
110.071670532227	13312.728515625	1.65

215.072387695312	30280.93359375	3.74
216.080032348633	273273.9375	33.79
429.138336181641	53041.6484375	6.56
429.190673828125	6378.42626953125	0.79

RECORD_TITLE: MZ:436.2162 | RT:113.6 | grpid:699 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 436.216247558594
AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
XCMS groupid (grpid): 699
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
114.550689697266	3498.04321289062	3.12
126.055046081543	4136.9013671875	3.69
198.05632019043	3261.10668945312	2.91

308.725555419922	3355.22119140625	3
391.194641113281	36035.12109375	32.18
419.187896728516	22114.62890625	19.75
436.216918945312	111983.46875	100

RECORD_TITLE: MZ:437.26 | RT:82.7 | grpid:705 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 437.259979248047
AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066
XCMS groupid (grpid): 705
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
132.101959228516	26250.365234375	82.02
147.764419555664	3555.626953125	11.11
173.128616333008	14910.4609375	46.59

272.117065429688	3352.75439453125	10.48
338.132080078125	19161.25	59.87
434.605041503906	3691.54809570312	11.53
437.200073242188	32005.328125	100

RECORD_TITLE: MZ:437.26 | RT:82.9 | grpid:705 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 437.260040283203
AC$CHROMATOGRAPHY: RETENTION_TIME 82.86993
XCMS groupid (grpid): 705
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
101.581962585449	3264.87109375	10.21
116.071166992188	3482.65063476562	10.89
132.102020263672	19473.271484375	60.91

319.409149169922	3631.1552734375	11.36
328.813140869141	3904.8525390625	12.21
338.132141113281	23234.115234375	72.68
437.202575683594	31969.298828125	100

RECORD_TITLE: MZ:452.1902 | RT:112.8 | grpid:739 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 452.190155029297
AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446
XCMS groupid (grpid): 739
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
173.128677368164	4687.68310546875	10.24
242.185913085938	4649.87841796875	10.16
431.172515869141	3883.38818359375	8.48
452.188873291016	45768.69140625	100

RECORD_TITLE: MZ:452.1902 | RT:113 | grpid:739 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 452.190155029297
AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
XCMS groupid (grpid): 739
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
102.97029876709	3784.47021484375	9.16
104.049896240234	3122.90185546875	7.56
116.335182189941	3076.12817382812	7.45
116.576026916504	2942.82885742188	7.12
173.128372192383	19179.625	46.43
183.460662841797	3233.1337890625	7.83
452.1904296875	41310.8359375	100

RECORD_TITLE: MZ:461.2099 | RT:76.5 | grpid:757 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 461.209899902344
AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
XCMS groupid (grpid): 757
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
112.037246704102	77182.6015625	4.57
150.591278076172	5008.4482421875	0.3
153.052520751953	54224.6796875	3.21
194.079025268555	6284.025390625	0.37
224.089447021484	78458.5234375	4.65
242.099761962891	1689058.875	100

RECORD_TITLE: MZ:461.2099 | RT:77.5 | grpid:757 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 461.209899902344
AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
XCMS groupid (grpid): 757
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
108.938446044922	3487.57153320312	0.29
110.10814666748	3973.40063476562	0.33
112.037155151367	50994.21484375	4.27

194.078918457031	4671.78271484375	0.39
224.089462280273	48872.16015625	4.09
242.09977722168	1194436.5	100
483.839416503906	4609.6552734375	0.39

RECORD_TITLE: MZ:462.2188 | RT:57.7 | grpid:759 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 462.218811035156
AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356
XCMS groupid (grpid): 759
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
102.055290222168	25408.091796875	7.69
114.073616027832	4833.80419921875	1.46
115.087074279785	4629.81689453125	1.4

272.124145507812	107939.2109375	32.66
274.102722167969	5811.99951171875	1.76
288.119079589844	46286.41015625	14.01
359.028900146484	14643.9267578125	4.43

RECORD_TITLE: MZ:476.1868 | RT:81.2 | grpid:787 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 476.186828613281
AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
XCMS groupid (grpid): 787
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
102.055404663086	20465.25	11.34
102.06177520752	3275.78784179688	1.82
103.278198242188	3364.96044921875	1.86

276.075775146484	5057.33740234375	2.8
292.791442871094	3937.0400390625	2.18
302.142669677734	24162.619140625	13.39
396.660095214844	3955.03051757812	2.19

RECORD_TITLE: MZ:476.187 | RT:81.3 | grpid:787 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 476.186981201172
AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
XCMS groupid (grpid): 787
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
102.055328369141	20673.876953125	11.67
116.070785522461	22201.716796875	12.53
126.055053710938	32399.587890625	18.28

267.132629394531	3835.806640625	2.16
276.075805664062	5290.05908203125	2.99
301.139099121094	8046.48291015625	4.54
302.141845703125	19948.310546875	11.26

RECORD_TITLE: MZ:476.187 | RT:81.3 | grpid:787 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 476.187042236328
AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
XCMS groupid (grpid): 787
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
102.055328369141	22602.8671875	8.37
103.568260192871	3338.787109375	1.24
109.02855682373	5442.65234375	2.02

301.139862060547	19206.294921875	7.11
302.141815185547	33403.7578125	12.37
360.640808105469	4196.35400390625	1.55
480.125091552734	3905.12133789062	1.45

RECORD_TITLE: MZ:487.1776 | RT:66.7 | grpid:812 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 487.177612304688
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 812
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
103.690208435059	5716.66162109375	0.05
112.050834655762	10987300	100
174.621200561523	5244.80419921875	0.05
200.266555786133	5990.37744140625	0.05
244.092468261719	104115.34375	0.95
448.8837890625	6051.86181640625	0.06

RECORD_TITLE: MZ:487.1779 | RT:66.9 | grpid:812 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 487.177856445312
AC$CHROMATOGRAPHY: RETENTION_TIME 66.865908
XCMS groupid (grpid): 812
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
112.050857543945	12582074	100
244.092895507812	124155.421875	0.99
294.906677246094	6473.75732421875	0.05

RECORD_TITLE: MZ:494.1976 | RT:49.9 | grpid:830 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 494.197631835938
AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528
XCMS groupid (grpid): 830
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
102.055335998535	154721.296875	15
102.392883300781	3496.21337890625	0.34
108.04434967041	4591.63720703125	0.45

301.138977050781	93043.8828125	9.02
319.864624023438	4290.947265625	0.42
329.134429931641	7357.294921875	0.71
426.685913085938	4104.65283203125	0.4

RECORD_TITLE: MZ:494.1976 | RT:50.1 | grpid:830 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 494.197631835938
AC$CHROMATOGRAPHY: RETENTION_TIME 50.0837946
XCMS groupid (grpid): 830
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
101.02392578125	4665.49853515625	0.46
102.05541229248	139830.640625	13.9
108.044906616211	7338.142578125	0.73

329.133361816406	18578.4765625	1.85
332.25048828125	4750.3056640625	0.47
342.581665039062	3982.03881835938	0.4
376.824645996094	3809.353515625	0.38

RECORD_TITLE: MZ:498.1687 | RT:81.2 | grpid:840 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 498.168731689453
AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
XCMS groupid (grpid): 840
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
110.071174621582	19027.2734375	1.64
113.020904541016	9368.123046875	0.81
126.054611206055	5812.5556640625	0.5

369.126556396484	840579.1875	72.63
452.164520263672	46214.9140625	3.99
480.158355712891	21752.802734375	1.88
498.169158935547	1157278.375	100

RECORD_TITLE: MZ:498.1689 | RT:81.3 | grpid:840 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 498.168914794922
AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
XCMS groupid (grpid): 840
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
106.049766540527	6611.89404296875	0.52
110.071022033691	19734.185546875	1.56
113.020729064941	9306.251953125	0.74

369.126617431641	931572.6875	73.6
452.164489746094	61435.125	4.85
480.157287597656	16194.7509765625	1.28
498.169281005859	1265792.25	100

RECORD_TITLE: MZ:498.1697 | RT:81.3 | grpid:840 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 498.169708251953
AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
XCMS groupid (grpid): 840
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
101.778099060059	3795.03295898438	25.33
109.610725402832	3484.1552734375	23.26
159.81298828125	3442.19995117188	22.98

308.5830078125	4018.92358398438	26.83
311.841857910156	3540.38208007812	23.63
369.124267578125	5257.81591796875	35.1
498.169372558594	14981.3701171875	100

RECORD_TITLE: MZ:499.2504 | RT:129.3 | grpid:843 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 499.250396728516
AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086
XCMS groupid (grpid): 843
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
118.086380004883	7052.74462890625	0.36
119.035583496094	4770.26611328125	0.24
137.045806884766	1959734	100

185.164245605469	6015.66552734375	0.31
188.177719116211	3627.47534179688	0.19
231.17024230957	75057.1484375	3.83
473.909973144531	4030.2705078125	0.21

RECORD_TITLE: MZ:499.2504 | RT:129.5 | grpid:843 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 499.250396728516
AC$CHROMATOGRAPHY: RETENTION_TIME 129.525558
XCMS groupid (grpid): 843
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
110.034912109375	5403.05908203125	0.28
118.08659362793	4443.796875	0.23
137.045791625977	1921419.375	100