comparison test-data/createMSP_output_scans_all.msp @ 14:64a315b27e1c draft default tip

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cb903cd93f9378cfb5eeb68512a54178dcea7bbc

13:e1a2d0616d80

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

14:64a315b27e1c

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:1.12.0 
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:1.12.0 
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:1.12.0 
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:1.12.0 
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:1.12.0 
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

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:1.12.0 
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:1.12.0 
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

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:1.12.0 
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:1.12.0 
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

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:1.12.0 
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:1.12.0 
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:1.12.0 
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:1.12.0 
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:1.12.0 
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:1.12.0 
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:1.12.0 
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:1.12.0 
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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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:1.12.0 
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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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

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:1.12.0 
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