comparison test-data/createMSP_output_av_intra.msp @ 12:2c8b5a640a04 draft

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

11:7e4a5ce0877d

RECORD_TITLE:  MZ:112.0508 | RT:67.5 | grpid:12 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484
AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
112.050888061523	440629.6875	100

RECORD_TITLE:  MZ:112.0508 | RT:67.5 | grpid:12 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484
AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
112.050880432129	565117.25	100
126.53768157959	2499.31469726562	0.44

RECORD_TITLE:  MZ:113.0354 | RT:83.4 | grpid:14 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 14
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
113.034782409668	13262784	100

RECORD_TITLE:  MZ:113.0354 | RT:83.4 | grpid:14 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 14
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
112.999992370605	67035.0703125	0.84
113.034805297852	7964904.5	100

RECORD_TITLE:  MZ:116.0706 | RT:47.7 | grpid:17 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
116.016784667969	5682.14404296875	3.8
116.070899963379	149471.265625	100
116.10725402832	6152.61499023438	4.12

RECORD_TITLE:  MZ:116.0706 | RT:47.7 | grpid:17 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
116.016510009766	3662.43212890625	2.21
116.070892333984	165623.640625	100
116.107261657715	6898.55065917969	4.17

RECORD_TITLE:  MZ:132.1018 | RT:73.5 | grpid:41 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179
AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
132.102035522461	273406.25	100

RECORD_TITLE:  MZ:132.1018 | RT:73.5 | grpid:41 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179
AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
132.102035522461	402822.6875	100

RECORD_TITLE:  MZ:137.0456 | RT:127 | grpid:47 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 47
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
104.860054016113	30638.400390625	0.18
110.028198242188	67928.296875	0.4
110.035266876221	733295.444335938	4.35

136.124038696289	2269.25805664062	0.01
137.045845031738	16858602.5	100
138.030548095703	43127.65234375	0.26
154.112442016602	2006.76232910156	0.01

RECORD_TITLE:  MZ:137.0456 | RT:127 | grpid:47 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 47
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
109.06566619873	2550.77392578125	0.04
110.035278320312	290341.673828125	4.45
112.050743103027	12029.1610107422	0.18

128.04508972168	18434.0234375	0.28
137.04581451416	6519742.5	100
138.029312133789	2125.6455078125	0.03
159.283874511719	2343.61376953125	0.04

RECORD_TITLE:  MZ:138.0547 | RT:50.7 | grpid:48 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982
AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
110.060348510742	36283.7578125	6.69
110.072189331055	8668.18530273438	1.6
138.054916381836	542459.3125	100

RECORD_TITLE:  MZ:138.0547 | RT:50.7 | grpid:48 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982
AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
110.060356140137	32966.80859375	8.97
138.054885864258	367633.15625	100

RECORD_TITLE:  MZ:138.0487 | RT:127 | grpid:49 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 49
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
110.035133361816	4197.11962890625	1.03
111.032066345215	2933.20043945312	0.72
111.03865814209	19436.671875	4.75
120.031585693359	3442.69409179688	0.84
120.038940429688	10890.13671875	2.66
131.267166137695	2650.74243164062	0.65
138.049896240234	408864.25	100

RECORD_TITLE:  MZ:138.0487 | RT:127 | grpid:49 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 49
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
111.032066345215	4279.24560546875	0.77
111.038848876953	24677.09765625	4.42
120.038902282715	18950.03125	3.39
137.396865844727	3584.59228515625	0.64
138.05012512207	558628.8125	100

RECORD_TITLE:  MZ:140.0678 | RT:46.2 | grpid:51 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 51
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
108.959754943848	2408.8056640625	0.09
114.089195251465	280537.40625	10.59
140.068115234375	2649786.75	100
143.032638549805	2735.88037109375	0.1

RECORD_TITLE:  MZ:140.0678 | RT:46.2 | grpid:51 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 51
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
114.089164733887	856653.625	10.81
140.068130493164	7923872	100

RECORD_TITLE:  MZ:146.1174 | RT:46.2 | grpid:62 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 62
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
100.021820068359	11993.6435546875	1
101.070411682129	2306.69653320312	0.19
102.055847167969	2466.92114257812	0.21

146.059936523438	9525.1728515625	0.8
146.117546081543	1193844	100
147.075866699219	2905.49487304688	0.24
150.785629272461	2500.5302734375	0.21

RECORD_TITLE:  MZ:146.1174 | RT:46.2 | grpid:62 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 62
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
100.021903991699	25367.83984375	0.29
108.055786132812	12792.4772949219	0.15
112.465751647949	20960.951171875	0.24

144.766357421875	23252.271484375	0.27
146.028137207031	3722.75390625	0.04
146.059906005859	12109.3056640625	0.14
146.117530822754	8768827.90625	100

RECORD_TITLE:  MZ:147.0438 | RT:70.5 | grpid:63 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 63
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
101.071262359619	3886.935546875	0.12
102.047164916992	3041.80541992188	0.09
102.05525970459	4850.5537109375	0.15

136.545654296875	2581.0390625	0.08
147.043960571289	965761.59375	28.93
147.112770080566	13741.1342773438	0.41
160.075386047363	7738.67065429688	0.23

RECORD_TITLE:  MZ:147.0438 | RT:70.5 | grpid:63 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 63
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
101.071437835693	3147.69982910156	0.1
102.055274963379	3918.08203125	0.12
103.054634094238	204152.4375	6.38

147.080383300781	14796.041015625	0.46
147.112525939941	5690.29125976562	0.18
152.669158935547	2885.892578125	0.09
160.076179504395	3540.6630859375	0.11

RECORD_TITLE:  MZ:148.0427 | RT:64.4 | grpid:66 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 66
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
102.001251220703	418360.65625	27.27
102.037628173828	26940.125	1.76
102.055305480957	31787.623046875	2.07

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

RECORD_TITLE:  MZ:148.0427 | RT:64.4 | grpid:66 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 66
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
102.00122833252	571447.9375	28.8
102.037757873535	37633.34765625	1.9
102.055305480957	19940.044921875	1.01

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

RECORD_TITLE:  MZ:149.0263 | RT:91.2 | grpid:67 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704
AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956
XCMS groupid (grpid): 67
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
104.016586303711	38437.609375	1.57
109.031661987305	21351.47265625	0.87
111.011131286621	2452703.75	100

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

RECORD_TITLE:  MZ:149.0263 | RT:91.2 | grpid:67 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704
AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956
XCMS groupid (grpid): 67
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
104.0166015625	32986.94921875	1.39
109.032051086426	26353.259765625	1.11
110.097152709961	2624.76928710938	0.11

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

RECORD_TITLE:  MZ:150.0582 | RT:62.9 | grpid:68 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 68
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
101.579109191895	20766.212890625	0.29
102.055431365967	2102817.74414062	29.74
103.99649810791	3555.7119140625	0.05

150.09162902832	3476.15454101562	0.05
150.112930297852	3834.1953125	0.05
150.127395629883	4024.62670898438	0.06
155.097625732422	22783.2734375	0.32

RECORD_TITLE:  MZ:150.0582 | RT:62.9 | grpid:68 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 68
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
102.055393218994	2337654.50390625	28.72
103.997314453125	2148.16162109375	0.03
104.053230285645	8140050.40625	100

150.058059692383	994071.249511719	12.21
150.090744018555	4340.6669921875	0.05
150.112060546875	5071.3125	0.06
150.128646850586	2830.20849609375	0.03

RECORD_TITLE:  MZ:153.0407 | RT:84.2 | grpid:72 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
100.120269775391	2219.037109375	0.05
107.085754394531	12394.3017578125	0.28
108.01936340332	17292.517578125	0.39

153.127243041992	12641.9697265625	0.28
154.024688720703	1908936.8125	42.83
158.011642456055	3504.88745117188	0.08
168.04069519043	26535.353515625	0.6

RECORD_TITLE:  MZ:153.0407 | RT:84.2 | grpid:72 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
107.08570098877	6882.98583984375	0.3
108.01944732666	4910.62548828125	0.22
110.035224914551	821798	36.3

136.01416015625	548141.125	24.21
153.04069519043	2264089.75	100
153.127418518066	11725.7854003906	0.52
154.024642944336	1115687.625	49.28

RECORD_TITLE:  MZ:156.0762 | RT:47.7 | grpid:75 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
110.071613311768	231401.40625	50.67
111.068412780762	74264.7734375	16.26
111.074989318848	456690.28125	100
130.062957763672	212641.395141602	46.56
139.111877441406	3248.52099609375	0.71
157.080718994141	81711.703125	17.89
157.097686767578	8786.46240234375	1.92

RECORD_TITLE:  MZ:156.0762 | RT:47.7 | grpid:75 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
110.071636199951	235131.21875	47.69
111.068435668945	76372.7890625	15.49
111.075004577637	493008.875	100
121.10139465332	2579.52172851562	0.52
139.086585998535	11337.1794433594	2.3
157.080718994141	79274.4609375	16.08

RECORD_TITLE:  MZ:158.0912 | RT:43.9 | grpid:77 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 77
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.091850280762	34783.19921875	10.7
107.244758605957	2121.91967773438	0.65
110.07160949707	3791.80151367188	1.17

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

RECORD_TITLE:  MZ:158.0912 | RT:43.9 | grpid:77 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 77
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
102.091728210449	38012.30078125	14
110.071365356445	5420.17724609375	2
112.079177856445	4014.5673828125	1.48

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

RECORD_TITLE:  MZ:164.93 | RT:40.2 | grpid:88 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987
AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702
XCMS groupid (grpid): 88
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
113.554153442383	2184.888671875	0.2
164.930191040039	1087757.25	100
165.09033203125	2780.28442382812	0.26

RECORD_TITLE:  MZ:164.93 | RT:40.2 | grpid:88 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987
AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702
XCMS groupid (grpid): 88
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
140.266235351562	2726.23486328125	0.26
164.930282592773	1068471.625	100

RECORD_TITLE:  MZ:165.0545 | RT:70.5 | grpid:89 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 89
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
103.047622680664	7486.65576171875	0.25
103.054714202881	125062.22265625	4.19
105.044769287109	26794.7265625	0.9

147.043991088867	568027.22265625	19.02
164.070602416992	15849.2646484375	0.53
165.054588317871	150700.666015625	5.05
165.091033935547	3725.4970703125	0.12

RECORD_TITLE:  MZ:165.0545 | RT:70.5 | grpid:89 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 89
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
100.539291381836	3935.75927734375	0.04
103.054618835449	417247.46875	4.08
105.044906616211	40683.4765625	0.4

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

RECORD_TITLE:  MZ:170.0922 | RT:61.4 | grpid:97 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
107.060668945312	13947.8642578125	0.27
109.076377868652	875055.4375	16.84
124.087074279785	5196432	100

126.102600097656	31464.376953125	0.61
153.064628601074	7258.8037109375	0.14
153.075119018555	9385.91162109375	0.18
170.092407226562	1208969.5	23.27

RECORD_TITLE:  MZ:170.0922 | RT:61.4 | grpid:97 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
107.060707092285	15373.5869140625	0.26
109.07633972168	978256.6875	16.52
124.087051391602	5920406.5	100

126.1025390625	21559.130859375	0.36
152.082084655762	6166.54272460938	0.1
153.065475463867	16002.173828125	0.27
170.092330932617	1292886.25	21.84

RECORD_TITLE:  MZ:178.0573 | RT:45.4 | grpid:106 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919
AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
XCMS groupid (grpid): 106
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
105.042701721191	18699.494140625	1.23
132.053298950195	6451.77587890625	0.42
133.037292480469	317993.375	20.91

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

RECORD_TITLE:  MZ:178.0573 | RT:45.4 | grpid:106 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919
AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
XCMS groupid (grpid): 106
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
105.042724609375	14917.9775390625	0.99
119.994201660156	3506.71118164062	0.23
133.037322998047	331483.9375	22.1

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

RECORD_TITLE:  MZ:182.081 | RT:70.5 | grpid:114 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
103.054737091064	89136.0625	1.38
107.049491882324	74543.10546875	1.15
109.065074920654	71908.650390625	1.11

137.059684753418	38162.0966796875	0.59
147.043930053711	1345759.5625	20.79
165.054565429688	2610728.125	40.34
182.081016540527	250897.15625	3.88

RECORD_TITLE:  MZ:182.081 | RT:70.5 | grpid:114 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
103.054626464844	137720.703125	2.02
107.049423217773	96081.14453125	1.41
109.065078735352	102238.60546875	1.5

137.059692382812	70678.93359375	1.04
147.043983459473	1979512.625	29.06
165.054588317871	3915205.25	57.47
182.081062316895	362055.0546875	5.31

RECORD_TITLE:  MZ:189.1238 | RT:49.2 | grpid:127 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215
AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402
XCMS groupid (grpid): 127
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
115.086784362793	8240.8359375	2.82
116.070785522461	66374.9765625	22.72
118.086532592773	292157.0625	100

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

RECORD_TITLE:  MZ:189.1238 | RT:49.2 | grpid:127 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215
AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402
XCMS groupid (grpid): 127
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
115.08699798584	16498.677734375	14.45
116.070922851562	114139.1640625	100
118.086608886719	16398.6328125	14.37

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

RECORD_TITLE:  MZ:191.0419 | RT:41.7 | grpid:131 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 191.041908724489
AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
XCMS groupid (grpid): 131
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055397033691	6061.30029296875	0.19
111.853385925293	4386.8701171875	0.14
115.874839782715	4441.072265625	0.14

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

RECORD_TITLE:  MZ:192.07 | RT:121.8 | grpid:134 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 192.070004316993
AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
XCMS groupid (grpid): 134
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
102.055397033691	3442.68041992188	4.92
104.053359985352	70038.1953125	100
133.031921386719	29066.0625	41.5

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

RECORD_TITLE:  MZ:194.034 | RT:45.4 | grpid:136 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316
AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
XCMS groupid (grpid): 136
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
103.315864562988	2078.95581054688	54.54
158.081451416016	3618.328125	94.92
194.032531738281	3812.11279296875	100

RECORD_TITLE:  MZ:194.034 | RT:45.4 | grpid:136 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316
AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
XCMS groupid (grpid): 136
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
125.504974365234	2372.77172851562	68.39
141.887588500977	2384.751953125	68.73
146.027267456055	2972.51196289062	85.68
158.080490112305	2836.72119140625	81.76
194.032562255859	3469.51000976562	100

RECORD_TITLE:  MZ:200.039 | RT:43.9 | grpid:143 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 143
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
117.042617797852	6342.0810546875	0.31
117.987678527832	68211.828125	3.37
127.032531738281	20582.015625	1.02

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

RECORD_TITLE:  MZ:200.039 | RT:43.9 | grpid:143 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 143
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
112.010238647461	2995.43188476562	0.14
117.042633056641	5056.5439453125	0.24
117.987663269043	71179.4375	3.38

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

RECORD_TITLE:  MZ:203.139 | RT:72 | grpid:150 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186
AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
116.071155548096	20653.5434570312	5.02
119.019195556641	2770.42236328125	0.67
125.07137298584	5385.11376953125	1.31

203.138000488281	101691.2578125	24.7
203.139312744141	47779.91796875	11.61
203.152862548828	19752.5390625	4.8
204.817932128906	6029.38134765625	1.46

RECORD_TITLE:  MZ:203.139 | RT:72 | grpid:150 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186
AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
116.07096862793	14099.0009765625	6.95
132.102005004883	202760.515625	100
157.133499145508	13804.431640625	6.81
161.095993041992	10988.53515625	5.42
203.152351379395	9337.64099121094	4.61

RECORD_TITLE:  MZ:204.1213 | RT:56.8 | grpid:152 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641
AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
103.039367675781	4378.82373046875	0.71
116.070835113525	52000.734375	8.43
117.074249267578	73425.046875	11.9

144.101837158203	81904.890625	13.28
145.049530029297	242301.34375	39.28
162.07600402832	4448.66784667969	0.72
204.122970581055	616905.6875	100

RECORD_TITLE:  MZ:204.1213 | RT:56.8 | grpid:152 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641
AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
101.024070739746	2549.65844726562	0.05
103.039604187012	44728.91015625	0.93
103.384941101074	28550.306640625	0.6

173.963897705078	26845.693359375	0.56
186.075775146484	5275.0185546875	0.11
186.56770324707	2513.05346679688	0.05
204.122985839844	4792410.6953125	100

RECORD_TITLE:  MZ:207.016 | RT:41.8 | grpid:158 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 207.015970241864
AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645
XCMS groupid (grpid): 158
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
102.055213928223	14664.9248046875	10.68
104.992233276367	2625.12451171875	1.91
120.00316619873	3167.53002929688	2.31

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

RECORD_TITLE:  MZ:214.0624 | RT:55.4 | grpid:172 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 214.06240374159
AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188
XCMS groupid (grpid): 172
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
100.022003173828	18210.814453125	0.48
112.021865844727	105520.359375	2.8
112.029098510742	4534.3564453125	0.12

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

RECORD_TITLE:  MZ:218.1384 | RT:89.6 | grpid:180 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909
AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
159.066215515137	3238.22875976562	37.5
218.138641357422	8636.0166015625	100

RECORD_TITLE:  MZ:218.1384 | RT:89.6 | grpid:180 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909
AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
129.054916381836	3304.31335449219	22.97
218.138702392578	14387.341796875	100

RECORD_TITLE:  MZ:219.1345 | RT:84.2 | grpid:182 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 182
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
117.065925598145	4331.37890625	0.21
119.085418701172	4587.7412109375	0.23
121.101333618164	5698.80517578125	0.28

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

RECORD_TITLE:  MZ:219.1345 | RT:84.2 | grpid:182 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 182
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
105.063270568848	4203.001953125	0.18
110.096893310547	4522.54443359375	0.19
112.11270904541	5338.60205078125	0.23

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

RECORD_TITLE:  MZ:227.1131 | RT:46.9 | grpid:199 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597
AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
XCMS groupid (grpid): 199
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
109.063865661621	3976.69848632812	0.09
110.071586608887	4306134.625	100
111.055419921875	13536.3588867188	0.31

224.923370361328	3780.64306640625	0.09
227.097503662109	23334.078125	0.54
227.113647460938	218042	5.06
227.117202758789	104483.0078125	2.43

RECORD_TITLE:  MZ:227.1131 | RT:46.9 | grpid:199 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597
AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
XCMS groupid (grpid): 199
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
109.063323974609	4221.65771484375	0.09
110.071586608887	4907007.625	100
111.055290222168	20111.91796875	0.41

209.104507446289	41406.42578125	0.84
210.087196350098	814492.96875	16.6
227.113571166992	237832.515625	4.85
227.117202758789	149649.421875	3.05

RECORD_TITLE:  MZ:229.1544 | RT:110.4 | grpid:205 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191
AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
114.055233001709	73183.349609375	6.61
114.091724395752	26766.3896484375	2.42
116.070861816406	18596.2734375	1.68

142.086227416992	600968.9375	54.28
170.081062316895	40555.919921875	3.66
183.112739562988	113964.578125	10.29
229.15461730957	1107156.0546875	100

RECORD_TITLE:  MZ:229.1544 | RT:110.4 | grpid:205 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191
AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
114.055229187012	60647.390625	5.08
114.091598510742	41155.61328125	3.45
116.07075881958	25772.126953125	2.16

155.118011474609	11454.3654785156	0.96
170.080909729004	44685.794921875	3.74
183.11270904541	141906.015625	11.88
229.154541015625	1194618.0703125	100

RECORD_TITLE:  MZ:230.1402 | RT:116.8 | grpid:206 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093
AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
100.23999786377	2375.47680664062	3.67
134.948608398438	2629.12426757812	4.06
144.102401733398	5664.46728515625	8.75

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

RECORD_TITLE:  MZ:230.1402 | RT:116.8 | grpid:206 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093
AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
103.442092895508	2566.20703125	3.91
118.637107849121	2638.11669921875	4.02
133.330627441406	2652.22534179688	4.05

204.917419433594	2715.51708984375	4.14
230.046417236328	4664.95068359375	7.12
230.138244628906	65551.83984375	100
230.155090332031	8631.9453125	13.17

RECORD_TITLE:  MZ:231.1694 | RT:130.8 | grpid:209 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829
AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
XCMS groupid (grpid): 209
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
111.466903686523	3197.19702148438	13.95
116.07112121582	3271.9736328125	14.27
118.086364746094	22924.626953125	100
132.357925415039	2541.77392578125	11.09
179.655456542969	2593.84716796875	11.31
185.16487121582	4451.75	19.42
231.170959472656	13349.1865234375	58.23

RECORD_TITLE:  MZ:231.1694 | RT:130.8 | grpid:209 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829
AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
XCMS groupid (grpid): 209
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
116.427024841309	2544.30590820312	8.85
118.086326599121	28757.314453125	100
134.190277099609	2779.22607421875	9.66
185.16487121582	11899.6162109375	41.38
231.170867919922	12690.720703125	44.13
242.216293334961	3109.39599609375	10.81

RECORD_TITLE:  MZ:233.1492 | RT:66.7 | grpid:214 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
101.071445465088	51549.6220703125	22.16
102.055347442627	66484.62109375	28.58
120.065692901611	232610.4609375	100

152.106994628906	4649.77038574219	2
187.144264221191	187231.80078125	80.49
215.139007568359	48739.20703125	20.95
233.149719238281	36277.1650390625	15.6

RECORD_TITLE:  MZ:233.1492 | RT:66.7 | grpid:214 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
102.055397033691	51696.87890625	22.8
120.065738677979	226702.9609375	100
130.049781799316	45556.30859375	20.1

142.122772216797	8058.5205078125	3.55
187.14395904541	12489.4829101562	5.51
215.139099121094	40721.81640625	17.96
233.149711608887	37191.212890625	16.41

RECORD_TITLE:  MZ:244.9534 | RT:41 | grpid:234 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716
AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952
XCMS groupid (grpid): 234
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
104.992713928223	340494.65625	100
134.018981933594	6148.11669921875	1.81
162.950485229492	3323.24096679688	0.98

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

RECORD_TITLE:  MZ:244.9534 | RT:41 | grpid:234 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716
AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952
XCMS groupid (grpid): 234
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
104.992698669434	416298.96875	100
104.999923706055	7185.41552734375	1.73
134.019241333008	22449.341796875	5.39

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

RECORD_TITLE:  MZ:245.0766 | RT:83.4 | grpid:235 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 235
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
102.847290039062	7233.47998046875	0.33
103.039291381836	12718.3603515625	0.58
113.034873962402	2177657.75	100

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

RECORD_TITLE:  MZ:245.0766 | RT:83.4 | grpid:235 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 235
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
103.039436340332	8101.8408203125	0.42
113.034912109375	1941275.5	100
115.039443969727	48567.2734375	2.5

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

RECORD_TITLE:  MZ:246.1449 | RT:56 | grpid:238 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526
AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412
XCMS groupid (grpid): 238
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
100.075866699219	14307.3046875	1.48
101.071304321289	77612.53125	8.03
101.107765197754	13628.1044921875	1.41

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

RECORD_TITLE:  MZ:246.1449 | RT:56 | grpid:238 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526
AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412
XCMS groupid (grpid): 238
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
100.076126098633	13507.232421875	1.34
101.071449279785	79448.5546875	7.91
101.10791015625	12414.9365234375	1.24

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

RECORD_TITLE:  MZ:247.1285 | RT:62.9 | grpid:241 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
138.091659545898	13378.8500976562	21.8
183.112693786621	61367.470703125	100
229.118995666504	14858.046875	24.21
247.129051208496	17786.4794921875	28.98

RECORD_TITLE:  MZ:247.1285 | RT:62.9 | grpid:241 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
155.117858886719	15192.2561035156	20.49
183.112770080566	74141.34765625	100
229.11840057373	15723.8720703125	21.21
247.128791809082	21589.623046875	29.12

RECORD_TITLE:  MZ:249.0948 | RT:43.9 | grpid:246 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 246
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
100.417434692383	3012.53979492188	0.25
110.071434020996	52747.71484375	4.38
112.03719329834	1204596.875	100

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

RECORD_TITLE:  MZ:249.0948 | RT:43.9 | grpid:246 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 246
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
102.05534362793	5758.3828125	0.61
110.071769714355	39500.23828125	4.2
112.037246704102	940339.1875	100

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

RECORD_TITLE:  MZ:253.152 | RT:130.8 | grpid:254 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701
AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
XCMS groupid (grpid): 254
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
107.091743469238	2954.37670898438	3.89
110.071716308594	33523.06640625	44.11
120.081520080566	3132.15551757812	4.12

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

RECORD_TITLE:  MZ:253.152 | RT:130.8 | grpid:254 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701
AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
XCMS groupid (grpid): 254
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
107.339874267578	2320.88403320312	2.8
110.071655273438	38185.00390625	46.14
115.528038024902	2485.31811523438	3

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

RECORD_TITLE:  MZ:260.16 | RT:64.4 | grpid:268 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
101.07137298584	159622.4765625	36.51
101.107887268066	10705.1762695312	2.45
102.055473327637	29658.279296875	6.78

242.149703979492	437216.94140625	100
243.133697509766	61300.603515625	14.02
260.160217285156	128216.2578125	29.33
260.196762084961	14821.4155273438	3.39

RECORD_TITLE:  MZ:260.16 | RT:64.4 | grpid:268 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
101.071388244629	70008.265625	9.52
101.107944488525	11458.4409179688	1.56
102.05549621582	22510.1015625	3.06

197.128410339355	65488.1416015625	8.9
243.133796691895	57645.177734375	7.84
260.160171508789	46796.5615234375	6.36
260.196014404297	27617.501953125	3.76

RECORD_TITLE:  MZ:263.1945 | RT:74.3 | grpid:278 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713
AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424
XCMS groupid (grpid): 278
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
104.229377746582	2670.97973632812	20.32
125.071014404297	2436.50610351562	18.53
126.956985473633	2508.49682617188	19.08

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

RECORD_TITLE:  MZ:263.1945 | RT:74.3 | grpid:278 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713
AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424
XCMS groupid (grpid): 278
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
102.054862976074	2515.89672851562	15.73
107.425888061523	3018.11962890625	18.88
115.45637512207	3103.68212890625	19.41

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

RECORD_TITLE:  MZ:265.0719 | RT:46.2 | grpid:282 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 282
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
100.917625427246	6046.6025390625	8.42
114.893188476562	23901.982421875	33.29
120.00350189209	50695.48046875	70.6

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

RECORD_TITLE:  MZ:265.0719 | RT:46.2 | grpid:282 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 282
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
100.917533874512	5757.15771484375	7.77
114.893119812012	28334.666015625	38.23
116.069046020508	2184.07983398438	2.95

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

RECORD_TITLE:  MZ:268.9977 | RT:42.4 | grpid:298 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 298
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
104.992698669434	3048620	100
112.89591217041	40926.08984375	1.34
123.003486633301	4431.7578125	0.15

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

RECORD_TITLE:  MZ:268.9977 | RT:42.4 | grpid:298 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 298
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
104.992706298828	1722148.25	100
112.896064758301	66524.015625	3.86
113.738670349121	3244.43115234375	0.19

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

RECORD_TITLE:  MZ:272.1708 | RT:59.1 | grpid:303 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479
AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
XCMS groupid (grpid): 303
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
100.076187133789	11787.0771484375	1.58
110.071624755859	6275.3115234375	0.84
112.087253570557	252621.90625	33.96

238.11897277832	25840.982421875	3.47
254.161102294922	77688.982421875	10.44
255.14493560791	202720.796875	27.25
272.171401977539	743813.09375	100

RECORD_TITLE:  MZ:272.1708 | RT:59.1 | grpid:303 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479
AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
XCMS groupid (grpid): 303
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
100.076290130615	15373.1440429688	2.3
110.023941040039	4066.50732421875	0.61
110.071594238281	5312.72412109375	0.8

255.11735534668	6694.04296875	1
255.122634887695	4730.10205078125	0.71
255.14493560791	192567.875	28.86
272.171432495117	667302.1875	100

RECORD_TITLE:  MZ:274.1757 | RT:93.5 | grpid:306 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697
AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
XCMS groupid (grpid): 306
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
101.068878173828	3083.6005859375	2.14
111.12141418457	2919.10546875	2.03
115.086715698242	3843.61743164062	2.67

199.144088745117	10817.66796875	7.51
203.91975402832	2890.12939453125	2.01
213.804061889648	2904.75952148438	2.02
293.943817138672	3003.84594726562	2.09

RECORD_TITLE:  MZ:274.1757 | RT:93.5 | grpid:306 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697
AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
XCMS groupid (grpid): 306
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
107.794586181641	2516.4248046875	1.77
115.086883544922	4926.205078125	3.47
134.339370727539	3014.974609375	2.12

185.144317626953	3739.43701171875	2.63
199.144180297852	6829.45703125	4.81
240.998413085938	3096.86401367188	2.18
244.528472900391	3161.3740234375	2.23

RECORD_TITLE:  MZ:277.1029 | RT:34 | grpid:311 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 311
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055252075195	19285.34375	57.12
103.058700561523	11779.50390625	34.89
121.485000610352	2537.43798828125	7.52

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

RECORD_TITLE:  MZ:277.1029 | RT:34 | grpid:311 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 311
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
101.117088317871	2863.08325195312	2.86
102.055404663086	61140.71484375	61.11
103.05867767334	48864.07421875	48.84

260.096435546875	13470.7333984375	13.46
261.079376220703	10932.662109375	10.93
278.105987548828	5054.4541015625	5.05
296.483093261719	2672.47143554688	2.67

RECORD_TITLE:  MZ:279.1033 | RT:63.7 | grpid:313 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 279.103270568746
AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916
XCMS groupid (grpid): 313
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
102.055374145508	99060.15625	12.22
104.053268432617	810346.25	100
105.037216186523	4860.92724609375	0.6

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

RECORD_TITLE:  MZ:280.0487 | RT:70.5 | grpid:315 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 315
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
116.985786437988	33421.9296875	31
120.081001281738	11129.6591796875	10.32
123.669364929199	2818.08227539062	2.61

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

RECORD_TITLE:  MZ:280.0487 | RT:70.5 | grpid:315 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 315
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
116.986145019531	90175.0546875	39.39
122.500762939453	2979.67431640625	1.3
126.041282653809	2491.48876953125	1.09

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

RECORD_TITLE:  MZ:281.1525 | RT:75 | grpid:320 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442
AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038
XCMS groupid (grpid): 320
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
101.264610290527	2750.7802734375	0.33
103.05460357666	25212.22265625	3.05
120.081024169922	825684.1875	100

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

RECORD_TITLE:  MZ:281.1525 | RT:75 | grpid:320 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442
AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038
XCMS groupid (grpid): 320
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
103.054763793945	34028.828125	3.95
119.951507568359	2629.16333007812	0.31
120.081024169922	861520.9375	100

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

RECORD_TITLE:  MZ:285.0838 | RT:83.4 | grpid:329 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 329
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
103.039367675781	34832.5	1.31
110.035171508789	114180.3125	4.3
110.071548461914	6402.4853515625	0.24

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

RECORD_TITLE:  MZ:285.0838 | RT:83.4 | grpid:329 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 329
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
102.877166748047	11391.2080078125	0.37
103.039497375488	49776.1201171875	1.62
108.379875183105	10036.453125	0.33

169.74462890625	11478.4873046875	0.37
276.099914550781	12241.7314453125	0.4
283.922821044922	10031.16015625	0.33
301.9716796875	10684.52734375	0.35

RECORD_TITLE:  MZ:287.052 | RT:43.2 | grpid:332 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 287.052049791825
AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192
XCMS groupid (grpid): 332
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
111.116577148438	2635.97485351562	3.74
113.805793762207	2529.7333984375	3.59
127.086990356445	3527.62426757812	5

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

RECORD_TITLE:  MZ:292.1947 | RT:44.8 | grpid:346 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 292.194651731624
AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376
XCMS groupid (grpid): 346
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
112.08748626709	146886.8125	0.82
112.094039916992	21488.705078125	0.12
113.071746826172	19570.8203125	0.11

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

RECORD_TITLE:  MZ:294.1544 | RT:92.7 | grpid:350 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209
AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
100.039722442627	12031.2099609375	2.54
100.112457275391	5225.68493652344	1.1
112.039657592773	32027.3125	6.77

248.148956298828	50961.2109375	10.77
258.133422851562	269774.625	57.01
276.144012451172	289220.21875	61.12
294.143478393555	9554.22521972656	2.02

RECORD_TITLE:  MZ:294.1544 | RT:92.7 | grpid:350 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209
AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
100.039489746094	6522.14233398438	1.53
100.112659454346	4946.25122070312	1.16
112.039413452148	31784.515625	7.46

230.138656616211	425898.21875	100
248.149322509766	51917.765625	12.19
258.133483886719	255259.734375	59.93
276.143981933594	275148.625	64.6

RECORD_TITLE:  MZ:295.1284 | RT:76.5 | grpid:353 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131
AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
XCMS groupid (grpid): 353
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
102.055305480957	141662.953125	1.78
103.047660827637	9096.5048828125	0.11
103.054672241211	264597.71875	3.33

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

RECORD_TITLE:  MZ:295.1284 | RT:76.5 | grpid:353 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131
AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
XCMS groupid (grpid): 353
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
102.055358886719	142350.5625	1.73
103.047714233398	7654.904296875	0.09
103.054664611816	271591.96875	3.3

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

RECORD_TITLE:  MZ:296.0658 | RT:42.4 | grpid:354 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 354
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
104.107498168945	63030.7290039062	53.86
110.071670532227	76296.015625	65.19
115.257781982422	2642.28344726562	2.26

281.073272705078	3693.57568359375	3.16
298.067657470703	6471.38916015625	5.53
298.096527099609	23370.763671875	19.97
298.135314941406	24276.166015625	20.74

RECORD_TITLE:  MZ:296.0658 | RT:42.4 | grpid:354 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 354
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
102.501098632812	2634.53149414062	0.88
103.752471923828	3372.3203125	1.13
104.107360839844	41061.3452148438	13.78

297.119445800781	5748.119140625	1.93
298.067443847656	8395.75	2.82
298.100677490234	33910.890625	11.38
298.133453369141	5547.06982421875	1.86

RECORD_TITLE:  MZ:302.1706 | RT:88.9 | grpid:369 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843
AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
XCMS groupid (grpid): 369
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
111.092044830322	3689.33081054688	1.1
114.091567993164	2964.439453125	0.88
116.070892333984	336741.171875	100

203.102439880371	95567.90234375	28.38
213.087356567383	9628.05590820312	2.86
269.900512695312	3120.37036132812	0.93
284.158935546875	3037.86303710938	0.9

RECORD_TITLE:  MZ:302.1706 | RT:88.9 | grpid:369 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843
AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
XCMS groupid (grpid): 369
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
106.602005004883	2616.6298828125	0.82
107.888076782227	2649.7861328125	0.83
111.537490844727	2589.2255859375	0.81

207.951904296875	2900.83618164062	0.9
213.085845947266	4722.02392578125	1.47
213.087280273438	3746.56909179688	1.17
218.32536315918	3366.72143554688	1.05

RECORD_TITLE:  MZ:303.1651 | RT:61.4 | grpid:373 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
101.071479797363	17822.0859375	15.54
110.024024963379	15201.4501953125	13.26
124.03946685791	13353.3503417969	11.64

199.107467651367	10361.0107421875	9.03
200.139541625977	11040.3430175781	9.63
211.108421325684	14805.8862304688	12.91
223.107292175293	15609.9038085938	13.61

RECORD_TITLE:  MZ:303.1651 | RT:61.4 | grpid:373 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
101.071395874023	18300.72265625	14.83
110.023971557617	88799.8046875	71.98
110.071678161621	4078.85327148438	3.31

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

RECORD_TITLE:  MZ:306.1653 | RT:60.6 | grpid:379 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 379
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
102.055488586426	3576.6201171875	2.29
106.050354003906	46062.7578125	29.46
114.09162902832	24265.951171875	15.52

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

RECORD_TITLE:  MZ:306.1653 | RT:60.6 | grpid:379 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 379
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
106.050323486328	74894.4453125	61.29
112.64949798584	2889.20166015625	2.36
116.070846557617	37102.015625	30.36

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

RECORD_TITLE:  MZ:307.0652 | RT:83.4 | grpid:381 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 381
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
133.049545288086	5159.76806640625	0.38
155.031463623047	6253.12939453125	0.46
156.391296386719	3223.2578125	0.24

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

RECORD_TITLE:  MZ:307.0652 | RT:83.4 | grpid:381 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 381
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
118.766929626465	2792.95947265625	0.22
133.049179077148	4814.24609375	0.39
155.032363891602	3902.88134765625	0.31

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

RECORD_TITLE:  MZ:310.1362 | RT:64.4 | grpid:390 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 390
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
101.071449279785	48478.1953125	7.27
102.055252075195	7670.65087890625	1.15
107.049453735352	45553.19921875	6.83

293.112335205078	16164.1708984375	2.42
304.273651123047	2863.95190429688	0.43
310.14013671875	39121.29296875	5.87
310.173431396484	160963.647949219	24.14

RECORD_TITLE:  MZ:310.1362 | RT:64.4 | grpid:390 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 390
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
112.037353515625	76872.484375	23.39
122.226097106934	2590.57788085938	0.79
136.075698852539	2975.9716796875	0.91

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

RECORD_TITLE:  MZ:311.1234 | RT:60.6 | grpid:391 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 391
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
102.055362701416	51459.5166015625	4.37
103.05436706543	7600.23388671875	0.65
107.049392700195	12013.4572753906	1.02

294.107330322266	3196.60620117188	0.27
297.643768310547	3068.45141601562	0.26
311.131652832031	58676.25390625	4.98
311.13720703125	3376.45483398438	0.29

RECORD_TITLE:  MZ:311.1234 | RT:60.6 | grpid:391 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 391
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
102.048942565918	4303.8115234375	0.57
102.055355072021	46740.2626953125	6.19
107.049228668213	11606.0541992188	1.54

311.13134765625	28442.384765625	3.77
311.138702392578	3576.6796875	0.47
313.788848876953	3409.77734375	0.45
320.026641845703	3267.57104492188	0.43

RECORD_TITLE:  MZ:313.1745 | RT:70.5 | grpid:397 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 397
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
101.695213317871	3385.59912109375	42.51
123.04426574707	3538.955078125	44.44
126.253456115723	3662.13037109375	45.98

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

RECORD_TITLE:  MZ:313.1745 | RT:70.5 | grpid:397 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 397
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
101.525428771973	4244.95068359375	26.63
119.048828125	4152.005859375	26.04
123.043998718262	4032.08984375	25.29

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

RECORD_TITLE:  MZ:317.1788 | RT:69.2 | grpid:407 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 317.178762768594
AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026
XCMS groupid (grpid): 407
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
100.000617980957	2764.93823242188	1.39
101.071342468262	52776.33203125	26.46
110.060340881348	24591.759765625	12.33

255.133773803711	6747.7666015625	3.38
272.159423828125	10641.6845703125	5.33
299.171508789062	68947.8515625	34.56
317.116455078125	4209.64306640625	2.11

RECORD_TITLE:  MZ:320.1805 | RT:62.9 | grpid:415 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 415
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
101.07137298584	142424.026367188	20.63
101.206703186035	3570.3681640625	0.52
102.055252075195	27374.044921875	3.96

304.179077148438	2929.642578125	0.42
307.448608398438	2918.53735351562	0.42
320.157135009766	5962.02001953125	0.86
343.174377441406	4363.37353515625	0.63

RECORD_TITLE:  MZ:320.1805 | RT:62.9 | grpid:415 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 415
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
100.63224029541	2963.869140625	0.38
101.071418762207	155925.477294922	19.93
102.055290222168	22224.041015625	2.84

279.226867675781	3227.61767578125	0.41
291.824340820312	2872.27758789062	0.37
302.171600341797	14686.783203125	1.88
342.055236816406	3642.53344726562	0.47

RECORD_TITLE:  MZ:323.0385 | RT:83.4 | grpid:423 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 423
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
129.365707397461	3141.83325195312	52.63
155.72932434082	2785.9228515625	46.67
190.997634887695	3309.103515625	55.44
323.039398193359	5969.2158203125	100

RECORD_TITLE:  MZ:323.0385 | RT:83.4 | grpid:423 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 423
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
106.13370513916	3051.279296875	23.05
128.50553894043	3386.35693359375	25.58
137.635299682617	2781.98217773438	21.02

305.012542724609	5284.28857421875	39.92
323.039276123047	13236.58203125	100
344.520050048828	3327.75537109375	25.14
348.558624267578	3066.99365234375	23.17

RECORD_TITLE:  MZ:326.1474 | RT:97.7 | grpid:429 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 326.147406045903
AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058
XCMS groupid (grpid): 429
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
110.071594238281	18136.025390625	100
111.771446228027	2785.8037109375	15.36
117.990272521973	2784.25244140625	15.35

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

RECORD_TITLE:  MZ:332.1813 | RT:65.9 | grpid:443 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007
AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
102.05542755127	26123.17578125	43.2
109.076393127441	4476.58837890625	7.4
157.133689880371	51649.9677734375	85.42
201.086990356445	60467.7214355469	100
219.097457885742	39047.7158203125	64.58
233.113204956055	43104.4912109375	71.29

RECORD_TITLE:  MZ:332.1813 | RT:65.9 | grpid:443 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007
AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
102.055435180664	27922.4780273438	36.54
130.049758911133	24178.3735351562	31.64
157.133659362793	76408.0869140625	100
233.113571166992	44630.1259765625	58.41

RECORD_TITLE:  MZ:334.1384 | RT:121.6 | grpid:450 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283
AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
XCMS groupid (grpid): 450
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
102.055374145508	34924.125	11.94
105.638916015625	2670.29809570312	0.91
115.054656982422	6235.50390625	2.13

319.119873046875	3982.1943359375	1.36
326.211242675781	3113.96240234375	1.06
341.972106933594	3192.58032226562	1.09
347.064605712891	3606.46557617188	1.23

RECORD_TITLE:  MZ:334.1384 | RT:121.6 | grpid:450 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283
AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
XCMS groupid (grpid): 450
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
102.039459228516	3126.5771484375	1.66
102.05541229248	22925.572265625	12.18
115.054595947266	4878.6552734375	2.59

290.108581542969	7415.12744140625	3.94
299.102355957031	15771.7763671875	8.38
317.112731933594	53765.765625	28.57
331.68310546875	3073.66259765625	1.63

RECORD_TITLE:  MZ:335.0717 | RT:37.1 | grpid:451 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 335.071702758472
AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878
XCMS groupid (grpid): 451
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
109.028854370117	77211.3671875	100
112.417579650879	2861.51879882812	3.71
116.994819641113	14928.2919921875	19.33

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

RECORD_TITLE:  MZ:347.1919 | RT:78 | grpid:479 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949
AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
101.071441650391	38855.85546875	15.57
102.055362701416	15487.4990234375	6.2
106.050285339355	66337.3125	26.57

234.108215332031	17959.0493164062	7.19
242.15062713623	17147.7495117188	6.87
329.181610107422	16518.06640625	6.62
347.136184692383	4085.76953125	1.64

RECORD_TITLE:  MZ:347.1919 | RT:78 | grpid:479 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949
AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
101.071472167969	45171.87890625	15.13
102.055507659912	11715.1706542969	3.92
106.050277709961	94428.2109375	31.63

228.13459777832	7211.38134765625	2.42
234.108520507812	27310.677734375	9.15
242.149490356445	26381.802734375	8.84
329.181365966797	6031.48583984375	2.02

RECORD_TITLE:  MZ:352.0633 | RT:112 | grpid:488 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
105.000904083252	16339.5595703125	2.95
105.978302001953	16388.6499023438	2.96
117.996154785156	6805.88110351562	1.23

223.020401000977	77419.640625	13.98
231.043319702148	218621.484375	39.48
289.030120849609	19431.6870117188	3.51
335.035934448242	6131.04125976562	1.11

RECORD_TITLE:  MZ:352.0633 | RT:112 | grpid:488 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
102.055809020996	3488.69775390625	0.63
105.00089263916	16334.1181640625	2.96
105.978260040283	15315.5444335938	2.77

223.020645141602	73948.546875	13.38
231.04328918457	206556.171875	37.38
289.031402587891	22851.3984375	4.14
335.03662109375	9595.59008789062	1.74

RECORD_TITLE:  MZ:361.1381 | RT:70.6 | grpid:513 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 361.138129803043
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 513
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
100.039588928223	12111.5087890625	4.67
107.049629211426	4299.3486328125	1.66
110.023170471191	3329.40161132812	1.28

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

RECORD_TITLE:  MZ:362.1915 | RT:64.4 | grpid:515 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 515
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
101.071388244629	21639.20703125	9.06
102.055397033691	133039.03125	55.68
116.071235656738	6828.22705078125	2.86

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

RECORD_TITLE:  MZ:362.1915 | RT:64.4 | grpid:515 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 515
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
101.071533203125	23256.37109375	10.65
102.055381774902	115666.3125	52.95
102.202476501465	3083.99609375	1.41

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

RECORD_TITLE:  MZ:363.1562 | RT:69.7 | grpid:518 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281
AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042
XCMS groupid (grpid): 518
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
100.313407897949	6955.587890625	2.46
103.620452880859	5906.43359375	2.09
119.049507141113	64195.64453125	22.75

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

RECORD_TITLE:  MZ:363.1562 | RT:69.7 | grpid:518 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281
AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042
XCMS groupid (grpid): 518
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
119.049301147461	70843.5703125	21.06
123.044204711914	107581.75	31.98
136.075729370117	336374.71875	100

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

RECORD_TITLE:  MZ:369.1509 | RT:118.6 | grpid:537 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 369.150928816373
AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076
XCMS groupid (grpid): 537
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
113.532424926758	3462.68896484375	100
117.139762878418	3111.56518554688	89.86
141.411041259766	2775.10424804688	80.14
159.579620361328	2853.40112304688	82.4
165.934677124023	2729.99926757812	78.84

RECORD_TITLE:  MZ:375.1875 | RT:51.4 | grpid:551 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947
AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
101.071388244629	10320.2995605469	12.87
102.055366516113	13112.5480957031	16.36
116.034637451172	3510.90710449219	4.38

200.139434814453	7096.67138671875	8.85
201.123291015625	49165.94921875	61.33
215.139579772949	31059.5698242188	38.74
229.11856842041	7129.09887695312	8.89

RECORD_TITLE:  MZ:375.1875 | RT:51.4 | grpid:551 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947
AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
101.071418762207	15644.1923828125	37.42
102.055549621582	26777.037109375	64.04
129.066070556641	6207.2783203125	14.85

201.123519897461	21752.84765625	52.03
215.13939666748	15364.1811523438	36.75
229.117965698242	6342.74047851562	15.17
244.092918395996	9322.70654296875	22.3

RECORD_TITLE:  MZ:394.1621 | RT:112 | grpid:596 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 596
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
102.766708374023	3929.609375	7.41
117.806762695312	3366.19604492188	6.35
118.686012268066	3622.3388671875	6.83

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

RECORD_TITLE:  MZ:394.1621 | RT:112 | grpid:596 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 596
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
125.071266174316	18474.486328125	35.71
136.07585144043	26903.927734375	52
142.836349487305	3245.5166015625	6.27

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

RECORD_TITLE:  MZ:401.0617 | RT:34 | grpid:612 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 612
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
100.988975524902	47076.8515625	1.12
108.061096191406	3763.66381835938	0.09
109.599235534668	2997.06420898438	0.07

291.002990722656	192032.71875	4.57
309.012908935547	35465.66796875	0.84
311.400085449219	10430.2568359375	0.25
376.881713867188	8704.376953125	0.21

RECORD_TITLE:  MZ:401.0617 | RT:34 | grpid:612 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 612
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.988807678223	40817.30859375	0.95
101.309761047363	3056.51245117188	0.07
116.995010375977	152569.53125	3.57

309.01318359375	13654.2666015625	0.32
364.542114257812	7702.04541015625	0.18
373.381866455078	3680.00122070312	0.09
404.745391845703	7731.3017578125	0.18

RECORD_TITLE:  MZ:404.1419 | RT:126.2 | grpid:618 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703
AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204
XCMS groupid (grpid): 618
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
136.051010131836	4214.84375	1.66
136.061798095703	154229.46875	60.57
137.045776367188	254645.9375	100

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

RECORD_TITLE:  MZ:404.1419 | RT:126.2 | grpid:618 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703
AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204
XCMS groupid (grpid): 618
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
136.061737060547	186923.140625	67.72
137.045791625977	276035.78125	100
149.350723266602	2960.25122070312	1.07
155.559341430664	3138.55590820312	1.14
207.745498657227	2866.4462890625	1.04
305.455352783203	3670.34033203125	1.33

RECORD_TITLE:  MZ:407.2046 | RT:72.2 | grpid:625 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 407.204554471595
AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
XCMS groupid (grpid): 625
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
102.055419921875	29241.109375	5.9
104.053215026855	36839.7578125	7.44
109.02864074707	18452.52734375	3.72

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

RECORD_TITLE:  MZ:414.2346 | RT:113.6 | grpid:641 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 414.234577223874
AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
XCMS groupid (grpid): 641
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
101.072120666504	3460.662109375	2.89
130.050003051758	23700.412109375	19.76
143.118316650391	6467.0634765625	5.39

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

RECORD_TITLE:  MZ:417.2097 | RT:77.5 | grpid:651 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 417.20974572592
AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
XCMS groupid (grpid): 651
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
101.071632385254	21183.01171875	8.79
110.024345397949	4356.50732421875	1.81
115.050491333008	95092.8828125	39.44

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

RECORD_TITLE:  MZ:422.2455 | RT:77.3 | grpid:661 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018
AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322
XCMS groupid (grpid): 661
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055618286133	3558.69995117188	20.47
120.081420898438	3910.62768554688	22.49
132.10188293457	4685.72998046875	26.95

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

RECORD_TITLE:  MZ:422.2455 | RT:77.3 | grpid:661 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018
AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322
XCMS groupid (grpid): 661
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
120.080558776855	4530.3798828125	17.86
132.1025390625	3071.50122070312	12.11
152.552886962891	3656.74609375	14.41

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

RECORD_TITLE:  MZ:423.1908 | RT:84.2 | grpid:664 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 423.190755443941
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 664
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
101.071411132812	46732.83203125	5.16
102.055374145508	88983.625	9.83
103.054443359375	24983.80859375	2.76

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

RECORD_TITLE:  MZ:429.1368 | RT:71.2 | grpid:678 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444
AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
XCMS groupid (grpid): 678
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
100.719017028809	3763.74951171875	0.57
109.076595306396	20442.921875	3.11
110.071876525879	18479.02734375	2.81

328.149810791016	4235.30517578125	0.64
429.13703918457	48336.736328125	7.35
429.189208984375	7144.87353515625	1.09
443.335296630859	3914.4736328125	0.6

RECORD_TITLE:  MZ:429.1368 | RT:71.2 | grpid:678 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444
AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
XCMS groupid (grpid): 678
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
100.022125244141	4625.44140625	0.61
107.576271057129	4735.4990234375	0.62
109.076454162598	20519.05859375	2.68

215.072593688965	25522.125	3.34
216.080032348633	244054.8359375	31.93
429.137741088867	48286.349609375	6.32
429.190673828125	6378.42626953125	0.83

RECORD_TITLE:  MZ:436.215 | RT:113.6 | grpid:699 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 436.215002909334
AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
XCMS groupid (grpid): 699
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
114.550689697266	3498.04321289062	3.12
126.055046081543	4136.9013671875	3.69
198.05632019043	3261.10668945312	2.91

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

RECORD_TITLE:  MZ:437.262 | RT:82.7 | grpid:705 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482
AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066
XCMS groupid (grpid): 705
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
132.101959228516	26250.365234375	82.02
147.764419555664	3555.626953125	11.11
173.128616333008	14910.4609375	46.59

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

RECORD_TITLE:  MZ:437.262 | RT:82.7 | grpid:705 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482
AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066
XCMS groupid (grpid): 705
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
101.581962585449	3264.87109375	10.21
116.071166992188	3482.65063476562	10.89
132.102020263672	19473.271484375	60.91

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

RECORD_TITLE:  MZ:452.192 | RT:112.8 | grpid:739 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994
AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446
XCMS groupid (grpid): 739
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
173.128677368164	4687.68310546875	10.24
242.185913085938	4649.87841796875	10.16
431.172515869141	3883.38818359375	8.48
452.188873291016	45768.69140625	100

RECORD_TITLE:  MZ:452.192 | RT:112.8 | grpid:739 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994
AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446
XCMS groupid (grpid): 739
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
102.97029876709	3784.47021484375	9.16
104.049896240234	3122.90185546875	7.56
116.335182189941	3076.12817382812	7.45
116.576026916504	2942.82885742188	7.12
173.128372192383	19179.625	46.43
183.460662841797	3233.1337890625	7.83
452.1904296875	41310.8359375	100

RECORD_TITLE:  MZ:461.2071 | RT:76.5 | grpid:757 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101
AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
XCMS groupid (grpid): 757
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
112.037246704102	77182.6015625	4.57
150.591278076172	5008.4482421875	0.3
153.052520751953	54224.6796875	3.21
194.079025268555	6284.025390625	0.37
224.089447021484	78458.5234375	4.65
242.099761962891	1689058.875	100

RECORD_TITLE:  MZ:461.2071 | RT:76.5 | grpid:757 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101
AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
XCMS groupid (grpid): 757
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
108.938446044922	3487.57153320312	0.29
110.10814666748	3973.40063476562	0.33
112.037155151367	50994.21484375	4.27

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

RECORD_TITLE:  MZ:462.2212 | RT:57.7 | grpid:759 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 462.22122959389
AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356
XCMS groupid (grpid): 759
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
102.055290222168	25408.091796875	7.69
114.073616027832	4833.80419921875	1.46
115.087074279785	4629.81689453125	1.4

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

RECORD_TITLE:  MZ:476.1907 | RT:81.2 | grpid:787 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819
AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
XCMS groupid (grpid): 787
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
102.055404663086	20465.25	11.34
102.06177520752	3275.78784179688	1.82
103.278198242188	3364.96044921875	1.86

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

RECORD_TITLE:  MZ:476.1907 | RT:81.2 | grpid:787 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819
AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
XCMS groupid (grpid): 787
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
102.055328369141	21638.3720703125	9.68
103.568260192871	3338.787109375	1.49
109.02855682373	5442.65234375	2.43

301.13948059082	13626.3889160156	6.09
302.141830444336	26676.0341796875	11.93
360.640808105469	4196.35400390625	1.88
480.125091552734	3905.12133789062	1.75

RECORD_TITLE:  MZ:487.1812 | RT:66.7 | grpid:812 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 812
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
103.690208435059	5716.66162109375	0.05
112.050834655762	10987300	100
174.621200561523	5244.80419921875	0.05
200.266555786133	5990.37744140625	0.05
244.092468261719	104115.34375	0.95
448.8837890625	6051.86181640625	0.06

RECORD_TITLE:  MZ:487.1812 | RT:66.7 | grpid:812 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 812
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
112.050857543945	12582074	100
244.092895507812	124155.421875	0.99
294.906677246094	6473.75732421875	0.05

RECORD_TITLE:  MZ:494.1968 | RT:49.9 | grpid:830 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669
AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528
XCMS groupid (grpid): 830
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
102.055335998535	154721.296875	15
102.392883300781	3496.21337890625	0.34
108.04434967041	4591.63720703125	0.45

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

RECORD_TITLE:  MZ:494.1968 | RT:49.9 | grpid:830 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669
AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528
XCMS groupid (grpid): 830
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
101.02392578125	4665.49853515625	0.46
102.05541229248	139830.640625	13.9
108.044906616211	7338.142578125	0.73

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

RECORD_TITLE:  MZ:498.1693 | RT:81.2 | grpid:840 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313
AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
XCMS groupid (grpid): 840
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
110.071174621582	19027.2734375	1.64
113.020904541016	9368.123046875	0.81
126.054611206055	5812.5556640625	0.5

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

RECORD_TITLE:  MZ:498.1693 | RT:81.2 | grpid:840 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313
AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
XCMS groupid (grpid): 840
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
101.778099060059	3795.03295898438	0.41
106.049766540527	6611.89404296875	0.71
109.610725402832	3484.1552734375	0.37

369.126617431641	931572.6875	100
452.164489746094	61435.125	6.59
480.157287597656	16194.7509765625	1.74
498.169326782227	640386.810058594	68.74

RECORD_TITLE:  MZ:499.2505 | RT:129.3 | grpid:843 | file:1
MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464
AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086
XCMS groupid (grpid): 843
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
118.086380004883	7052.74462890625	0.36
119.035583496094	4770.26611328125	0.24
137.045806884766	1959734	100

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

RECORD_TITLE:  MZ:499.2505 | RT:129.3 | grpid:843 | file:2
MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464
AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086
XCMS groupid (grpid): 843
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.1 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
110.034912109375	5403.05908203125	0.28
118.08659362793	4443.796875	0.23
137.045791625977	1921419.375	100

12:2c8b5a640a04

RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484
AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
112.050888061523	440629.6875	100

RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484
AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' 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:113.0354 | RT:83.4 | grpid:14 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 14
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
113.034782409668	13262784	100

RECORD_TITLE: MZ:113.0354 | RT:83.4 | grpid:14 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 14
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' 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:116.0706 | RT:47.7 | grpid:17 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
116.016784667969	5682.14404296875	3.8
116.070899963379	149471.265625	100
116.10725402832	6152.61499023438	4.12

RECORD_TITLE: MZ:116.0706 | RT:47.7 | grpid:17 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 17
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
116.016510009766	3662.43212890625	2.21
116.070892333984	165623.640625	100
116.107261657715	6898.55065917969	4.17

RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179
AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
132.102035522461	273406.25	100

RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179
AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
XCMS groupid (grpid): 41
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
132.102035522461	402822.6875	100

RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 47
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
104.860054016113	30638.400390625	0.18
110.028198242188	67928.296875	0.4
110.035266876221	733295.444335938	4.35

136.124038696289	2269.25805664062	0.01
137.045845031738	16858602.5	100
138.030548095703	43127.65234375	0.26
154.112442016602	2006.76232910156	0.01

RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 47
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
109.06566619873	2550.77392578125	0.04
110.035278320312	290341.673828125	4.45
112.050743103027	12029.1610107422	0.18

128.04508972168	18434.0234375	0.28
137.04581451416	6519742.5	100
138.029312133789	2125.6455078125	0.03
159.283874511719	2343.61376953125	0.04

RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982
AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
110.060348510742	36283.7578125	6.69
110.072189331055	8668.18530273438	1.6
138.054916381836	542459.3125	100

RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982
AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
XCMS groupid (grpid): 48
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
110.060356140137	32966.80859375	8.97
138.054885864258	367633.15625	100

RECORD_TITLE: MZ:138.0487 | RT:127 | grpid:49 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 49
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
110.035133361816	4197.11962890625	1.03
111.032066345215	2933.20043945312	0.72
111.03865814209	19436.671875	4.75
120.031585693359	3442.69409179688	0.84
120.038940429688	10890.13671875	2.66
131.267166137695	2650.74243164062	0.65
138.049896240234	408864.25	100

RECORD_TITLE: MZ:138.0487 | RT:127 | grpid:49 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006
AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
XCMS groupid (grpid): 49
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
111.032066345215	4279.24560546875	0.77
111.038848876953	24677.09765625	4.42
120.038902282715	18950.03125	3.39
137.396865844727	3584.59228515625	0.64
138.05012512207	558628.8125	100

RECORD_TITLE: MZ:140.0678 | RT:46.2 | grpid:51 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 51
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
108.959754943848	2408.8056640625	0.09
114.089195251465	280537.40625	10.59
140.068115234375	2649786.75	100
143.032638549805	2735.88037109375	0.1

RECORD_TITLE: MZ:140.0678 | RT:46.2 | grpid:51 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 51
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' 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:146.1174 | RT:46.2 | grpid:62 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 62
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
100.021820068359	11993.6435546875	1
101.070411682129	2306.69653320312	0.19
102.055847167969	2466.92114257812	0.21

146.059936523438	9525.1728515625	0.8
146.117546081543	1193844	100
147.075866699219	2905.49487304688	0.24
150.785629272461	2500.5302734375	0.21

RECORD_TITLE: MZ:146.1174 | RT:46.2 | grpid:62 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 62
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
100.021903991699	25367.83984375	0.29
108.055786132812	12792.4772949219	0.15
112.465751647949	20960.951171875	0.24

144.766357421875	23252.271484375	0.27
146.028137207031	3722.75390625	0.04
146.059906005859	12109.3056640625	0.14
146.117530822754	8768827.90625	100

RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 63
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
101.071262359619	3886.935546875	0.12
102.047164916992	3041.80541992188	0.09
102.05525970459	4850.5537109375	0.15

136.545654296875	2581.0390625	0.08
147.043960571289	965761.59375	28.93
147.112770080566	13741.1342773438	0.41
160.075386047363	7738.67065429688	0.23

RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 63
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
101.071437835693	3147.69982910156	0.1
102.055274963379	3918.08203125	0.12
103.054634094238	204152.4375	6.38

147.080383300781	14796.041015625	0.46
147.112525939941	5690.29125976562	0.18
152.669158935547	2885.892578125	0.09
160.076179504395	3540.6630859375	0.11

RECORD_TITLE: MZ:148.0427 | RT:64.4 | grpid:66 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 66
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
102.001251220703	418360.65625	27.27
102.037628173828	26940.125	1.76
102.055305480957	31787.623046875	2.07

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

RECORD_TITLE: MZ:148.0427 | RT:64.4 | grpid:66 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 66
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
102.00122833252	571447.9375	28.8
102.037757873535	37633.34765625	1.9
102.055305480957	19940.044921875	1.01

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

RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704
AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956
XCMS groupid (grpid): 67
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
104.016586303711	38437.609375	1.57
109.031661987305	21351.47265625	0.87
111.011131286621	2452703.75	100

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

RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704
AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956
XCMS groupid (grpid): 67
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
104.0166015625	32986.94921875	1.39
109.032051086426	26353.259765625	1.11
110.097152709961	2624.76928710938	0.11

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

RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 68
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
101.579109191895	20766.212890625	0.29
102.055431365967	2102817.74414062	29.74
103.99649810791	3555.7119140625	0.05

150.09162902832	3476.15454101562	0.05
150.112930297852	3834.1953125	0.05
150.127395629883	4024.62670898438	0.06
155.097625732422	22783.2734375	0.32

RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 68
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
102.055393218994	2337654.50390625	28.72
103.997314453125	2148.16162109375	0.03
104.053230285645	8140050.40625	100

150.058059692383	994071.249511719	12.21
150.090744018555	4340.6669921875	0.05
150.112060546875	5071.3125	0.06
150.128646850586	2830.20849609375	0.03

RECORD_TITLE: MZ:153.0407 | RT:84.2 | grpid:72 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
100.120269775391	2219.037109375	0.05
107.085754394531	12394.3017578125	0.28
108.01936340332	17292.517578125	0.39

153.127243041992	12641.9697265625	0.28
154.024688720703	1908936.8125	42.83
158.011642456055	3504.88745117188	0.08
168.04069519043	26535.353515625	0.6

RECORD_TITLE: MZ:153.0407 | RT:84.2 | grpid:72 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 72
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
107.08570098877	6882.98583984375	0.3
108.01944732666	4910.62548828125	0.22
110.035224914551	821798	36.3

136.01416015625	548141.125	24.21
153.04069519043	2264089.75	100
153.127418518066	11725.7854003906	0.52
154.024642944336	1115687.625	49.28

RECORD_TITLE: MZ:156.0762 | RT:47.7 | grpid:75 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
110.071613311768	231401.40625	50.67
111.068412780762	74264.7734375	16.26
111.074989318848	456690.28125	100
130.062957763672	212641.395141602	46.56
139.111877441406	3248.52099609375	0.71
157.080718994141	81711.703125	17.89
157.097686767578	8786.46240234375	1.92

RECORD_TITLE: MZ:156.0762 | RT:47.7 | grpid:75 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
XCMS groupid (grpid): 75
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
110.071636199951	235131.21875	47.69
111.068435668945	76372.7890625	15.49
111.075004577637	493008.875	100
121.10139465332	2579.52172851562	0.52
139.086585998535	11337.1794433594	2.3
157.080718994141	79274.4609375	16.08

RECORD_TITLE: MZ:158.0912 | RT:43.9 | grpid:77 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 77
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.091850280762	34783.19921875	10.7
107.244758605957	2121.91967773438	0.65
110.07160949707	3791.80151367188	1.17

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

RECORD_TITLE: MZ:158.0912 | RT:43.9 | grpid:77 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 77
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
102.091728210449	38012.30078125	14
110.071365356445	5420.17724609375	2
112.079177856445	4014.5673828125	1.48

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

RECORD_TITLE: MZ:164.93 | RT:40.2 | grpid:88 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987
AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702
XCMS groupid (grpid): 88
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' 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:164.93 | RT:40.2 | grpid:88 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987
AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702
XCMS groupid (grpid): 88
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' 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$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 89
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
103.047622680664	7486.65576171875	0.25
103.054714202881	125062.22265625	4.19
105.044769287109	26794.7265625	0.9

147.043991088867	568027.22265625	19.02
164.070602416992	15849.2646484375	0.53
165.054588317871	150700.666015625	5.05
165.091033935547	3725.4970703125	0.12

RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 89
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
100.539291381836	3935.75927734375	0.04
103.054618835449	417247.46875	4.08
105.044906616211	40683.4765625	0.4

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

RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
107.060668945312	13947.8642578125	0.27
109.076377868652	875055.4375	16.84
124.087074279785	5196432	100

126.102600097656	31464.376953125	0.61
153.064628601074	7258.8037109375	0.14
153.075119018555	9385.91162109375	0.18
170.092407226562	1208969.5	23.27

RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 97
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
107.060707092285	15373.5869140625	0.26
109.07633972168	978256.6875	16.52
124.087051391602	5920406.5	100

126.1025390625	21559.130859375	0.36
152.082084655762	6166.54272460938	0.1
153.065475463867	16002.173828125	0.27
170.092330932617	1292886.25	21.84

RECORD_TITLE: MZ:178.0573 | RT:45.4 | grpid:106 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919
AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
XCMS groupid (grpid): 106
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
105.042701721191	18699.494140625	1.23
132.053298950195	6451.77587890625	0.42
133.037292480469	317993.375	20.91

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

RECORD_TITLE: MZ:178.0573 | RT:45.4 | grpid:106 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919
AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
XCMS groupid (grpid): 106
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
105.042724609375	14917.9775390625	0.99
119.994201660156	3506.71118164062	0.23
133.037322998047	331483.9375	22.1

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

RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
103.054737091064	89136.0625	1.38
107.049491882324	74543.10546875	1.15
109.065074920654	71908.650390625	1.11

137.059684753418	38162.0966796875	0.59
147.043930053711	1345759.5625	20.79
165.054565429688	2610728.125	40.34
182.081016540527	250897.15625	3.88

RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 114
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
103.054626464844	137720.703125	2.02
107.049423217773	96081.14453125	1.41
109.065078735352	102238.60546875	1.5

137.059692382812	70678.93359375	1.04
147.043983459473	1979512.625	29.06
165.054588317871	3915205.25	57.47
182.081062316895	362055.0546875	5.31

RECORD_TITLE: MZ:189.1238 | RT:49.2 | grpid:127 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215
AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402
XCMS groupid (grpid): 127
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
115.086784362793	8240.8359375	2.82
116.070785522461	66374.9765625	22.72
118.086532592773	292157.0625	100

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

RECORD_TITLE: MZ:189.1238 | RT:49.2 | grpid:127 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215
AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402
XCMS groupid (grpid): 127
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
115.08699798584	16498.677734375	14.45
116.070922851562	114139.1640625	100
118.086608886719	16398.6328125	14.37

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

RECORD_TITLE: MZ:191.0419 | RT:41.7 | grpid:131 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 191.041908724489
AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
XCMS groupid (grpid): 131
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055397033691	6061.30029296875	0.19
111.853385925293	4386.8701171875	0.14
115.874839782715	4441.072265625	0.14

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

RECORD_TITLE: MZ:192.07 | RT:121.8 | grpid:134 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 192.070004316993
AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
XCMS groupid (grpid): 134
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
102.055397033691	3442.68041992188	4.92
104.053359985352	70038.1953125	100
133.031921386719	29066.0625	41.5

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

RECORD_TITLE: MZ:194.034 | RT:45.4 | grpid:136 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316
AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
XCMS groupid (grpid): 136
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' 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:194.034 | RT:45.4 | grpid:136 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316
AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
XCMS groupid (grpid): 136
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
125.504974365234	2372.77172851562	68.39
141.887588500977	2384.751953125	68.73
146.027267456055	2972.51196289062	85.68
158.080490112305	2836.72119140625	81.76
194.032562255859	3469.51000976562	100

RECORD_TITLE: MZ:200.039 | RT:43.9 | grpid:143 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 143
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
117.042617797852	6342.0810546875	0.31
117.987678527832	68211.828125	3.37
127.032531738281	20582.015625	1.02

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

RECORD_TITLE: MZ:200.039 | RT:43.9 | grpid:143 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 143
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
112.010238647461	2995.43188476562	0.14
117.042633056641	5056.5439453125	0.24
117.987663269043	71179.4375	3.38

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

RECORD_TITLE: MZ:203.139 | RT:72 | grpid:150 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186
AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
116.071155548096	20653.5434570312	5.02
119.019195556641	2770.42236328125	0.67
125.07137298584	5385.11376953125	1.31

203.138000488281	101691.2578125	24.7
203.139312744141	47779.91796875	11.61
203.152862548828	19752.5390625	4.8
204.817932128906	6029.38134765625	1.46

RECORD_TITLE: MZ:203.139 | RT:72 | grpid:150 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186
AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
XCMS groupid (grpid): 150
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
116.07096862793	14099.0009765625	6.95
132.102005004883	202760.515625	100
157.133499145508	13804.431640625	6.81
161.095993041992	10988.53515625	5.42
203.152351379395	9337.64099121094	4.61

RECORD_TITLE: MZ:204.1213 | RT:56.8 | grpid:152 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641
AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
103.039367675781	4378.82373046875	0.71
116.070835113525	52000.734375	8.43
117.074249267578	73425.046875	11.9

144.101837158203	81904.890625	13.28
145.049530029297	242301.34375	39.28
162.07600402832	4448.66784667969	0.72
204.122970581055	616905.6875	100

RECORD_TITLE: MZ:204.1213 | RT:56.8 | grpid:152 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641
AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
XCMS groupid (grpid): 152
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
101.024070739746	2549.65844726562	0.05
103.039604187012	44728.91015625	0.93
103.384941101074	28550.306640625	0.6

173.963897705078	26845.693359375	0.56
186.075775146484	5275.0185546875	0.11
186.56770324707	2513.05346679688	0.05
204.122985839844	4792410.6953125	100

RECORD_TITLE: MZ:207.016 | RT:41.8 | grpid:158 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 207.015970241864
AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645
XCMS groupid (grpid): 158
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
102.055213928223	14664.9248046875	10.68
104.992233276367	2625.12451171875	1.91
120.00316619873	3167.53002929688	2.31

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

RECORD_TITLE: MZ:214.0624 | RT:55.4 | grpid:172 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 214.06240374159
AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188
XCMS groupid (grpid): 172
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
100.022003173828	18210.814453125	0.48
112.021865844727	105520.359375	2.8
112.029098510742	4534.3564453125	0.12

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

RECORD_TITLE: MZ:218.1384 | RT:89.6 | grpid:180 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909
AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
159.066215515137	3238.22875976562	37.5
218.138641357422	8636.0166015625	100

RECORD_TITLE: MZ:218.1384 | RT:89.6 | grpid:180 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909
AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
XCMS groupid (grpid): 180
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
129.054916381836	3304.31335449219	22.97
218.138702392578	14387.341796875	100

RECORD_TITLE: MZ:219.1345 | RT:84.2 | grpid:182 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 182
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
117.065925598145	4331.37890625	0.21
119.085418701172	4587.7412109375	0.23
121.101333618164	5698.80517578125	0.28

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

RECORD_TITLE: MZ:219.1345 | RT:84.2 | grpid:182 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 182
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
105.063270568848	4203.001953125	0.18
110.096893310547	4522.54443359375	0.19
112.11270904541	5338.60205078125	0.23

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

RECORD_TITLE: MZ:227.1131 | RT:46.9 | grpid:199 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597
AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
XCMS groupid (grpid): 199
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
109.063865661621	3976.69848632812	0.09
110.071586608887	4306134.625	100
111.055419921875	13536.3588867188	0.31

224.923370361328	3780.64306640625	0.09
227.097503662109	23334.078125	0.54
227.113647460938	218042	5.06
227.117202758789	104483.0078125	2.43

RECORD_TITLE: MZ:227.1131 | RT:46.9 | grpid:199 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597
AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
XCMS groupid (grpid): 199
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
109.063323974609	4221.65771484375	0.09
110.071586608887	4907007.625	100
111.055290222168	20111.91796875	0.41

209.104507446289	41406.42578125	0.84
210.087196350098	814492.96875	16.6
227.113571166992	237832.515625	4.85
227.117202758789	149649.421875	3.05

RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191
AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
114.055233001709	73183.349609375	6.61
114.091724395752	26766.3896484375	2.42
116.070861816406	18596.2734375	1.68

142.086227416992	600968.9375	54.28
170.081062316895	40555.919921875	3.66
183.112739562988	113964.578125	10.29
229.15461730957	1107156.0546875	100

RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191
AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
XCMS groupid (grpid): 205
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
114.055229187012	60647.390625	5.08
114.091598510742	41155.61328125	3.45
116.07075881958	25772.126953125	2.16

155.118011474609	11454.3654785156	0.96
170.080909729004	44685.794921875	3.74
183.11270904541	141906.015625	11.88
229.154541015625	1194618.0703125	100

RECORD_TITLE: MZ:230.1402 | RT:116.8 | grpid:206 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093
AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
100.23999786377	2375.47680664062	3.67
134.948608398438	2629.12426757812	4.06
144.102401733398	5664.46728515625	8.75

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

RECORD_TITLE: MZ:230.1402 | RT:116.8 | grpid:206 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093
AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
XCMS groupid (grpid): 206
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
103.442092895508	2566.20703125	3.91
118.637107849121	2638.11669921875	4.02
133.330627441406	2652.22534179688	4.05

204.917419433594	2715.51708984375	4.14
230.046417236328	4664.95068359375	7.12
230.138244628906	65551.83984375	100
230.155090332031	8631.9453125	13.17

RECORD_TITLE: MZ:231.1694 | RT:130.8 | grpid:209 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829
AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
XCMS groupid (grpid): 209
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
111.466903686523	3197.19702148438	13.95
116.07112121582	3271.9736328125	14.27
118.086364746094	22924.626953125	100
132.357925415039	2541.77392578125	11.09
179.655456542969	2593.84716796875	11.31
185.16487121582	4451.75	19.42
231.170959472656	13349.1865234375	58.23

RECORD_TITLE: MZ:231.1694 | RT:130.8 | grpid:209 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829
AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
XCMS groupid (grpid): 209
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
116.427024841309	2544.30590820312	8.85
118.086326599121	28757.314453125	100
134.190277099609	2779.22607421875	9.66
185.16487121582	11899.6162109375	41.38
231.170867919922	12690.720703125	44.13
242.216293334961	3109.39599609375	10.81

RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
101.071445465088	51549.6220703125	22.16
102.055347442627	66484.62109375	28.58
120.065692901611	232610.4609375	100

152.106994628906	4649.77038574219	2
187.144264221191	187231.80078125	80.49
215.139007568359	48739.20703125	20.95
233.149719238281	36277.1650390625	15.6

RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 214
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
102.055397033691	51696.87890625	22.8
120.065738677979	226702.9609375	100
130.049781799316	45556.30859375	20.1

142.122772216797	8058.5205078125	3.55
187.14395904541	12489.4829101562	5.51
215.139099121094	40721.81640625	17.96
233.149711608887	37191.212890625	16.41

RECORD_TITLE: MZ:244.9534 | RT:41 | grpid:234 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716
AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952
XCMS groupid (grpid): 234
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
104.992713928223	340494.65625	100
134.018981933594	6148.11669921875	1.81
162.950485229492	3323.24096679688	0.98

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

RECORD_TITLE: MZ:244.9534 | RT:41 | grpid:234 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716
AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952
XCMS groupid (grpid): 234
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
104.992698669434	416298.96875	100
104.999923706055	7185.41552734375	1.73
134.019241333008	22449.341796875	5.39

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

RECORD_TITLE: MZ:245.0766 | RT:83.4 | grpid:235 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 235
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
102.847290039062	7233.47998046875	0.33
103.039291381836	12718.3603515625	0.58
113.034873962402	2177657.75	100

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

RECORD_TITLE: MZ:245.0766 | RT:83.4 | grpid:235 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 235
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
103.039436340332	8101.8408203125	0.42
113.034912109375	1941275.5	100
115.039443969727	48567.2734375	2.5

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

RECORD_TITLE: MZ:246.1449 | RT:56 | grpid:238 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526
AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412
XCMS groupid (grpid): 238
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
100.075866699219	14307.3046875	1.48
101.071304321289	77612.53125	8.03
101.107765197754	13628.1044921875	1.41

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

RECORD_TITLE: MZ:246.1449 | RT:56 | grpid:238 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526
AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412
XCMS groupid (grpid): 238
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
100.076126098633	13507.232421875	1.34
101.071449279785	79448.5546875	7.91
101.10791015625	12414.9365234375	1.24

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

RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
138.091659545898	13378.8500976562	21.8
183.112693786621	61367.470703125	100
229.118995666504	14858.046875	24.21
247.129051208496	17786.4794921875	28.98

RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 241
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
155.117858886719	15192.2561035156	20.49
183.112770080566	74141.34765625	100
229.11840057373	15723.8720703125	21.21
247.128791809082	21589.623046875	29.12

RECORD_TITLE: MZ:249.0948 | RT:43.9 | grpid:246 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 246
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
100.417434692383	3012.53979492188	0.25
110.071434020996	52747.71484375	4.38
112.03719329834	1204596.875	100

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

RECORD_TITLE: MZ:249.0948 | RT:43.9 | grpid:246 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248
AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
XCMS groupid (grpid): 246
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
102.05534362793	5758.3828125	0.61
110.071769714355	39500.23828125	4.2
112.037246704102	940339.1875	100

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

RECORD_TITLE: MZ:253.152 | RT:130.8 | grpid:254 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701
AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
XCMS groupid (grpid): 254
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
107.091743469238	2954.37670898438	3.89
110.071716308594	33523.06640625	44.11
120.081520080566	3132.15551757812	4.12

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

RECORD_TITLE: MZ:253.152 | RT:130.8 | grpid:254 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701
AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
XCMS groupid (grpid): 254
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
107.339874267578	2320.88403320312	2.8
110.071655273438	38185.00390625	46.14
115.528038024902	2485.31811523438	3

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

RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
101.07137298584	159622.4765625	36.51
101.107887268066	10705.1762695312	2.45
102.055473327637	29658.279296875	6.78

242.149703979492	437216.94140625	100
243.133697509766	61300.603515625	14.02
260.160217285156	128216.2578125	29.33
260.196762084961	14821.4155273438	3.39

RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 268
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
101.071388244629	70008.265625	9.52
101.107944488525	11458.4409179688	1.56
102.05549621582	22510.1015625	3.06

197.128410339355	65488.1416015625	8.9
243.133796691895	57645.177734375	7.84
260.160171508789	46796.5615234375	6.36
260.196014404297	27617.501953125	3.76

RECORD_TITLE: MZ:263.1945 | RT:74.3 | grpid:278 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713
AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424
XCMS groupid (grpid): 278
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
104.229377746582	2670.97973632812	20.32
125.071014404297	2436.50610351562	18.53
126.956985473633	2508.49682617188	19.08

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

RECORD_TITLE: MZ:263.1945 | RT:74.3 | grpid:278 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713
AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424
XCMS groupid (grpid): 278
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
102.054862976074	2515.89672851562	15.73
107.425888061523	3018.11962890625	18.88
115.45637512207	3103.68212890625	19.41

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

RECORD_TITLE: MZ:265.0719 | RT:46.2 | grpid:282 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 282
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
100.917625427246	6046.6025390625	8.42
114.893188476562	23901.982421875	33.29
120.00350189209	50695.48046875	70.6

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

RECORD_TITLE: MZ:265.0719 | RT:46.2 | grpid:282 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613
AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
XCMS groupid (grpid): 282
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
100.917533874512	5757.15771484375	7.77
114.893119812012	28334.666015625	38.23
116.069046020508	2184.07983398438	2.95

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

RECORD_TITLE: MZ:268.9977 | RT:42.4 | grpid:298 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 298
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
104.992698669434	3048620	100
112.89591217041	40926.08984375	1.34
123.003486633301	4431.7578125	0.15

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

RECORD_TITLE: MZ:268.9977 | RT:42.4 | grpid:298 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 298
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
104.992706298828	1722148.25	100
112.896064758301	66524.015625	3.86
113.738670349121	3244.43115234375	0.19

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

RECORD_TITLE: MZ:272.1708 | RT:59.1 | grpid:303 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479
AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
XCMS groupid (grpid): 303
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
100.076187133789	11787.0771484375	1.58
110.071624755859	6275.3115234375	0.84
112.087253570557	252621.90625	33.96

238.11897277832	25840.982421875	3.47
254.161102294922	77688.982421875	10.44
255.14493560791	202720.796875	27.25
272.171401977539	743813.09375	100

RECORD_TITLE: MZ:272.1708 | RT:59.1 | grpid:303 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479
AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
XCMS groupid (grpid): 303
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
100.076290130615	15373.1440429688	2.3
110.023941040039	4066.50732421875	0.61
110.071594238281	5312.72412109375	0.8

255.11735534668	6694.04296875	1
255.122634887695	4730.10205078125	0.71
255.14493560791	192567.875	28.86
272.171432495117	667302.1875	100

RECORD_TITLE: MZ:274.1757 | RT:93.5 | grpid:306 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697
AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
XCMS groupid (grpid): 306
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
101.068878173828	3083.6005859375	2.14
111.12141418457	2919.10546875	2.03
115.086715698242	3843.61743164062	2.67

199.144088745117	10817.66796875	7.51
203.91975402832	2890.12939453125	2.01
213.804061889648	2904.75952148438	2.02
293.943817138672	3003.84594726562	2.09

RECORD_TITLE: MZ:274.1757 | RT:93.5 | grpid:306 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697
AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
XCMS groupid (grpid): 306
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
107.794586181641	2516.4248046875	1.77
115.086883544922	4926.205078125	3.47
134.339370727539	3014.974609375	2.12

185.144317626953	3739.43701171875	2.63
199.144180297852	6829.45703125	4.81
240.998413085938	3096.86401367188	2.18
244.528472900391	3161.3740234375	2.23

RECORD_TITLE: MZ:277.1029 | RT:34 | grpid:311 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 311
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055252075195	19285.34375	57.12
103.058700561523	11779.50390625	34.89
121.485000610352	2537.43798828125	7.52

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

RECORD_TITLE: MZ:277.1029 | RT:34 | grpid:311 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 311
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
101.117088317871	2863.08325195312	2.86
102.055404663086	61140.71484375	61.11
103.05867767334	48864.07421875	48.84

260.096435546875	13470.7333984375	13.46
261.079376220703	10932.662109375	10.93
278.105987548828	5054.4541015625	5.05
296.483093261719	2672.47143554688	2.67

RECORD_TITLE: MZ:279.1033 | RT:63.7 | grpid:313 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 279.103270568746
AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916
XCMS groupid (grpid): 313
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
102.055374145508	99060.15625	12.22
104.053268432617	810346.25	100
105.037216186523	4860.92724609375	0.6

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

RECORD_TITLE: MZ:280.0487 | RT:70.5 | grpid:315 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 315
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
116.985786437988	33421.9296875	31
120.081001281738	11129.6591796875	10.32
123.669364929199	2818.08227539062	2.61

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

RECORD_TITLE: MZ:280.0487 | RT:70.5 | grpid:315 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 315
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
116.986145019531	90175.0546875	39.39
122.500762939453	2979.67431640625	1.3
126.041282653809	2491.48876953125	1.09

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

RECORD_TITLE: MZ:281.1525 | RT:75 | grpid:320 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442
AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038
XCMS groupid (grpid): 320
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
101.264610290527	2750.7802734375	0.33
103.05460357666	25212.22265625	3.05
120.081024169922	825684.1875	100

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

RECORD_TITLE: MZ:281.1525 | RT:75 | grpid:320 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442
AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038
XCMS groupid (grpid): 320
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
103.054763793945	34028.828125	3.95
119.951507568359	2629.16333007812	0.31
120.081024169922	861520.9375	100

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

RECORD_TITLE: MZ:285.0838 | RT:83.4 | grpid:329 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 329
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
103.039367675781	34832.5	1.31
110.035171508789	114180.3125	4.3
110.071548461914	6402.4853515625	0.24

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

RECORD_TITLE: MZ:285.0838 | RT:83.4 | grpid:329 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 329
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
102.877166748047	11391.2080078125	0.37
103.039497375488	49776.1201171875	1.62
108.379875183105	10036.453125	0.33

169.74462890625	11478.4873046875	0.37
276.099914550781	12241.7314453125	0.4
283.922821044922	10031.16015625	0.33
301.9716796875	10684.52734375	0.35

RECORD_TITLE: MZ:287.052 | RT:43.2 | grpid:332 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 287.052049791825
AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192
XCMS groupid (grpid): 332
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
111.116577148438	2635.97485351562	3.74
113.805793762207	2529.7333984375	3.59
127.086990356445	3527.62426757812	5

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

RECORD_TITLE: MZ:292.1947 | RT:44.8 | grpid:346 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 292.194651731624
AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376
XCMS groupid (grpid): 346
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
112.08748626709	146886.8125	0.82
112.094039916992	21488.705078125	0.12
113.071746826172	19570.8203125	0.11

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

RECORD_TITLE: MZ:294.1544 | RT:92.7 | grpid:350 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209
AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
100.039722442627	12031.2099609375	2.54
100.112457275391	5225.68493652344	1.1
112.039657592773	32027.3125	6.77

248.148956298828	50961.2109375	10.77
258.133422851562	269774.625	57.01
276.144012451172	289220.21875	61.12
294.143478393555	9554.22521972656	2.02

RECORD_TITLE: MZ:294.1544 | RT:92.7 | grpid:350 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209
AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
XCMS groupid (grpid): 350
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
100.039489746094	6522.14233398438	1.53
100.112659454346	4946.25122070312	1.16
112.039413452148	31784.515625	7.46

230.138656616211	425898.21875	100
248.149322509766	51917.765625	12.19
258.133483886719	255259.734375	59.93
276.143981933594	275148.625	64.6

RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131
AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
XCMS groupid (grpid): 353
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
102.055305480957	141662.953125	1.78
103.047660827637	9096.5048828125	0.11
103.054672241211	264597.71875	3.33

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

RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131
AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
XCMS groupid (grpid): 353
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
102.055358886719	142350.5625	1.73
103.047714233398	7654.904296875	0.09
103.054664611816	271591.96875	3.3

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

RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 354
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
104.107498168945	63030.7290039062	53.86
110.071670532227	76296.015625	65.19
115.257781982422	2642.28344726562	2.26

281.073272705078	3693.57568359375	3.16
298.067657470703	6471.38916015625	5.53
298.096527099609	23370.763671875	19.97
298.135314941406	24276.166015625	20.74

RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644
AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
XCMS groupid (grpid): 354
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
102.501098632812	2634.53149414062	0.88
103.752471923828	3372.3203125	1.13
104.107360839844	41061.3452148438	13.78

297.119445800781	5748.119140625	1.93
298.067443847656	8395.75	2.82
298.100677490234	33910.890625	11.38
298.133453369141	5547.06982421875	1.86

RECORD_TITLE: MZ:302.1706 | RT:88.9 | grpid:369 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843
AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
XCMS groupid (grpid): 369
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
111.092044830322	3689.33081054688	1.1
114.091567993164	2964.439453125	0.88
116.070892333984	336741.171875	100

203.102439880371	95567.90234375	28.38
213.087356567383	9628.05590820312	2.86
269.900512695312	3120.37036132812	0.93
284.158935546875	3037.86303710938	0.9

RECORD_TITLE: MZ:302.1706 | RT:88.9 | grpid:369 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843
AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
XCMS groupid (grpid): 369
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
106.602005004883	2616.6298828125	0.82
107.888076782227	2649.7861328125	0.83
111.537490844727	2589.2255859375	0.81

207.951904296875	2900.83618164062	0.9
213.085845947266	4722.02392578125	1.47
213.087280273438	3746.56909179688	1.17
218.32536315918	3366.72143554688	1.05

RECORD_TITLE: MZ:303.1651 | RT:61.4 | grpid:373 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
101.071479797363	17822.0859375	15.54
110.024024963379	15201.4501953125	13.26
124.03946685791	13353.3503417969	11.64

199.107467651367	10361.0107421875	9.03
200.139541625977	11040.3430175781	9.63
211.108421325684	14805.8862304688	12.91
223.107292175293	15609.9038085938	13.61

RECORD_TITLE: MZ:303.1651 | RT:61.4 | grpid:373 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144
AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
XCMS groupid (grpid): 373
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
101.071395874023	18300.72265625	14.83
110.023971557617	88799.8046875	71.98
110.071678161621	4078.85327148438	3.31

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

RECORD_TITLE: MZ:306.1653 | RT:60.6 | grpid:379 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 379
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
102.055488586426	3576.6201171875	2.29
106.050354003906	46062.7578125	29.46
114.09162902832	24265.951171875	15.52

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

RECORD_TITLE: MZ:306.1653 | RT:60.6 | grpid:379 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 379
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
106.050323486328	74894.4453125	61.29
112.64949798584	2889.20166015625	2.36
116.070846557617	37102.015625	30.36

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

RECORD_TITLE: MZ:307.0652 | RT:83.4 | grpid:381 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 381
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
133.049545288086	5159.76806640625	0.38
155.031463623047	6253.12939453125	0.46
156.391296386719	3223.2578125	0.24

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

RECORD_TITLE: MZ:307.0652 | RT:83.4 | grpid:381 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 381
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
118.766929626465	2792.95947265625	0.22
133.049179077148	4814.24609375	0.39
155.032363891602	3902.88134765625	0.31

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

RECORD_TITLE: MZ:310.1362 | RT:64.4 | grpid:390 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 390
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
101.071449279785	48478.1953125	7.27
102.055252075195	7670.65087890625	1.15
107.049453735352	45553.19921875	6.83

293.112335205078	16164.1708984375	2.42
304.273651123047	2863.95190429688	0.43
310.14013671875	39121.29296875	5.87
310.173431396484	160963.647949219	24.14

RECORD_TITLE: MZ:310.1362 | RT:64.4 | grpid:390 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 390
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
112.037353515625	76872.484375	23.39
122.226097106934	2590.57788085938	0.79
136.075698852539	2975.9716796875	0.91

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

RECORD_TITLE: MZ:311.1234 | RT:60.6 | grpid:391 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 391
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
102.055362701416	51459.5166015625	4.37
103.05436706543	7600.23388671875	0.65
107.049392700195	12013.4572753906	1.02

294.107330322266	3196.60620117188	0.27
297.643768310547	3068.45141601562	0.26
311.131652832031	58676.25390625	4.98
311.13720703125	3376.45483398438	0.29

RECORD_TITLE: MZ:311.1234 | RT:60.6 | grpid:391 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208
AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
XCMS groupid (grpid): 391
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
102.048942565918	4303.8115234375	0.57
102.055355072021	46740.2626953125	6.19
107.049228668213	11606.0541992188	1.54

311.13134765625	28442.384765625	3.77
311.138702392578	3576.6796875	0.47
313.788848876953	3409.77734375	0.45
320.026641845703	3267.57104492188	0.43

RECORD_TITLE: MZ:313.1745 | RT:70.5 | grpid:397 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 397
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
101.695213317871	3385.59912109375	42.51
123.04426574707	3538.955078125	44.44
126.253456115723	3662.13037109375	45.98

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

RECORD_TITLE: MZ:313.1745 | RT:70.5 | grpid:397 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203
AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
XCMS groupid (grpid): 397
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
101.525428771973	4244.95068359375	26.63
119.048828125	4152.005859375	26.04
123.043998718262	4032.08984375	25.29

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

RECORD_TITLE: MZ:317.1788 | RT:69.2 | grpid:407 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 317.178762768594
AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026
XCMS groupid (grpid): 407
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
100.000617980957	2764.93823242188	1.39
101.071342468262	52776.33203125	26.46
110.060340881348	24591.759765625	12.33

255.133773803711	6747.7666015625	3.38
272.159423828125	10641.6845703125	5.33
299.171508789062	68947.8515625	34.56
317.116455078125	4209.64306640625	2.11

RECORD_TITLE: MZ:320.1805 | RT:62.9 | grpid:415 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 415
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
101.07137298584	142424.026367188	20.63
101.206703186035	3570.3681640625	0.52
102.055252075195	27374.044921875	3.96

304.179077148438	2929.642578125	0.42
307.448608398438	2918.53735351562	0.42
320.157135009766	5962.02001953125	0.86
343.174377441406	4363.37353515625	0.63

RECORD_TITLE: MZ:320.1805 | RT:62.9 | grpid:415 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627
AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
XCMS groupid (grpid): 415
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
100.63224029541	2963.869140625	0.38
101.071418762207	155925.477294922	19.93
102.055290222168	22224.041015625	2.84

279.226867675781	3227.61767578125	0.41
291.824340820312	2872.27758789062	0.37
302.171600341797	14686.783203125	1.88
342.055236816406	3642.53344726562	0.47

RECORD_TITLE: MZ:323.0385 | RT:83.4 | grpid:423 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 423
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
129.365707397461	3141.83325195312	52.63
155.72932434082	2785.9228515625	46.67
190.997634887695	3309.103515625	55.44
323.039398193359	5969.2158203125	100

RECORD_TITLE: MZ:323.0385 | RT:83.4 | grpid:423 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119
AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
XCMS groupid (grpid): 423
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
106.13370513916	3051.279296875	23.05
128.50553894043	3386.35693359375	25.58
137.635299682617	2781.98217773438	21.02

305.012542724609	5284.28857421875	39.92
323.039276123047	13236.58203125	100
344.520050048828	3327.75537109375	25.14
348.558624267578	3066.99365234375	23.17

RECORD_TITLE: MZ:326.1474 | RT:97.7 | grpid:429 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 326.147406045903
AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058
XCMS groupid (grpid): 429
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
110.071594238281	18136.025390625	100
111.771446228027	2785.8037109375	15.36
117.990272521973	2784.25244140625	15.35

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

RECORD_TITLE: MZ:332.1813 | RT:65.9 | grpid:443 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007
AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
102.05542755127	26123.17578125	43.2
109.076393127441	4476.58837890625	7.4
157.133689880371	51649.9677734375	85.42
201.086990356445	60467.7214355469	100
219.097457885742	39047.7158203125	64.58
233.113204956055	43104.4912109375	71.29

RECORD_TITLE: MZ:332.1813 | RT:65.9 | grpid:443 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007
AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
XCMS groupid (grpid): 443
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
102.055435180664	27922.4780273438	36.54
130.049758911133	24178.3735351562	31.64
157.133659362793	76408.0869140625	100
233.113571166992	44630.1259765625	58.41

RECORD_TITLE: MZ:334.1384 | RT:121.6 | grpid:450 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283
AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
XCMS groupid (grpid): 450
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
102.055374145508	34924.125	11.94
105.638916015625	2670.29809570312	0.91
115.054656982422	6235.50390625	2.13

319.119873046875	3982.1943359375	1.36
326.211242675781	3113.96240234375	1.06
341.972106933594	3192.58032226562	1.09
347.064605712891	3606.46557617188	1.23

RECORD_TITLE: MZ:334.1384 | RT:121.6 | grpid:450 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283
AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
XCMS groupid (grpid): 450
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
102.039459228516	3126.5771484375	1.66
102.05541229248	22925.572265625	12.18
115.054595947266	4878.6552734375	2.59

290.108581542969	7415.12744140625	3.94
299.102355957031	15771.7763671875	8.38
317.112731933594	53765.765625	28.57
331.68310546875	3073.66259765625	1.63

RECORD_TITLE: MZ:335.0717 | RT:37.1 | grpid:451 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 335.071702758472
AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878
XCMS groupid (grpid): 451
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
109.028854370117	77211.3671875	100
112.417579650879	2861.51879882812	3.71
116.994819641113	14928.2919921875	19.33

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

RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949
AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
101.071441650391	38855.85546875	15.57
102.055362701416	15487.4990234375	6.2
106.050285339355	66337.3125	26.57

234.108215332031	17959.0493164062	7.19
242.15062713623	17147.7495117188	6.87
329.181610107422	16518.06640625	6.62
347.136184692383	4085.76953125	1.64

RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949
AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
XCMS groupid (grpid): 479
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
101.071472167969	45171.87890625	15.13
102.055507659912	11715.1706542969	3.92
106.050277709961	94428.2109375	31.63

228.13459777832	7211.38134765625	2.42
234.108520507812	27310.677734375	9.15
242.149490356445	26381.802734375	8.84
329.181365966797	6031.48583984375	2.02

RECORD_TITLE: MZ:352.0633 | RT:112 | grpid:488 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
105.000904083252	16339.5595703125	2.95
105.978302001953	16388.6499023438	2.96
117.996154785156	6805.88110351562	1.23

223.020401000977	77419.640625	13.98
231.043319702148	218621.484375	39.48
289.030120849609	19431.6870117188	3.51
335.035934448242	6131.04125976562	1.11

RECORD_TITLE: MZ:352.0633 | RT:112 | grpid:488 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 488
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
102.055809020996	3488.69775390625	0.63
105.00089263916	16334.1181640625	2.96
105.978260040283	15315.5444335938	2.77

223.020645141602	73948.546875	13.38
231.04328918457	206556.171875	37.38
289.031402587891	22851.3984375	4.14
335.03662109375	9595.59008789062	1.74

RECORD_TITLE: MZ:361.1381 | RT:70.6 | grpid:513 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 361.138129803043
AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
XCMS groupid (grpid): 513
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
100.039588928223	12111.5087890625	4.67
107.049629211426	4299.3486328125	1.66
110.023170471191	3329.40161132812	1.28

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

RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 515
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
101.071388244629	21639.20703125	9.06
102.055397033691	133039.03125	55.68
116.071235656738	6828.22705078125	2.86

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

RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631
AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
XCMS groupid (grpid): 515
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
101.071533203125	23256.37109375	10.65
102.055381774902	115666.3125	52.95
102.202476501465	3083.99609375	1.41

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

RECORD_TITLE: MZ:363.1562 | RT:69.7 | grpid:518 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281
AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042
XCMS groupid (grpid): 518
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
100.313407897949	6955.587890625	2.46
103.620452880859	5906.43359375	2.09
119.049507141113	64195.64453125	22.75

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

RECORD_TITLE: MZ:363.1562 | RT:69.7 | grpid:518 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281
AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042
XCMS groupid (grpid): 518
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
119.049301147461	70843.5703125	21.06
123.044204711914	107581.75	31.98
136.075729370117	336374.71875	100

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

RECORD_TITLE: MZ:369.1509 | RT:118.6 | grpid:537 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 369.150928816373
AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076
XCMS groupid (grpid): 537
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
113.532424926758	3462.68896484375	100
117.139762878418	3111.56518554688	89.86
141.411041259766	2775.10424804688	80.14
159.579620361328	2853.40112304688	82.4
165.934677124023	2729.99926757812	78.84

RECORD_TITLE: MZ:375.1875 | RT:51.4 | grpid:551 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947
AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
101.071388244629	10320.2995605469	12.87
102.055366516113	13112.5480957031	16.36
116.034637451172	3510.90710449219	4.38

200.139434814453	7096.67138671875	8.85
201.123291015625	49165.94921875	61.33
215.139579772949	31059.5698242188	38.74
229.11856842041	7129.09887695312	8.89

RECORD_TITLE: MZ:375.1875 | RT:51.4 | grpid:551 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947
AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
XCMS groupid (grpid): 551
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
101.071418762207	15644.1923828125	37.42
102.055549621582	26777.037109375	64.04
129.066070556641	6207.2783203125	14.85

201.123519897461	21752.84765625	52.03
215.13939666748	15364.1811523438	36.75
229.117965698242	6342.74047851562	15.17
244.092918395996	9322.70654296875	22.3

RECORD_TITLE: MZ:394.1621 | RT:112 | grpid:596 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 596
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
102.766708374023	3929.609375	7.41
117.806762695312	3366.19604492188	6.35
118.686012268066	3622.3388671875	6.83

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

RECORD_TITLE: MZ:394.1621 | RT:112 | grpid:596 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203
AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
XCMS groupid (grpid): 596
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
125.071266174316	18474.486328125	35.71
136.07585144043	26903.927734375	52
142.836349487305	3245.5166015625	6.27

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

RECORD_TITLE: MZ:401.0617 | RT:34 | grpid:612 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 612
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
100.988975524902	47076.8515625	1.12
108.061096191406	3763.66381835938	0.09
109.599235534668	2997.06420898438	0.07

291.002990722656	192032.71875	4.57
309.012908935547	35465.66796875	0.84
311.400085449219	10430.2568359375	0.25
376.881713867188	8704.376953125	0.21

RECORD_TITLE: MZ:401.0617 | RT:34 | grpid:612 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436
AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
XCMS groupid (grpid): 612
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
100.988807678223	40817.30859375	0.95
101.309761047363	3056.51245117188	0.07
116.995010375977	152569.53125	3.57

309.01318359375	13654.2666015625	0.32
364.542114257812	7702.04541015625	0.18
373.381866455078	3680.00122070312	0.09
404.745391845703	7731.3017578125	0.18

RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703
AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204
XCMS groupid (grpid): 618
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
136.051010131836	4214.84375	1.66
136.061798095703	154229.46875	60.57
137.045776367188	254645.9375	100

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

RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703
AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204
XCMS groupid (grpid): 618
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
136.061737060547	186923.140625	67.72
137.045791625977	276035.78125	100
149.350723266602	2960.25122070312	1.07
155.559341430664	3138.55590820312	1.14
207.745498657227	2866.4462890625	1.04
305.455352783203	3670.34033203125	1.33

RECORD_TITLE: MZ:407.2046 | RT:72.2 | grpid:625 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 407.204554471595
AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
XCMS groupid (grpid): 625
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
102.055419921875	29241.109375	5.9
104.053215026855	36839.7578125	7.44
109.02864074707	18452.52734375	3.72

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

RECORD_TITLE: MZ:414.2346 | RT:113.6 | grpid:641 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 414.234577223874
AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
XCMS groupid (grpid): 641
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
101.072120666504	3460.662109375	2.89
130.050003051758	23700.412109375	19.76
143.118316650391	6467.0634765625	5.39

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

RECORD_TITLE: MZ:417.2097 | RT:77.5 | grpid:651 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 417.20974572592
AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
XCMS groupid (grpid): 651
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
101.071632385254	21183.01171875	8.79
110.024345397949	4356.50732421875	1.81
115.050491333008	95092.8828125	39.44

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

RECORD_TITLE: MZ:422.2455 | RT:77.3 | grpid:661 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018
AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322
XCMS groupid (grpid): 661
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
102.055618286133	3558.69995117188	20.47
120.081420898438	3910.62768554688	22.49
132.10188293457	4685.72998046875	26.95

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

RECORD_TITLE: MZ:422.2455 | RT:77.3 | grpid:661 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018
AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322
XCMS groupid (grpid): 661
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
120.080558776855	4530.3798828125	17.86
132.1025390625	3071.50122070312	12.11
152.552886962891	3656.74609375	14.41

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

RECORD_TITLE: MZ:423.1908 | RT:84.2 | grpid:664 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 423.190755443941
AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
XCMS groupid (grpid): 664
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
101.071411132812	46732.83203125	5.16
102.055374145508	88983.625	9.83
103.054443359375	24983.80859375	2.76

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

RECORD_TITLE: MZ:429.1368 | RT:71.2 | grpid:678 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444
AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
XCMS groupid (grpid): 678
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
100.719017028809	3763.74951171875	0.57
109.076595306396	20442.921875	3.11
110.071876525879	18479.02734375	2.81

328.149810791016	4235.30517578125	0.64
429.13703918457	48336.736328125	7.35
429.189208984375	7144.87353515625	1.09
443.335296630859	3914.4736328125	0.6

RECORD_TITLE: MZ:429.1368 | RT:71.2 | grpid:678 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444
AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
XCMS groupid (grpid): 678
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
100.022125244141	4625.44140625	0.61
107.576271057129	4735.4990234375	0.62
109.076454162598	20519.05859375	2.68

215.072593688965	25522.125	3.34
216.080032348633	244054.8359375	31.93
429.137741088867	48286.349609375	6.32
429.190673828125	6378.42626953125	0.83

RECORD_TITLE: MZ:436.215 | RT:113.6 | grpid:699 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 436.215002909334
AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
XCMS groupid (grpid): 699
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
114.550689697266	3498.04321289062	3.12
126.055046081543	4136.9013671875	3.69
198.05632019043	3261.10668945312	2.91

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

RECORD_TITLE: MZ:437.262 | RT:82.7 | grpid:705 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482
AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066
XCMS groupid (grpid): 705
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
132.101959228516	26250.365234375	82.02
147.764419555664	3555.626953125	11.11
173.128616333008	14910.4609375	46.59

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

RECORD_TITLE: MZ:437.262 | RT:82.7 | grpid:705 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482
AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066
XCMS groupid (grpid): 705
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
101.581962585449	3264.87109375	10.21
116.071166992188	3482.65063476562	10.89
132.102020263672	19473.271484375	60.91

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

RECORD_TITLE: MZ:452.192 | RT:112.8 | grpid:739 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994
AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446
XCMS groupid (grpid): 739
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
173.128677368164	4687.68310546875	10.24
242.185913085938	4649.87841796875	10.16
431.172515869141	3883.38818359375	8.48
452.188873291016	45768.69140625	100

RECORD_TITLE: MZ:452.192 | RT:112.8 | grpid:739 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994
AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446
XCMS groupid (grpid): 739
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
102.97029876709	3784.47021484375	9.16
104.049896240234	3122.90185546875	7.56
116.335182189941	3076.12817382812	7.45
116.576026916504	2942.82885742188	7.12
173.128372192383	19179.625	46.43
183.460662841797	3233.1337890625	7.83
452.1904296875	41310.8359375	100

RECORD_TITLE: MZ:461.2071 | RT:76.5 | grpid:757 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101
AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
XCMS groupid (grpid): 757
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
112.037246704102	77182.6015625	4.57
150.591278076172	5008.4482421875	0.3
153.052520751953	54224.6796875	3.21
194.079025268555	6284.025390625	0.37
224.089447021484	78458.5234375	4.65
242.099761962891	1689058.875	100

RECORD_TITLE: MZ:461.2071 | RT:76.5 | grpid:757 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101
AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
XCMS groupid (grpid): 757
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
108.938446044922	3487.57153320312	0.29
110.10814666748	3973.40063476562	0.33
112.037155151367	50994.21484375	4.27

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

RECORD_TITLE: MZ:462.2212 | RT:57.7 | grpid:759 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 462.22122959389
AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356
XCMS groupid (grpid): 759
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
102.055290222168	25408.091796875	7.69
114.073616027832	4833.80419921875	1.46
115.087074279785	4629.81689453125	1.4

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

RECORD_TITLE: MZ:476.1907 | RT:81.2 | grpid:787 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819
AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
XCMS groupid (grpid): 787
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
102.055404663086	20465.25	11.34
102.06177520752	3275.78784179688	1.82
103.278198242188	3364.96044921875	1.86

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

RECORD_TITLE: MZ:476.1907 | RT:81.2 | grpid:787 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819
AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
XCMS groupid (grpid): 787
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
102.055328369141	21638.3720703125	9.68
103.568260192871	3338.787109375	1.49
109.02855682373	5442.65234375	2.43

301.13948059082	13626.3889160156	6.09
302.141830444336	26676.0341796875	11.93
360.640808105469	4196.35400390625	1.88
480.125091552734	3905.12133789062	1.75

RECORD_TITLE: MZ:487.1812 | RT:66.7 | grpid:812 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 812
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
103.690208435059	5716.66162109375	0.05
112.050834655762	10987300	100
174.621200561523	5244.80419921875	0.05
200.266555786133	5990.37744140625	0.05
244.092468261719	104115.34375	0.95
448.8837890625	6051.86181640625	0.06

RECORD_TITLE: MZ:487.1812 | RT:66.7 | grpid:812 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989
AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
XCMS groupid (grpid): 812
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' 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:494.1968 | RT:49.9 | grpid:830 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669
AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528
XCMS groupid (grpid): 830
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
102.055335998535	154721.296875	15
102.392883300781	3496.21337890625	0.34
108.04434967041	4591.63720703125	0.45

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

RECORD_TITLE: MZ:494.1968 | RT:49.9 | grpid:830 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669
AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528
XCMS groupid (grpid): 830
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
101.02392578125	4665.49853515625	0.46
102.05541229248	139830.640625	13.9
108.044906616211	7338.142578125	0.73

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

RECORD_TITLE: MZ:498.1693 | RT:81.2 | grpid:840 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313
AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
XCMS groupid (grpid): 840
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
110.071174621582	19027.2734375	1.64
113.020904541016	9368.123046875	0.81
126.054611206055	5812.5556640625	0.5

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

RECORD_TITLE: MZ:498.1693 | RT:81.2 | grpid:840 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313
AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
XCMS groupid (grpid): 840
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
101.778099060059	3795.03295898438	0.41
106.049766540527	6611.89404296875	0.71
109.610725402832	3484.1552734375	0.37

369.126617431641	931572.6875	100
452.164489746094	61435.125	6.59
480.157287597656	16194.7509765625	1.74
498.169326782227	640386.810058594	68.74

RECORD_TITLE: MZ:499.2505 | RT:129.3 | grpid:843 | file:1 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464
AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086
XCMS groupid (grpid): 843
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.3 
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
118.086380004883	7052.74462890625	0.36
119.035583496094	4770.26611328125	0.24
137.045806884766	1959734	100

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

RECORD_TITLE: MZ:499.2505 | RT:129.3 | grpid:843 | file:2 | adduct:NA
MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464
AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086
XCMS groupid (grpid): 843
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' 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