Mercurial > repos > tomnl > mspurity_puritya
comparison test-data/createMSP_output_av_inter.msp @ 1:5106070fe93b draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit e67cf7a95ce430d1d373c03992a615da2f3eeeb1
| author | tomnl |
|---|---|
| date | Tue, 04 Jun 2019 10:46:29 -0400 |
| parents | 1251fc5c058e |
| children | a6f519dff5a8 |
comparison
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| 0:1251fc5c058e | 1:5106070fe93b |
|---|---|
| 1 RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | 1 RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA |
| 2 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 | 2 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 |
| 3 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 | 3 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 |
| 4 XCMS groupid (grpid): 12 | 4 XCMS groupid (grpid): 12 |
| 5 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 5 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 6 PK$NUM_PEAK: 2 | |
| 7 PK$PEAK: m/z int. rel.int. | |
| 8 112.050884246826 502873.46875 100 | |
| 9 126.53768157959 2499.31469726562 0.5 | |
| 10 | |
| 11 RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | |
| 12 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 | |
| 13 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 | |
| 14 XCMS groupid (grpid): 12 | |
| 15 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 16 PK$NUM_PEAK: 2 | 6 PK$NUM_PEAK: 2 |
| 17 PK$PEAK: m/z int. rel.int. | 7 PK$PEAK: m/z int. rel.int. |
| 18 112.050884246826 502873.46875 100 | 8 112.050884246826 502873.46875 100 |
| 19 126.53768157959 2499.31469726562 0.5 | 9 126.53768157959 2499.31469726562 0.5 |
| 20 | 10 |
| 21 RECORD_TITLE: MZ:113.0354 | RT:83.4 | grpid:14 | file:NA | 11 RECORD_TITLE: MZ:113.0354 | RT:83.4 | grpid:14 | file:NA |
| 22 MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282 | 12 MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282 |
| 23 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 | 13 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
| 24 XCMS groupid (grpid): 14 | 14 XCMS groupid (grpid): 14 |
| 25 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 15 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 26 PK$NUM_PEAK: 2 | |
| 27 PK$PEAK: m/z int. rel.int. | |
| 28 112.999992370605 67035.0703125 0.63 | |
| 29 113.03479385376 10613844.25 100 | |
| 30 | |
| 31 RECORD_TITLE: MZ:113.0354 | RT:83.4 | grpid:14 | file:NA | |
| 32 MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282 | |
| 33 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 | |
| 34 XCMS groupid (grpid): 14 | |
| 35 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 36 PK$NUM_PEAK: 2 | 16 PK$NUM_PEAK: 2 |
| 37 PK$PEAK: m/z int. rel.int. | 17 PK$PEAK: m/z int. rel.int. |
| 38 112.999992370605 67035.0703125 0.63 | 18 112.999992370605 67035.0703125 0.63 |
| 39 113.03479385376 10613844.25 100 | 19 113.03479385376 10613844.25 100 |
| 40 | 20 |
| 41 RECORD_TITLE: MZ:116.0706 | RT:47.7 | grpid:17 | file:NA | 21 RECORD_TITLE: MZ:116.0706 | RT:47.7 | grpid:17 | file:NA |
| 42 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099 | 22 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099 |
| 43 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 | 23 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
| 44 XCMS groupid (grpid): 17 | 24 XCMS groupid (grpid): 17 |
| 45 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 25 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 46 PK$NUM_PEAK: 3 | |
| 47 PK$PEAK: m/z int. rel.int. | |
| 48 116.016647338867 4672.2880859375 2.97 | |
| 49 116.070896148682 157547.453125 100 | |
| 50 116.107257843018 6525.58282470703 4.14 | |
| 51 | |
| 52 RECORD_TITLE: MZ:116.0706 | RT:47.7 | grpid:17 | file:NA | |
| 53 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099 | |
| 54 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 | |
| 55 XCMS groupid (grpid): 17 | |
| 56 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 57 PK$NUM_PEAK: 3 | 26 PK$NUM_PEAK: 3 |
| 58 PK$PEAK: m/z int. rel.int. | 27 PK$PEAK: m/z int. rel.int. |
| 59 116.016647338867 4672.2880859375 2.97 | 28 116.016647338867 4672.2880859375 2.97 |
| 60 116.070896148682 157547.453125 100 | 29 116.070896148682 157547.453125 100 |
| 61 116.107257843018 6525.58282470703 4.14 | 30 116.107257843018 6525.58282470703 4.14 |
| 62 | 31 |
| 63 RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:NA | 32 RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:NA |
| 64 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179 | 33 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179 |
| 65 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 | 34 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 |
| 66 XCMS groupid (grpid): 41 | 35 XCMS groupid (grpid): 41 |
| 67 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 36 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 68 PK$NUM_PEAK: 1 | |
| 69 PK$PEAK: m/z int. rel.int. | |
| 70 132.102035522461 338114.46875 100 | |
| 71 | |
| 72 RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:NA | |
| 73 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179 | |
| 74 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 | |
| 75 XCMS groupid (grpid): 41 | |
| 76 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 77 PK$NUM_PEAK: 1 | 37 PK$NUM_PEAK: 1 |
| 78 PK$PEAK: m/z int. rel.int. | 38 PK$PEAK: m/z int. rel.int. |
| 79 132.102035522461 338114.46875 100 | 39 132.102035522461 338114.46875 100 |
| 80 | 40 |
| 81 RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:NA | 41 RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:NA |
| 82 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527 | 42 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527 |
| 83 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 | 43 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
| 84 XCMS groupid (grpid): 47 | 44 XCMS groupid (grpid): 47 |
| 85 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 45 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 86 PK$NUM_PEAK: 17 | 46 PK$NUM_PEAK: 17 |
| 87 PK$PEAK: m/z int. rel.int. | 47 PK$PEAK: m/z int. rel.int. |
| 88 104.860054016113 30638.400390625 0.26 | 48 104.860054016113 30638.400390625 0.26 |
| 89 109.06566619873 2550.77392578125 0.02 | 49 109.06566619873 2550.77392578125 0.02 |
| 90 110.028198242188 67928.296875 0.58 | 50 110.028198242188 67928.296875 0.58 |
| 101 138.029312133789 2125.6455078125 0.02 | 61 138.029312133789 2125.6455078125 0.02 |
| 102 138.030548095703 43127.65234375 0.37 | 62 138.030548095703 43127.65234375 0.37 |
| 103 154.112442016602 2006.76232910156 0.02 | 63 154.112442016602 2006.76232910156 0.02 |
| 104 159.283874511719 2343.61376953125 0.02 | 64 159.283874511719 2343.61376953125 0.02 |
| 105 | 65 |
| 106 RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:NA | |
| 107 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527 | |
| 108 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 | |
| 109 XCMS groupid (grpid): 47 | |
| 110 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 111 PK$NUM_PEAK: 17 | |
| 112 PK$PEAK: m/z int. rel.int. | |
| 113 104.860054016113 30638.400390625 0.26 | |
| 114 109.06566619873 2550.77392578125 0.02 | |
| 115 110.028198242188 67928.296875 0.58 | |
| 116 110.035272598267 511818.559082031 4.38 | |
| 117 110.559509277344 33952.66015625 0.29 | |
| 118 112.050750732422 24920.3304443359 0.21 | |
| 119 119.020355224609 16488.48828125 0.14 | |
| 120 119.035472869873 376451.501953125 3.22 | |
| 121 127.993309020996 1960.09631347656 0.02 | |
| 122 128.04508972168 18434.0234375 0.16 | |
| 123 128.045852661133 75962.28125 0.65 | |
| 124 136.124038696289 2269.25805664062 0.02 | |
| 125 137.045829772949 11689172.5 100 | |
| 126 138.029312133789 2125.6455078125 0.02 | |
| 127 138.030548095703 43127.65234375 0.37 | |
| 128 154.112442016602 2006.76232910156 0.02 | |
| 129 159.283874511719 2343.61376953125 0.02 | |
| 130 | |
| 131 RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:NA | 66 RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:NA |
| 132 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982 | 67 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982 |
| 133 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 | 68 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
| 134 XCMS groupid (grpid): 48 | 69 XCMS groupid (grpid): 48 |
| 135 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 70 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 136 PK$NUM_PEAK: 3 | |
| 137 PK$PEAK: m/z int. rel.int. | |
| 138 110.060352325439 34625.283203125 7.61 | |
| 139 110.072189331055 8668.18530273438 1.9 | |
| 140 138.054901123047 455046.234375 100 | |
| 141 | |
| 142 RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:NA | |
| 143 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982 | |
| 144 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 | |
| 145 XCMS groupid (grpid): 48 | |
| 146 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 147 PK$NUM_PEAK: 3 | 71 PK$NUM_PEAK: 3 |
| 148 PK$PEAK: m/z int. rel.int. | 72 PK$PEAK: m/z int. rel.int. |
| 149 110.060352325439 34625.283203125 7.61 | 73 110.060352325439 34625.283203125 7.61 |
| 150 110.072189331055 8668.18530273438 1.9 | 74 110.072189331055 8668.18530273438 1.9 |
| 151 138.054901123047 455046.234375 100 | 75 138.054901123047 455046.234375 100 |
| 152 | 76 |
| 153 RECORD_TITLE: MZ:138.0487 | RT:127 | grpid:49 | file:NA | 77 RECORD_TITLE: MZ:138.0487 | RT:127 | grpid:49 | file:NA |
| 154 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006 | 78 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006 |
| 155 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 | 79 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
| 156 XCMS groupid (grpid): 49 | 80 XCMS groupid (grpid): 49 |
| 157 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 81 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 158 PK$NUM_PEAK: 8 | 82 PK$NUM_PEAK: 8 |
| 159 PK$PEAK: m/z int. rel.int. | 83 PK$PEAK: m/z int. rel.int. |
| 160 110.035133361816 4197.11962890625 0.87 | 84 110.035133361816 4197.11962890625 0.87 |
| 161 111.032066345215 3606.22302246094 0.75 | 85 111.032066345215 3606.22302246094 0.75 |
| 162 111.038753509521 22056.884765625 4.56 | 86 111.038753509521 22056.884765625 4.56 |
| 164 120.038921356201 14920.083984375 3.08 | 88 120.038921356201 14920.083984375 3.08 |
| 165 131.267166137695 2650.74243164062 0.55 | 89 131.267166137695 2650.74243164062 0.55 |
| 166 137.396865844727 3584.59228515625 0.74 | 90 137.396865844727 3584.59228515625 0.74 |
| 167 138.050010681152 483746.53125 100 | 91 138.050010681152 483746.53125 100 |
| 168 | 92 |
| 169 RECORD_TITLE: MZ:138.0487 | RT:127 | grpid:49 | file:NA | |
| 170 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006 | |
| 171 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 | |
| 172 XCMS groupid (grpid): 49 | |
| 173 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 174 PK$NUM_PEAK: 8 | |
| 175 PK$PEAK: m/z int. rel.int. | |
| 176 110.035133361816 4197.11962890625 0.87 | |
| 177 111.032066345215 3606.22302246094 0.75 | |
| 178 111.038753509521 22056.884765625 4.56 | |
| 179 120.031585693359 3442.69409179688 0.71 | |
| 180 120.038921356201 14920.083984375 3.08 | |
| 181 131.267166137695 2650.74243164062 0.55 | |
| 182 137.396865844727 3584.59228515625 0.74 | |
| 183 138.050010681152 483746.53125 100 | |
| 184 | |
| 185 RECORD_TITLE: MZ:140.0678 | RT:46.2 | grpid:51 | file:NA | 93 RECORD_TITLE: MZ:140.0678 | RT:46.2 | grpid:51 | file:NA |
| 186 MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286 | 94 MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286 |
| 187 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 | 95 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
| 188 XCMS groupid (grpid): 51 | 96 XCMS groupid (grpid): 51 |
| 189 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 97 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 190 PK$NUM_PEAK: 4 | 98 PK$NUM_PEAK: 4 |
| 191 PK$PEAK: m/z int. rel.int. | 99 PK$PEAK: m/z int. rel.int. |
| 192 108.959754943848 2408.8056640625 0.05 | 100 108.959754943848 2408.8056640625 0.05 |
| 193 114.089179992676 568595.515625 10.75 | 101 114.089179992676 568595.515625 10.75 |
| 194 140.06812286377 5286829.375 100 | 102 140.06812286377 5286829.375 100 |
| 195 143.032638549805 2735.88037109375 0.05 | 103 143.032638549805 2735.88037109375 0.05 |
| 196 | 104 |
| 197 RECORD_TITLE: MZ:140.0678 | RT:46.2 | grpid:51 | file:NA | |
| 198 MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286 | |
| 199 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 | |
| 200 XCMS groupid (grpid): 51 | |
| 201 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 202 PK$NUM_PEAK: 4 | |
| 203 PK$PEAK: m/z int. rel.int. | |
| 204 108.959754943848 2408.8056640625 0.05 | |
| 205 114.089179992676 568595.515625 10.75 | |
| 206 140.06812286377 5286829.375 100 | |
| 207 143.032638549805 2735.88037109375 0.05 | |
| 208 | |
| 209 RECORD_TITLE: MZ:146.1174 | RT:46.2 | grpid:62 | file:NA | 105 RECORD_TITLE: MZ:146.1174 | RT:46.2 | grpid:62 | file:NA |
| 210 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245 | 106 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245 |
| 211 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 | 107 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
| 212 XCMS groupid (grpid): 62 | 108 XCMS groupid (grpid): 62 |
| 213 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 109 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 214 PK$NUM_PEAK: 19 | 110 PK$NUM_PEAK: 19 |
| 215 PK$PEAK: m/z int. rel.int. | 111 PK$PEAK: m/z int. rel.int. |
| 216 100.021862030029 18680.7416992188 0.38 | 112 100.021862030029 18680.7416992188 0.38 |
| 217 101.070411682129 2306.69653320312 0.05 | 113 101.070411682129 2306.69653320312 0.05 |
| 218 102.055847167969 2466.92114257812 0.05 | 114 102.055847167969 2466.92114257812 0.05 |
| 231 146.059921264648 10817.2392578125 0.22 | 127 146.059921264648 10817.2392578125 0.22 |
| 232 146.117538452148 4981335.953125 100 | 128 146.117538452148 4981335.953125 100 |
| 233 147.075866699219 2905.49487304688 0.06 | 129 147.075866699219 2905.49487304688 0.06 |
| 234 150.785629272461 2500.5302734375 0.05 | 130 150.785629272461 2500.5302734375 0.05 |
| 235 | 131 |
| 236 RECORD_TITLE: MZ:146.1174 | RT:46.2 | grpid:62 | file:NA | |
| 237 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245 | |
| 238 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 | |
| 239 XCMS groupid (grpid): 62 | |
| 240 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 241 PK$NUM_PEAK: 19 | |
| 242 PK$PEAK: m/z int. rel.int. | |
| 243 100.021862030029 18680.7416992188 0.38 | |
| 244 101.070411682129 2306.69653320312 0.05 | |
| 245 102.055847167969 2466.92114257812 0.05 | |
| 246 108.055778503418 11361.3504638672 0.23 | |
| 247 112.465751647949 20960.951171875 0.42 | |
| 248 114.566963195801 2266.10009765625 0.05 | |
| 249 115.129852294922 2413.13818359375 0.05 | |
| 250 118.065389633179 17228.7104492188 0.35 | |
| 251 125.844314575195 2225.98388671875 0.04 | |
| 252 128.070281982422 32862.80078125 0.66 | |
| 253 128.070991516113 7382.12426757812 0.15 | |
| 254 130.04967880249 12921.7691040039 0.26 | |
| 255 130.086532592773 3415.60205078125 0.07 | |
| 256 144.766357421875 23252.271484375 0.47 | |
| 257 146.028373718262 7016.0517578125 0.14 | |
| 258 146.059921264648 10817.2392578125 0.22 | |
| 259 146.117538452148 4981335.953125 100 | |
| 260 147.075866699219 2905.49487304688 0.06 | |
| 261 150.785629272461 2500.5302734375 0.05 | |
| 262 | |
| 263 RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:NA | 132 RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:NA |
| 264 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061 | 133 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061 |
| 265 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 | 134 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
| 266 XCMS groupid (grpid): 63 | 135 XCMS groupid (grpid): 63 |
| 267 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 136 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 268 PK$NUM_PEAK: 24 | 137 PK$NUM_PEAK: 24 |
| 269 PK$PEAK: m/z int. rel.int. | 138 PK$PEAK: m/z int. rel.int. |
| 270 101.071350097656 3517.31768798828 0.11 | 139 101.071350097656 3517.31768798828 0.11 |
| 271 102.047164916992 3041.80541992188 0.09 | 140 102.047164916992 3041.80541992188 0.09 |
| 272 102.055267333984 4384.31787109375 0.13 | 141 102.055267333984 4384.31787109375 0.13 |
| 290 147.080383300781 14796.041015625 0.45 | 159 147.080383300781 14796.041015625 0.45 |
| 291 147.112648010254 9715.71276855469 0.3 | 160 147.112648010254 9715.71276855469 0.3 |
| 292 152.669158935547 2885.892578125 0.09 | 161 152.669158935547 2885.892578125 0.09 |
| 293 160.075782775879 5639.66687011719 0.17 | 162 160.075782775879 5639.66687011719 0.17 |
| 294 | 163 |
| 295 RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:NA | |
| 296 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061 | |
| 297 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 | |
| 298 XCMS groupid (grpid): 63 | |
| 299 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 300 PK$NUM_PEAK: 24 | |
| 301 PK$PEAK: m/z int. rel.int. | |
| 302 101.071350097656 3517.31768798828 0.11 | |
| 303 102.047164916992 3041.80541992188 0.09 | |
| 304 102.055267333984 4384.31787109375 0.13 | |
| 305 103.048835754395 5009.00244140625 0.15 | |
| 306 103.054626464844 208935.12890625 6.39 | |
| 307 112.236755371094 2519.7568359375 0.08 | |
| 308 119.049339294434 3269072.0625 100 | |
| 309 120.011459350586 3004.84851074219 0.09 | |
| 310 123.77320098877 3188.40380859375 0.1 | |
| 311 124.979553222656 2343.61987304688 0.07 | |
| 312 126.545722961426 2381.10522460938 0.07 | |
| 313 129.07007598877 3479.66351318359 0.11 | |
| 314 129.10237121582 3090.92822265625 0.09 | |
| 315 130.05001449585 67457.0048828125 2.06 | |
| 316 130.076995849609 5364.62841796875 0.16 | |
| 317 130.086269378662 95221.994140625 2.91 | |
| 318 131.550384521484 3396.27563476562 0.1 | |
| 319 136.545654296875 2581.0390625 0.08 | |
| 320 147.043979644775 923498.71875 28.25 | |
| 321 147.079299926758 12881.609375 0.39 | |
| 322 147.080383300781 14796.041015625 0.45 | |
| 323 147.112648010254 9715.71276855469 0.3 | |
| 324 152.669158935547 2885.892578125 0.09 | |
| 325 160.075782775879 5639.66687011719 0.17 | |
| 326 | |
| 327 RECORD_TITLE: MZ:148.0427 | RT:64.4 | grpid:66 | file:NA | 164 RECORD_TITLE: MZ:148.0427 | RT:64.4 | grpid:66 | file:NA |
| 328 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669 | 165 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669 |
| 329 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 | 166 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
| 330 XCMS groupid (grpid): 66 | 167 XCMS groupid (grpid): 66 |
| 331 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 168 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 332 PK$NUM_PEAK: 19 | 169 PK$NUM_PEAK: 19 |
| 333 PK$PEAK: m/z int. rel.int. | 170 PK$PEAK: m/z int. rel.int. |
| 334 102.001239776611 494904.296875 28.13 | 171 102.001239776611 494904.296875 28.13 |
| 335 102.037693023682 32286.736328125 1.84 | 172 102.037693023682 32286.736328125 1.84 |
| 336 102.055305480957 25863.833984375 1.47 | 173 102.055305480957 25863.833984375 1.47 |
| 349 134.027465820312 5199.03125 0.3 | 186 134.027465820312 5199.03125 0.3 |
| 350 148.042625427246 1528721.5625 86.91 | 187 148.042625427246 1528721.5625 86.91 |
| 351 157.48600769043 2885.98486328125 0.16 | 188 157.48600769043 2885.98486328125 0.16 |
| 352 160.701766967773 2493.13793945312 0.14 | 189 160.701766967773 2493.13793945312 0.14 |
| 353 | 190 |
| 354 RECORD_TITLE: MZ:148.0427 | RT:64.4 | grpid:66 | file:NA | |
| 355 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669 | |
| 356 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 | |
| 357 XCMS groupid (grpid): 66 | |
| 358 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 359 PK$NUM_PEAK: 19 | |
| 360 PK$PEAK: m/z int. rel.int. | |
| 361 102.001239776611 494904.296875 28.13 | |
| 362 102.037693023682 32286.736328125 1.84 | |
| 363 102.055305480957 25863.833984375 1.47 | |
| 364 102.902954101562 2297.19018554688 0.13 | |
| 365 103.082748413086 2655.95483398438 0.15 | |
| 366 120.011615753174 1759045.5 100 | |
| 367 122.01634979248 2559.43994140625 0.15 | |
| 368 130.050086975098 16121.740234375 0.92 | |
| 369 130.086097717285 5192.6826171875 0.3 | |
| 370 131.052658081055 3329.10791015625 0.19 | |
| 371 131.053466796875 4939.97802734375 0.28 | |
| 372 131.089218139648 4804.13818359375 0.27 | |
| 373 131.089935302734 3828.04296875 0.22 | |
| 374 133.019264221191 32773.8134765625 1.86 | |
| 375 134.02668762207 3603.13940429688 0.2 | |
| 376 134.027465820312 5199.03125 0.3 | |
| 377 148.042625427246 1528721.5625 86.91 | |
| 378 157.48600769043 2885.98486328125 0.16 | |
| 379 160.701766967773 2493.13793945312 0.14 | |
| 380 | |
| 381 RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:NA | 191 RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:NA |
| 382 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704 | 192 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704 |
| 383 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956 | 193 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956 |
| 384 XCMS groupid (grpid): 67 | 194 XCMS groupid (grpid): 67 |
| 385 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 195 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 386 PK$NUM_PEAK: 25 | 196 PK$NUM_PEAK: 25 |
| 387 PK$PEAK: m/z int. rel.int. | 197 PK$PEAK: m/z int. rel.int. |
| 388 104.016593933105 35712.279296875 1.48 | 198 104.016593933105 35712.279296875 1.48 |
| 389 109.031856536865 23852.3662109375 0.99 | 199 109.031856536865 23852.3662109375 0.99 |
| 390 110.097152709961 2624.76928710938 0.11 | 200 110.097152709961 2624.76928710938 0.11 |
| 409 149.026321411133 1661629.9375 68.79 | 219 149.026321411133 1661629.9375 68.79 |
| 410 152.037406921387 23825.5322265625 0.99 | 220 152.037406921387 23825.5322265625 0.99 |
| 411 153.007194519043 11686.4731445312 0.48 | 221 153.007194519043 11686.4731445312 0.48 |
| 412 158.012702941895 18203.15625 0.75 | 222 158.012702941895 18203.15625 0.75 |
| 413 | 223 |
| 414 RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:NA | |
| 415 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704 | |
| 416 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956 | |
| 417 XCMS groupid (grpid): 67 | |
| 418 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 419 PK$NUM_PEAK: 25 | |
| 420 PK$PEAK: m/z int. rel.int. | |
| 421 104.016593933105 35712.279296875 1.48 | |
| 422 109.031856536865 23852.3662109375 0.99 | |
| 423 110.097152709961 2624.76928710938 0.11 | |
| 424 111.011154174805 2415346 100 | |
| 425 112.343109130859 2894.3193359375 0.12 | |
| 426 113.01549911499 5338.9716796875 0.22 | |
| 427 115.005714416504 3792.97241210938 0.16 | |
| 428 116.986122131348 54931.22265625 2.27 | |
| 429 120.011371612549 254724.15625 10.55 | |
| 430 121.015331268311 3790.49938964844 0.16 | |
| 431 121.028656005859 78045.68359375 3.23 | |
| 432 121.038391113281 5323.67114257812 0.22 | |
| 433 121.065780639648 3160.08813476562 0.13 | |
| 434 125.026542663574 18349.87890625 0.76 | |
| 435 129.021514892578 76939.79296875 3.19 | |
| 436 131.049354553223 7661.98791503906 0.32 | |
| 437 132.047546386719 5366.337890625 0.22 | |
| 438 134.026878356934 154087.6953125 6.38 | |
| 439 134.996475219727 54266.62109375 2.25 | |
| 440 136.622482299805 2669.64990234375 0.11 | |
| 441 140.001815795898 5908.6142578125 0.24 | |
| 442 149.026321411133 1661629.9375 68.79 | |
| 443 152.037406921387 23825.5322265625 0.99 | |
| 444 153.007194519043 11686.4731445312 0.48 | |
| 445 158.012702941895 18203.15625 0.75 | |
| 446 | |
| 447 RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:NA | 224 RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:NA |
| 448 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588 | 225 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588 |
| 449 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 | 226 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
| 450 XCMS groupid (grpid): 68 | 227 XCMS groupid (grpid): 68 |
| 451 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 228 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 452 PK$NUM_PEAK: 26 | 229 PK$NUM_PEAK: 26 |
| 453 PK$PEAK: m/z int. rel.int. | 230 PK$PEAK: m/z int. rel.int. |
| 454 101.579109191895 20766.212890625 0.27 | 231 101.579109191895 20766.212890625 0.27 |
| 455 102.05541229248 2220236.12402344 29.19 | 232 102.05541229248 2220236.12402344 29.19 |
| 456 103.99649810791 3555.7119140625 0.05 | 233 103.99649810791 3555.7119140625 0.05 |
| 476 150.112930297852 3834.1953125 0.05 | 253 150.112930297852 3834.1953125 0.05 |
| 477 150.127395629883 4024.62670898438 0.05 | 254 150.127395629883 4024.62670898438 0.05 |
| 478 150.128646850586 2830.20849609375 0.04 | 255 150.128646850586 2830.20849609375 0.04 |
| 479 155.097625732422 22783.2734375 0.3 | 256 155.097625732422 22783.2734375 0.3 |
| 480 | 257 |
| 481 RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:NA | |
| 482 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588 | |
| 483 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 | |
| 484 XCMS groupid (grpid): 68 | |
| 485 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 486 PK$NUM_PEAK: 26 | |
| 487 PK$PEAK: m/z int. rel.int. | |
| 488 101.579109191895 20766.212890625 0.27 | |
| 489 102.05541229248 2220236.12402344 29.19 | |
| 490 103.99649810791 3555.7119140625 0.05 | |
| 491 103.997314453125 2148.16162109375 0.03 | |
| 492 104.053255081177 7605108.34375 100 | |
| 493 105.000953674316 163845.359375 2.15 | |
| 494 105.037208557129 269623.984375 3.55 | |
| 495 106.336433410645 2694.6591796875 0.04 | |
| 496 115.794555664062 2042.23522949219 0.03 | |
| 497 117.98902130127 2109.99584960938 0.03 | |
| 498 122.007400512695 14145.4965820312 0.19 | |
| 499 122.059936523438 4208.95556640625 0.06 | |
| 500 124.446136474609 1894.35131835938 0.02 | |
| 501 133.03186416626 5109359 67.18 | |
| 502 137.41633605957 30549.828125 0.4 | |
| 503 143.242492675781 2529.74877929688 0.03 | |
| 504 150.027221679688 17690.6416015625 0.23 | |
| 505 150.03832244873 33152.48828125 0.44 | |
| 506 150.058116912842 925014.542236328 12.16 | |
| 507 150.090744018555 4340.6669921875 0.06 | |
| 508 150.09162902832 3476.15454101562 0.05 | |
| 509 150.112060546875 5071.3125 0.07 | |
| 510 150.112930297852 3834.1953125 0.05 | |
| 511 150.127395629883 4024.62670898438 0.05 | |
| 512 150.128646850586 2830.20849609375 0.04 | |
| 513 155.097625732422 22783.2734375 0.3 | |
| 514 | |
| 515 RECORD_TITLE: MZ:153.0407 | RT:84.2 | grpid:72 | file:NA | 258 RECORD_TITLE: MZ:153.0407 | RT:84.2 | grpid:72 | file:NA |
| 516 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011 | 259 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011 |
| 517 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 | 260 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
| 518 XCMS groupid (grpid): 72 | 261 XCMS groupid (grpid): 72 |
| 519 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 262 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 520 PK$NUM_PEAK: 32 | 263 PK$NUM_PEAK: 32 |
| 521 PK$PEAK: m/z int. rel.int. | 264 PK$PEAK: m/z int. rel.int. |
| 522 100.120269775391 2219.037109375 0.07 | 265 100.120269775391 2219.037109375 0.07 |
| 523 107.08572769165 9638.64379882812 0.29 | 266 107.08572769165 9638.64379882812 0.29 |
| 524 108.01940536499 11101.5715332031 0.33 | 267 108.01940536499 11101.5715332031 0.33 |
| 550 153.127330780029 12183.8775634766 0.36 | 293 153.127330780029 12183.8775634766 0.36 |
| 551 154.02466583252 1512312.21875 45 | 294 154.02466583252 1512312.21875 45 |
| 552 158.011642456055 3504.88745117188 0.1 | 295 158.011642456055 3504.88745117188 0.1 |
| 553 168.04069519043 26535.353515625 0.79 | 296 168.04069519043 26535.353515625 0.79 |
| 554 | 297 |
| 555 RECORD_TITLE: MZ:153.0407 | RT:84.2 | grpid:72 | file:NA | |
| 556 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011 | |
| 557 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 | |
| 558 XCMS groupid (grpid): 72 | |
| 559 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 560 PK$NUM_PEAK: 32 | |
| 561 PK$PEAK: m/z int. rel.int. | |
| 562 100.120269775391 2219.037109375 0.07 | |
| 563 107.08572769165 9638.64379882812 0.29 | |
| 564 108.01940536499 11101.5715332031 0.33 | |
| 565 108.443885803223 2329.408203125 0.07 | |
| 566 109.10099029541 3362.6435546875 0.1 | |
| 567 110.03524017334 1040448.5625 30.96 | |
| 568 111.044418334961 11947.40625 0.36 | |
| 569 111.080368041992 2874.97290039062 0.09 | |
| 570 113.00806427002 19917.9453125 0.59 | |
| 571 114.882606506348 2383.2900390625 0.07 | |
| 572 115.012451171875 20400.2109375 0.61 | |
| 573 116.986112594604 7131.04992675781 0.21 | |
| 574 121.812217712402 11519.919921875 0.34 | |
| 575 125.060371398926 3947.40478515625 0.12 | |
| 576 125.071716308594 3712.6376953125 0.11 | |
| 577 128.045635223389 210977.275390625 6.28 | |
| 578 134.996379852295 8052.63696289062 0.24 | |
| 579 135.030235290527 26238.5684204102 0.78 | |
| 580 135.080642700195 3373.82641601562 0.1 | |
| 581 135.117233276367 3593.927734375 0.11 | |
| 582 135.805206298828 11823.5634765625 0.35 | |
| 583 136.014175415039 1276133.3359375 37.97 | |
| 584 137.058334350586 2331.7724609375 0.07 | |
| 585 140.413299560547 2165.29467773438 0.06 | |
| 586 146.555084228516 2194.45166015625 0.07 | |
| 587 148.740234375 2312.7158203125 0.07 | |
| 588 153.040702819824 3360667.8125 100 | |
| 589 153.090744018555 15144.04296875 0.45 | |
| 590 153.127330780029 12183.8775634766 0.36 | |
| 591 154.02466583252 1512312.21875 45 | |
| 592 158.011642456055 3504.88745117188 0.1 | |
| 593 168.04069519043 26535.353515625 0.79 | |
| 594 | |
| 595 RECORD_TITLE: MZ:156.0762 | RT:47.7 | grpid:75 | file:NA | 298 RECORD_TITLE: MZ:156.0762 | RT:47.7 | grpid:75 | file:NA |
| 596 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314 | 299 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314 |
| 597 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 | 300 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
| 598 XCMS groupid (grpid): 75 | 301 XCMS groupid (grpid): 75 |
| 599 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 302 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 600 PK$NUM_PEAK: 9 | 303 PK$NUM_PEAK: 9 |
| 601 PK$PEAK: m/z int. rel.int. | 304 PK$PEAK: m/z int. rel.int. |
| 602 110.071624755859 233266.3125 49.12 | 305 110.071624755859 233266.3125 49.12 |
| 603 111.068424224854 75318.78125 15.86 | 306 111.068424224854 75318.78125 15.86 |
| 604 111.074996948242 474849.578125 100 | 307 111.074996948242 474849.578125 100 |
| 607 139.086585998535 11337.1794433594 2.39 | 310 139.086585998535 11337.1794433594 2.39 |
| 608 139.111877441406 3248.52099609375 0.68 | 311 139.111877441406 3248.52099609375 0.68 |
| 609 157.080718994141 80493.08203125 16.95 | 312 157.080718994141 80493.08203125 16.95 |
| 610 157.097686767578 8786.46240234375 1.85 | 313 157.097686767578 8786.46240234375 1.85 |
| 611 | 314 |
| 612 RECORD_TITLE: MZ:156.0762 | RT:47.7 | grpid:75 | file:NA | |
| 613 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314 | |
| 614 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 | |
| 615 XCMS groupid (grpid): 75 | |
| 616 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 617 PK$NUM_PEAK: 9 | |
| 618 PK$PEAK: m/z int. rel.int. | |
| 619 110.071624755859 233266.3125 49.12 | |
| 620 111.068424224854 75318.78125 15.86 | |
| 621 111.074996948242 474849.578125 100 | |
| 622 121.10139465332 2579.52172851562 0.54 | |
| 623 130.062957763672 212641.395141602 44.78 | |
| 624 139.086585998535 11337.1794433594 2.39 | |
| 625 139.111877441406 3248.52099609375 0.68 | |
| 626 157.080718994141 80493.08203125 16.95 | |
| 627 157.097686767578 8786.46240234375 1.85 | |
| 628 | |
| 629 RECORD_TITLE: MZ:158.0912 | RT:43.9 | grpid:77 | file:NA | 315 RECORD_TITLE: MZ:158.0912 | RT:43.9 | grpid:77 | file:NA |
| 630 MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484 | 316 MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484 |
| 631 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 | 317 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
| 632 XCMS groupid (grpid): 77 | 318 XCMS groupid (grpid): 77 |
| 633 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 319 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 634 PK$NUM_PEAK: 16 | 320 PK$NUM_PEAK: 16 |
| 635 PK$PEAK: m/z int. rel.int. | 321 PK$PEAK: m/z int. rel.int. |
| 636 102.091789245605 36397.75 12.2 | 322 102.091789245605 36397.75 12.2 |
| 637 107.244758605957 2121.91967773438 0.71 | 323 107.244758605957 2121.91967773438 0.71 |
| 638 110.071487426758 4605.98937988281 1.54 | 324 110.071487426758 4605.98937988281 1.54 |
| 648 158.153930664062 75786.8203125 25.41 | 334 158.153930664062 75786.8203125 25.41 |
| 649 158.583435058594 2426.4375 0.81 | 335 158.583435058594 2426.4375 0.81 |
| 650 159.07698059082 3112.70642089844 1.04 | 336 159.07698059082 3112.70642089844 1.04 |
| 651 159.090621948242 2369.67138671875 0.79 | 337 159.090621948242 2369.67138671875 0.79 |
| 652 | 338 |
| 653 RECORD_TITLE: MZ:158.0912 | RT:43.9 | grpid:77 | file:NA | |
| 654 MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484 | |
| 655 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 | |
| 656 XCMS groupid (grpid): 77 | |
| 657 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 658 PK$NUM_PEAK: 16 | |
| 659 PK$PEAK: m/z int. rel.int. | |
| 660 102.091789245605 36397.75 12.2 | |
| 661 107.244758605957 2121.91967773438 0.71 | |
| 662 110.071487426758 4605.98937988281 1.54 | |
| 663 112.079177856445 4014.5673828125 1.35 | |
| 664 112.087253570557 135874.2734375 45.55 | |
| 665 113.071388244629 4898.7001953125 1.64 | |
| 666 115.08674621582 2881.50634765625 0.97 | |
| 667 116.070934295654 40194.537109375 13.47 | |
| 668 131.929992675781 2230.50756835938 0.75 | |
| 669 141.065773010254 8455.18334960938 2.83 | |
| 670 154.506774902344 2119.57861328125 0.71 | |
| 671 158.092407226562 298314.3125 100 | |
| 672 158.153930664062 75786.8203125 25.41 | |
| 673 158.583435058594 2426.4375 0.81 | |
| 674 159.07698059082 3112.70642089844 1.04 | |
| 675 159.090621948242 2369.67138671875 0.79 | |
| 676 | |
| 677 RECORD_TITLE: MZ:164.93 | RT:40.2 | grpid:88 | file:NA | 339 RECORD_TITLE: MZ:164.93 | RT:40.2 | grpid:88 | file:NA |
| 678 MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987 | 340 MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987 |
| 679 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702 | 341 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702 |
| 680 XCMS groupid (grpid): 88 | 342 XCMS groupid (grpid): 88 |
| 681 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 343 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 682 PK$NUM_PEAK: 4 | 344 PK$NUM_PEAK: 4 |
| 683 PK$PEAK: m/z int. rel.int. | 345 PK$PEAK: m/z int. rel.int. |
| 684 113.554153442383 2184.888671875 0.2 | 346 113.554153442383 2184.888671875 0.2 |
| 685 140.266235351562 2726.23486328125 0.25 | 347 140.266235351562 2726.23486328125 0.25 |
| 686 164.930236816406 1078114.4375 100 | 348 164.930236816406 1078114.4375 100 |
| 687 165.09033203125 2780.28442382812 0.26 | 349 165.09033203125 2780.28442382812 0.26 |
| 688 | 350 |
| 689 RECORD_TITLE: MZ:164.93 | RT:40.2 | grpid:88 | file:NA | |
| 690 MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987 | |
| 691 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702 | |
| 692 XCMS groupid (grpid): 88 | |
| 693 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 694 PK$NUM_PEAK: 4 | |
| 695 PK$PEAK: m/z int. rel.int. | |
| 696 113.554153442383 2184.888671875 0.2 | |
| 697 140.266235351562 2726.23486328125 0.25 | |
| 698 164.930236816406 1078114.4375 100 | |
| 699 165.09033203125 2780.28442382812 0.26 | |
| 700 | |
| 701 RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:NA | 351 RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:NA |
| 702 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227 | 352 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227 |
| 703 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 | 353 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
| 704 XCMS groupid (grpid): 89 | 354 XCMS groupid (grpid): 89 |
| 705 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 355 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 706 PK$NUM_PEAK: 26 | 356 PK$NUM_PEAK: 26 |
| 707 PK$PEAK: m/z int. rel.int. | 357 PK$PEAK: m/z int. rel.int. |
| 708 100.539291381836 3935.75927734375 0.06 | 358 100.539291381836 3935.75927734375 0.06 |
| 709 103.047622680664 7486.65576171875 0.11 | 359 103.047622680664 7486.65576171875 0.11 |
| 710 103.054666519165 271154.845703125 4.11 | 360 103.054666519165 271154.845703125 4.11 |
| 730 160.074890136719 7089.93896484375 0.11 | 380 160.074890136719 7089.93896484375 0.11 |
| 731 164.0703125 23256.6977539062 0.35 | 381 164.0703125 23256.6977539062 0.35 |
| 732 165.05456161499 358915.645507812 5.44 | 382 165.05456161499 358915.645507812 5.44 |
| 733 165.091033935547 3725.4970703125 0.06 | 383 165.091033935547 3725.4970703125 0.06 |
| 734 | 384 |
| 735 RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:NA | |
| 736 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227 | |
| 737 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 | |
| 738 XCMS groupid (grpid): 89 | |
| 739 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 740 PK$NUM_PEAK: 26 | |
| 741 PK$PEAK: m/z int. rel.int. | |
| 742 100.539291381836 3935.75927734375 0.06 | |
| 743 103.047622680664 7486.65576171875 0.11 | |
| 744 103.054666519165 271154.845703125 4.11 | |
| 745 105.04483795166 33739.1015625 0.51 | |
| 746 107.049537658691 8096.30053710938 0.12 | |
| 747 109.065114974976 204048.1640625 3.09 | |
| 748 110.195671081543 2245.8408203125 0.03 | |
| 749 112.572219848633 2393.64599609375 0.04 | |
| 750 118.064872741699 5888.3603515625 0.09 | |
| 751 119.049356460571 3022723.1640625 45.78 | |
| 752 119.961051940918 2566.78955078125 0.04 | |
| 753 120.056350708008 3493.94995117188 0.05 | |
| 754 120.057350158691 6141.52197265625 0.09 | |
| 755 120.808494567871 3175.38256835938 0.05 | |
| 756 121.065013885498 158455.069091797 2.4 | |
| 757 123.044193267822 6602083.125 100 | |
| 758 135.623550415039 2902.09716796875 0.04 | |
| 759 137.049652099609 5130.408203125 0.08 | |
| 760 137.059581756592 146661.445068359 2.22 | |
| 761 137.070190429688 8523.322265625 0.13 | |
| 762 137.0966796875 2327.9169921875 0.04 | |
| 763 147.043960571289 1275341.73632812 19.32 | |
| 764 160.074890136719 7089.93896484375 0.11 | |
| 765 164.0703125 23256.6977539062 0.35 | |
| 766 165.05456161499 358915.645507812 5.44 | |
| 767 165.091033935547 3725.4970703125 0.06 | |
| 768 | |
| 769 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:NA | 385 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:NA |
| 770 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268 | 386 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268 |
| 771 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 | 387 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
| 772 XCMS groupid (grpid): 97 | 388 XCMS groupid (grpid): 97 |
| 773 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 389 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 774 PK$NUM_PEAK: 10 | 390 PK$NUM_PEAK: 10 |
| 775 PK$PEAK: m/z int. rel.int. | 391 PK$PEAK: m/z int. rel.int. |
| 776 107.060688018799 14660.7255859375 0.26 | 392 107.060688018799 14660.7255859375 0.26 |
| 777 109.076358795166 926656.0625 16.67 | 393 109.076358795166 926656.0625 16.67 |
| 778 124.087062835693 5558419.25 100 | 394 124.087062835693 5558419.25 100 |
| 782 153.064628601074 7258.8037109375 0.13 | 398 153.064628601074 7258.8037109375 0.13 |
| 783 153.065475463867 16002.173828125 0.29 | 399 153.065475463867 16002.173828125 0.29 |
| 784 153.075119018555 9385.91162109375 0.17 | 400 153.075119018555 9385.91162109375 0.17 |
| 785 170.09236907959 1250927.875 22.51 | 401 170.09236907959 1250927.875 22.51 |
| 786 | 402 |
| 787 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:NA | |
| 788 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268 | |
| 789 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 | |
| 790 XCMS groupid (grpid): 97 | |
| 791 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 792 PK$NUM_PEAK: 10 | |
| 793 PK$PEAK: m/z int. rel.int. | |
| 794 107.060688018799 14660.7255859375 0.26 | |
| 795 109.076358795166 926656.0625 16.67 | |
| 796 124.087062835693 5558419.25 100 | |
| 797 125.071048736572 100587.65625 1.81 | |
| 798 126.102569580078 26511.75390625 0.48 | |
| 799 152.082084655762 6166.54272460938 0.11 | |
| 800 153.064628601074 7258.8037109375 0.13 | |
| 801 153.065475463867 16002.173828125 0.29 | |
| 802 153.075119018555 9385.91162109375 0.17 | |
| 803 170.09236907959 1250927.875 22.51 | |
| 804 | |
| 805 RECORD_TITLE: MZ:178.0573 | RT:45.4 | grpid:106 | file:NA | 403 RECORD_TITLE: MZ:178.0573 | RT:45.4 | grpid:106 | file:NA |
| 806 MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919 | 404 MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919 |
| 807 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 | 405 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
| 808 XCMS groupid (grpid): 106 | 406 XCMS groupid (grpid): 106 |
| 809 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 407 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 810 PK$NUM_PEAK: 11 | 408 PK$NUM_PEAK: 11 |
| 811 PK$PEAK: m/z int. rel.int. | 409 PK$PEAK: m/z int. rel.int. |
| 812 105.042713165283 16808.7358398438 1.11 | 410 105.042713165283 16808.7358398438 1.11 |
| 813 119.994201660156 3506.71118164062 0.23 | 411 119.994201660156 3506.71118164062 0.23 |
| 814 132.053298950195 6451.77587890625 0.43 | 412 132.053298950195 6451.77587890625 0.43 |
| 819 160.048583984375 23262.9453125 1.54 | 417 160.048583984375 23262.9453125 1.54 |
| 820 161.032402038574 5563.55102539062 0.37 | 418 161.032402038574 5563.55102539062 0.37 |
| 821 178.058639526367 1510599.6875 100 | 419 178.058639526367 1510599.6875 100 |
| 822 182.990447998047 3695.43188476562 0.24 | 420 182.990447998047 3695.43188476562 0.24 |
| 823 | 421 |
| 824 RECORD_TITLE: MZ:178.0573 | RT:45.4 | grpid:106 | file:NA | |
| 825 MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919 | |
| 826 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 | |
| 827 XCMS groupid (grpid): 106 | |
| 828 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 829 PK$NUM_PEAK: 11 | |
| 830 PK$PEAK: m/z int. rel.int. | |
| 831 105.042713165283 16808.7358398438 1.11 | |
| 832 119.994201660156 3506.71118164062 0.23 | |
| 833 132.053298950195 6451.77587890625 0.43 | |
| 834 133.037307739258 324738.65625 21.5 | |
| 835 134.069061279297 18188.61328125 1.2 | |
| 836 139.946014404297 3551.38818359375 0.24 | |
| 837 160.047637939453 14908.2802734375 0.99 | |
| 838 160.048583984375 23262.9453125 1.54 | |
| 839 161.032402038574 5563.55102539062 0.37 | |
| 840 178.058639526367 1510599.6875 100 | |
| 841 182.990447998047 3695.43188476562 0.24 | |
| 842 | |
| 843 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:NA | 422 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:NA |
| 844 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609 | 423 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609 |
| 845 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 | 424 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
| 846 XCMS groupid (grpid): 114 | 425 XCMS groupid (grpid): 114 |
| 847 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 426 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 848 PK$NUM_PEAK: 12 | 427 PK$NUM_PEAK: 12 |
| 849 PK$PEAK: m/z int. rel.int. | 428 PK$PEAK: m/z int. rel.int. |
| 850 103.054681777954 113428.3828125 1.71 | 429 103.054681777954 113428.3828125 1.71 |
| 851 107.049457550049 85312.125 1.28 | 430 107.049457550049 85312.125 1.28 |
| 852 109.065076828003 87073.6279296875 1.31 | 431 109.065076828003 87073.6279296875 1.31 |
| 858 137.059688568115 54420.5151367188 0.82 | 437 137.059688568115 54420.5151367188 0.82 |
| 859 147.043956756592 1662636.09375 25.03 | 438 147.043956756592 1662636.09375 25.03 |
| 860 165.054576873779 3262966.6875 49.12 | 439 165.054576873779 3262966.6875 49.12 |
| 861 182.081039428711 306476.10546875 4.61 | 440 182.081039428711 306476.10546875 4.61 |
| 862 | 441 |
| 863 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:NA | |
| 864 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609 | |
| 865 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 | |
| 866 XCMS groupid (grpid): 114 | |
| 867 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 868 PK$NUM_PEAK: 12 | |
| 869 PK$PEAK: m/z int. rel.int. | |
| 870 103.054681777954 113428.3828125 1.71 | |
| 871 107.049457550049 85312.125 1.28 | |
| 872 109.065076828003 87073.6279296875 1.31 | |
| 873 118.065277099609 100104.348632812 1.51 | |
| 874 119.049367904663 2614291.5625 39.36 | |
| 875 121.06492805481 120164.5390625 1.81 | |
| 876 123.044221878052 4717048.75 71.01 | |
| 877 136.075645446777 6642431.25 100 | |
| 878 137.059688568115 54420.5151367188 0.82 | |
| 879 147.043956756592 1662636.09375 25.03 | |
| 880 165.054576873779 3262966.6875 49.12 | |
| 881 182.081039428711 306476.10546875 4.61 | |
| 882 | |
| 883 RECORD_TITLE: MZ:189.1238 | RT:49.2 | grpid:127 | file:NA | 442 RECORD_TITLE: MZ:189.1238 | RT:49.2 | grpid:127 | file:NA |
| 884 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215 | 443 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215 |
| 885 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402 | 444 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402 |
| 886 XCMS groupid (grpid): 127 | 445 XCMS groupid (grpid): 127 |
| 887 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 446 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 888 PK$NUM_PEAK: 17 | 447 PK$NUM_PEAK: 17 |
| 889 PK$PEAK: m/z int. rel.int. | 448 PK$PEAK: m/z int. rel.int. |
| 890 115.086891174316 12369.7568359375 8.02 | 449 115.086891174316 12369.7568359375 8.02 |
| 891 116.070854187012 90257.0703125 58.5 | 450 116.070854187012 90257.0703125 58.5 |
| 892 118.086570739746 154277.84765625 100 | 451 118.086570739746 154277.84765625 100 |
| 903 189.135848999023 52375.484375 33.95 | 462 189.135848999023 52375.484375 33.95 |
| 904 189.136917114258 98533.8515625 63.87 | 463 189.136917114258 98533.8515625 63.87 |
| 905 189.159866333008 3757.07299804688 2.44 | 464 189.159866333008 3757.07299804688 2.44 |
| 906 207.453216552734 2729.31713867188 1.77 | 465 207.453216552734 2729.31713867188 1.77 |
| 907 | 466 |
| 908 RECORD_TITLE: MZ:189.1238 | RT:49.2 | grpid:127 | file:NA | |
| 909 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215 | |
| 910 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402 | |
| 911 XCMS groupid (grpid): 127 | |
| 912 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 913 PK$NUM_PEAK: 17 | |
| 914 PK$PEAK: m/z int. rel.int. | |
| 915 115.086891174316 12369.7568359375 8.02 | |
| 916 116.070854187012 90257.0703125 58.5 | |
| 917 118.086570739746 154277.84765625 100 | |
| 918 129.102462768555 14589.509765625 9.46 | |
| 919 130.086441040039 16181.8889160156 10.49 | |
| 920 133.097732543945 11934.60546875 7.74 | |
| 921 143.117973327637 42723.603515625 27.69 | |
| 922 144.113090515137 38923.36328125 25.23 | |
| 923 158.09294128418 10558.861328125 6.84 | |
| 924 172.108360290527 9562.09716796875 6.2 | |
| 925 183.845306396484 3709.67822265625 2.4 | |
| 926 189.122100830078 29789.7734375 19.31 | |
| 927 189.123382568359 82376.6484375 53.39 | |
| 928 189.135848999023 52375.484375 33.95 | |
| 929 189.136917114258 98533.8515625 63.87 | |
| 930 189.159866333008 3757.07299804688 2.44 | |
| 931 207.453216552734 2729.31713867188 1.77 | |
| 932 | |
| 933 RECORD_TITLE: MZ:191.0419 | RT:41.7 | grpid:131 | file:NA | 467 RECORD_TITLE: MZ:191.0419 | RT:41.7 | grpid:131 | file:NA |
| 934 MS$FOCUSED_ION: PRECURSOR_M/Z 191.041908724489 | 468 MS$FOCUSED_ION: PRECURSOR_M/Z 191.041908724489 |
| 935 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646 | 469 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646 |
| 936 XCMS groupid (grpid): 131 | 470 XCMS groupid (grpid): 131 |
| 937 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 471 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 938 PK$NUM_PEAK: 11 | 472 PK$NUM_PEAK: 11 |
| 939 PK$PEAK: m/z int. rel.int. | 473 PK$PEAK: m/z int. rel.int. |
| 940 102.055397033691 6061.30029296875 0.19 | 474 102.055397033691 6061.30029296875 0.19 |
| 941 111.853385925293 4386.8701171875 0.14 | 475 111.853385925293 4386.8701171875 0.14 |
| 942 115.874839782715 4441.072265625 0.14 | 476 115.874839782715 4441.072265625 0.14 |
| 947 133.80451965332 5088.212890625 0.16 | 481 133.80451965332 5088.212890625 0.16 |
| 948 173.029708862305 610622 18.98 | 482 173.029708862305 610622 18.98 |
| 949 191.040267944336 3217774.75 100 | 483 191.040267944336 3217774.75 100 |
| 950 191.076446533203 999525 31.06 | 484 191.076446533203 999525 31.06 |
| 951 | 485 |
| 952 RECORD_TITLE: MZ:191.0419 | RT:41.7 | grpid:131 | file:NA | |
| 953 MS$FOCUSED_ION: PRECURSOR_M/Z 191.041908724489 | |
| 954 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646 | |
| 955 XCMS groupid (grpid): 131 | |
| 956 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 957 PK$NUM_PEAK: 11 | |
| 958 PK$PEAK: m/z int. rel.int. | |
| 959 102.055397033691 6061.30029296875 0.19 | |
| 960 111.853385925293 4386.8701171875 0.14 | |
| 961 115.874839782715 4441.072265625 0.14 | |
| 962 116.986557006836 4422.6650390625 0.14 | |
| 963 120.003273010254 7490.83056640625 0.23 | |
| 964 120.065788269043 36437.609375 1.13 | |
| 965 130.024032592773 6415.89990234375 0.2 | |
| 966 133.80451965332 5088.212890625 0.16 | |
| 967 173.029708862305 610622 18.98 | |
| 968 191.040267944336 3217774.75 100 | |
| 969 191.076446533203 999525 31.06 | |
| 970 | |
| 971 RECORD_TITLE: MZ:192.07 | RT:121.8 | grpid:134 | file:NA | 486 RECORD_TITLE: MZ:192.07 | RT:121.8 | grpid:134 | file:NA |
| 972 MS$FOCUSED_ION: PRECURSOR_M/Z 192.070004316993 | 487 MS$FOCUSED_ION: PRECURSOR_M/Z 192.070004316993 |
| 973 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812 | 488 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812 |
| 974 XCMS groupid (grpid): 134 | 489 XCMS groupid (grpid): 134 |
| 975 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 490 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 976 PK$NUM_PEAK: 9 | 491 PK$NUM_PEAK: 9 |
| 977 PK$PEAK: m/z int. rel.int. | 492 PK$PEAK: m/z int. rel.int. |
| 978 102.055397033691 3442.68041992188 4.92 | 493 102.055397033691 3442.68041992188 4.92 |
| 979 104.053359985352 70038.1953125 100 | 494 104.053359985352 70038.1953125 100 |
| 980 133.031921386719 29066.0625 41.5 | 495 133.031921386719 29066.0625 41.5 |
| 983 150.05842590332 24492.08984375 34.97 | 498 150.05842590332 24492.08984375 34.97 |
| 984 171.473907470703 2700.43920898438 3.86 | 499 171.473907470703 2700.43920898438 3.86 |
| 985 181.562118530273 2402.322265625 3.43 | 500 181.562118530273 2402.322265625 3.43 |
| 986 193.007995605469 2239.99389648438 3.2 | 501 193.007995605469 2239.99389648438 3.2 |
| 987 | 502 |
| 988 RECORD_TITLE: MZ:192.07 | RT:121.8 | grpid:134 | file:NA | |
| 989 MS$FOCUSED_ION: PRECURSOR_M/Z 192.070004316993 | |
| 990 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812 | |
| 991 XCMS groupid (grpid): 134 | |
| 992 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 993 PK$NUM_PEAK: 9 | |
| 994 PK$PEAK: m/z int. rel.int. | |
| 995 102.055397033691 3442.68041992188 4.92 | |
| 996 104.053359985352 70038.1953125 100 | |
| 997 133.031921386719 29066.0625 41.5 | |
| 998 144.065444946289 54286.5 77.51 | |
| 999 146.063888549805 4671.99365234375 6.67 | |
| 1000 150.05842590332 24492.08984375 34.97 | |
| 1001 171.473907470703 2700.43920898438 3.86 | |
| 1002 181.562118530273 2402.322265625 3.43 | |
| 1003 193.007995605469 2239.99389648438 3.2 | |
| 1004 | |
| 1005 RECORD_TITLE: MZ:194.034 | RT:45.4 | grpid:136 | file:NA | 503 RECORD_TITLE: MZ:194.034 | RT:45.4 | grpid:136 | file:NA |
| 1006 MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316 | 504 MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316 |
| 1007 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 | 505 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
| 1008 XCMS groupid (grpid): 136 | 506 XCMS groupid (grpid): 136 |
| 1009 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 507 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1010 PK$NUM_PEAK: 7 | 508 PK$NUM_PEAK: 7 |
| 1011 PK$PEAK: m/z int. rel.int. | 509 PK$PEAK: m/z int. rel.int. |
| 1012 103.315864562988 2078.95581054688 57.1 | 510 103.315864562988 2078.95581054688 57.1 |
| 1013 125.504974365234 2372.77172851562 65.17 | 511 125.504974365234 2372.77172851562 65.17 |
| 1014 141.887588500977 2384.751953125 65.5 | 512 141.887588500977 2384.751953125 65.5 |
| 1015 146.027267456055 2972.51196289062 81.64 | 513 146.027267456055 2972.51196289062 81.64 |
| 1016 158.080490112305 2836.72119140625 77.91 | 514 158.080490112305 2836.72119140625 77.91 |
| 1017 158.081451416016 3618.328125 99.38 | 515 158.081451416016 3618.328125 99.38 |
| 1018 194.03254699707 3640.81140136719 100 | 516 194.03254699707 3640.81140136719 100 |
| 1019 | 517 |
| 1020 RECORD_TITLE: MZ:194.034 | RT:45.4 | grpid:136 | file:NA | |
| 1021 MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316 | |
| 1022 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 | |
| 1023 XCMS groupid (grpid): 136 | |
| 1024 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1025 PK$NUM_PEAK: 7 | |
| 1026 PK$PEAK: m/z int. rel.int. | |
| 1027 103.315864562988 2078.95581054688 57.1 | |
| 1028 125.504974365234 2372.77172851562 65.17 | |
| 1029 141.887588500977 2384.751953125 65.5 | |
| 1030 146.027267456055 2972.51196289062 81.64 | |
| 1031 158.080490112305 2836.72119140625 77.91 | |
| 1032 158.081451416016 3618.328125 99.38 | |
| 1033 194.03254699707 3640.81140136719 100 | |
| 1034 | |
| 1035 RECORD_TITLE: MZ:200.039 | RT:43.9 | grpid:143 | file:NA | 518 RECORD_TITLE: MZ:200.039 | RT:43.9 | grpid:143 | file:NA |
| 1036 MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676 | 519 MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676 |
| 1037 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 | 520 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
| 1038 XCMS groupid (grpid): 143 | 521 XCMS groupid (grpid): 143 |
| 1039 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 522 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1040 PK$NUM_PEAK: 16 | 523 PK$NUM_PEAK: 16 |
| 1041 PK$PEAK: m/z int. rel.int. | 524 PK$PEAK: m/z int. rel.int. |
| 1042 112.010238647461 2995.43188476562 0.14 | 525 112.010238647461 2995.43188476562 0.14 |
| 1043 117.042625427246 5699.3125 0.28 | 526 117.042625427246 5699.3125 0.28 |
| 1044 117.987670898438 69695.6328125 3.37 | 527 117.987670898438 69695.6328125 3.37 |
| 1054 182.029487609863 5125.34423828125 0.25 | 537 182.029487609863 5125.34423828125 0.25 |
| 1055 183.013626098633 4026.23034667969 0.19 | 538 183.013626098633 4026.23034667969 0.19 |
| 1056 200.040573120117 2066456.25 100 | 539 200.040573120117 2066456.25 100 |
| 1057 207.421112060547 3210.24487304688 0.16 | 540 207.421112060547 3210.24487304688 0.16 |
| 1058 | 541 |
| 1059 RECORD_TITLE: MZ:200.039 | RT:43.9 | grpid:143 | file:NA | |
| 1060 MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676 | |
| 1061 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 | |
| 1062 XCMS groupid (grpid): 143 | |
| 1063 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1064 PK$NUM_PEAK: 16 | |
| 1065 PK$PEAK: m/z int. rel.int. | |
| 1066 112.010238647461 2995.43188476562 0.14 | |
| 1067 117.042625427246 5699.3125 0.28 | |
| 1068 117.987670898438 69695.6328125 3.37 | |
| 1069 123.095741271973 2928.32397460938 0.14 | |
| 1070 127.032516479492 12711.5666503906 0.62 | |
| 1071 132.053337097168 38099.525390625 1.84 | |
| 1072 140.045013427734 2847.90087890625 0.14 | |
| 1073 140.994979858398 36973.73828125 1.79 | |
| 1074 142.598937988281 2839.74487304688 0.14 | |
| 1075 146.361755371094 2998.41796875 0.15 | |
| 1076 154.03507232666 12881.8227539062 0.62 | |
| 1077 155.018844604492 3944.63305664062 0.19 | |
| 1078 182.029487609863 5125.34423828125 0.25 | |
| 1079 183.013626098633 4026.23034667969 0.19 | |
| 1080 200.040573120117 2066456.25 100 | |
| 1081 207.421112060547 3210.24487304688 0.16 | |
| 1082 | |
| 1083 RECORD_TITLE: MZ:203.139 | RT:72 | grpid:150 | file:NA | 542 RECORD_TITLE: MZ:203.139 | RT:72 | grpid:150 | file:NA |
| 1084 MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186 | 543 MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186 |
| 1085 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432 | 544 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432 |
| 1086 XCMS groupid (grpid): 150 | 545 XCMS groupid (grpid): 150 |
| 1087 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 546 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1088 PK$NUM_PEAK: 18 | 547 PK$NUM_PEAK: 18 |
| 1089 PK$PEAK: m/z int. rel.int. | 548 PK$PEAK: m/z int. rel.int. |
| 1090 116.071062088013 17376.2722167969 5.66 | 549 116.071062088013 17376.2722167969 5.66 |
| 1091 119.019195556641 2770.42236328125 0.9 | 550 119.019195556641 2770.42236328125 0.9 |
| 1092 125.07137298584 5385.11376953125 1.75 | 551 125.07137298584 5385.11376953125 1.75 |
| 1104 203.138000488281 101691.2578125 33.1 | 563 203.138000488281 101691.2578125 33.1 |
| 1105 203.139312744141 47779.91796875 15.55 | 564 203.139312744141 47779.91796875 15.55 |
| 1106 203.152606964111 14545.0900268555 4.73 | 565 203.152606964111 14545.0900268555 4.73 |
| 1107 204.817932128906 6029.38134765625 1.96 | 566 204.817932128906 6029.38134765625 1.96 |
| 1108 | 567 |
| 1109 RECORD_TITLE: MZ:203.139 | RT:72 | grpid:150 | file:NA | |
| 1110 MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186 | |
| 1111 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432 | |
| 1112 XCMS groupid (grpid): 150 | |
| 1113 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1114 PK$NUM_PEAK: 18 | |
| 1115 PK$PEAK: m/z int. rel.int. | |
| 1116 116.071062088013 17376.2722167969 5.66 | |
| 1117 119.019195556641 2770.42236328125 0.9 | |
| 1118 125.07137298584 5385.11376953125 1.75 | |
| 1119 130.085556030273 6449.21875 2.1 | |
| 1120 132.101989746094 307195.5078125 100 | |
| 1121 138.387115478516 2774.31958007812 0.9 | |
| 1122 140.106964111328 22111.2734375 7.2 | |
| 1123 157.133731842041 32506.7156982422 10.58 | |
| 1124 158.128875732422 15111.2236328125 4.92 | |
| 1125 161.096382141113 8885.09887695312 2.89 | |
| 1126 170.445693969727 5899.7978515625 1.92 | |
| 1127 185.7109375 6658.5439453125 2.17 | |
| 1128 203.111068725586 10820.138671875 3.52 | |
| 1129 203.120208740234 7331.47412109375 2.39 | |
| 1130 203.138000488281 101691.2578125 33.1 | |
| 1131 203.139312744141 47779.91796875 15.55 | |
| 1132 203.152606964111 14545.0900268555 4.73 | |
| 1133 204.817932128906 6029.38134765625 1.96 | |
| 1134 | |
| 1135 RECORD_TITLE: MZ:204.1213 | RT:56.8 | grpid:152 | file:NA | 568 RECORD_TITLE: MZ:204.1213 | RT:56.8 | grpid:152 | file:NA |
| 1136 MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641 | 569 MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641 |
| 1137 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 | 570 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 |
| 1138 XCMS groupid (grpid): 152 | 571 XCMS groupid (grpid): 152 |
| 1139 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 572 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1140 PK$NUM_PEAK: 26 | 573 PK$NUM_PEAK: 26 |
| 1141 PK$PEAK: m/z int. rel.int. | 574 PK$PEAK: m/z int. rel.int. |
| 1142 101.024070739746 2549.65844726562 0.09 | 575 101.024070739746 2549.65844726562 0.09 |
| 1143 103.039485931396 24553.8669433594 0.91 | 576 103.039485931396 24553.8669433594 0.91 |
| 1144 103.384941101074 28550.306640625 1.06 | 577 103.384941101074 28550.306640625 1.06 |
| 1164 173.963897705078 26845.693359375 0.99 | 597 173.963897705078 26845.693359375 0.99 |
| 1165 186.075775146484 5275.0185546875 0.2 | 598 186.075775146484 5275.0185546875 0.2 |
| 1166 186.56770324707 2513.05346679688 0.09 | 599 186.56770324707 2513.05346679688 0.09 |
| 1167 204.122978210449 2704658.19140625 100 | 600 204.122978210449 2704658.19140625 100 |
| 1168 | 601 |
| 1169 RECORD_TITLE: MZ:204.1213 | RT:56.8 | grpid:152 | file:NA | |
| 1170 MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641 | |
| 1171 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 | |
| 1172 XCMS groupid (grpid): 152 | |
| 1173 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1174 PK$NUM_PEAK: 26 | |
| 1175 PK$PEAK: m/z int. rel.int. | |
| 1176 101.024070739746 2549.65844726562 0.09 | |
| 1177 103.039485931396 24553.8669433594 0.91 | |
| 1178 103.384941101074 28550.306640625 1.06 | |
| 1179 109.028610229492 9569.9111328125 0.35 | |
| 1180 110.023971557617 2709.85107421875 0.1 | |
| 1181 113.250282287598 26210.8046875 0.97 | |
| 1182 116.070835113525 52000.734375 1.92 | |
| 1183 117.074264526367 58102.080078125 2.15 | |
| 1184 124.08716583252 16795.25390625 0.62 | |
| 1185 125.880447387695 2691.83837890625 0.1 | |
| 1186 126.055076599121 70309.458984375 2.6 | |
| 1187 127.039108276367 3200.34375 0.12 | |
| 1188 129.07829284668 98631.4765625 3.65 | |
| 1189 138.054885864258 117277.533203125 4.34 | |
| 1190 144.065483093262 36720.7529296875 1.36 | |
| 1191 144.090408325195 25124.802734375 0.93 | |
| 1192 144.10181427002 386357.205078125 14.28 | |
| 1193 145.037979125977 4413.583984375 0.16 | |
| 1194 145.049507141113 1174786.94335938 43.44 | |
| 1195 145.060363769531 5262.61083984375 0.19 | |
| 1196 162.07600402832 4448.66784667969 0.16 | |
| 1197 168.065170288086 16167.7177734375 0.6 | |
| 1198 173.963897705078 26845.693359375 0.99 | |
| 1199 186.075775146484 5275.0185546875 0.2 | |
| 1200 186.56770324707 2513.05346679688 0.09 | |
| 1201 204.122978210449 2704658.19140625 100 | |
| 1202 | |
| 1203 RECORD_TITLE: MZ:207.016 | RT:41.8 | grpid:158 | file:NA | 602 RECORD_TITLE: MZ:207.016 | RT:41.8 | grpid:158 | file:NA |
| 1204 MS$FOCUSED_ION: PRECURSOR_M/Z 207.015970241864 | 603 MS$FOCUSED_ION: PRECURSOR_M/Z 207.015970241864 |
| 1205 AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645 | 604 AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645 |
| 1206 XCMS groupid (grpid): 158 | 605 XCMS groupid (grpid): 158 |
| 1207 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 606 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1208 PK$NUM_PEAK: 19 | 607 PK$NUM_PEAK: 19 |
| 1209 PK$PEAK: m/z int. rel.int. | 608 PK$PEAK: m/z int. rel.int. |
| 1210 102.055213928223 14664.9248046875 10.68 | 609 102.055213928223 14664.9248046875 10.68 |
| 1211 104.992233276367 2625.12451171875 1.91 | 610 104.992233276367 2625.12451171875 1.91 |
| 1212 120.00316619873 3167.53002929688 2.31 | 611 120.00316619873 3167.53002929688 2.31 |
| 1225 207.034118652344 5699.5263671875 4.15 | 624 207.034118652344 5699.5263671875 4.15 |
| 1226 207.052230834961 15843.6455078125 11.54 | 625 207.052230834961 15843.6455078125 11.54 |
| 1227 207.098617553711 2919.48852539062 2.13 | 626 207.098617553711 2919.48852539062 2.13 |
| 1228 207.174377441406 3961.92211914062 2.88 | 627 207.174377441406 3961.92211914062 2.88 |
| 1229 | 628 |
| 1230 RECORD_TITLE: MZ:207.016 | RT:41.8 | grpid:158 | file:NA | |
| 1231 MS$FOCUSED_ION: PRECURSOR_M/Z 207.015970241864 | |
| 1232 AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645 | |
| 1233 XCMS groupid (grpid): 158 | |
| 1234 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1235 PK$NUM_PEAK: 19 | |
| 1236 PK$PEAK: m/z int. rel.int. | |
| 1237 102.055213928223 14664.9248046875 10.68 | |
| 1238 104.992233276367 2625.12451171875 1.91 | |
| 1239 120.00316619873 3167.53002929688 2.31 | |
| 1240 120.065727233887 39810.953125 28.98 | |
| 1241 125.714157104492 2278.95581054688 1.66 | |
| 1242 125.770439147949 2413.32568359375 1.76 | |
| 1243 130.049896240234 9405.2138671875 6.85 | |
| 1244 145.133407592773 2169.822265625 1.58 | |
| 1245 146.981994628906 18833.076171875 13.71 | |
| 1246 147.985076904297 12737.52734375 9.27 | |
| 1247 149.018768310547 3681.16088867188 2.68 | |
| 1248 169.94026184082 2372.8515625 1.73 | |
| 1249 177.024551391602 9060.5927734375 6.6 | |
| 1250 189.087188720703 11364.271484375 8.27 | |
| 1251 207.014282226562 137352.125 100 | |
| 1252 207.034118652344 5699.5263671875 4.15 | |
| 1253 207.052230834961 15843.6455078125 11.54 | |
| 1254 207.098617553711 2919.48852539062 2.13 | |
| 1255 207.174377441406 3961.92211914062 2.88 | |
| 1256 | |
| 1257 RECORD_TITLE: MZ:214.0624 | RT:55.4 | grpid:172 | file:NA | 629 RECORD_TITLE: MZ:214.0624 | RT:55.4 | grpid:172 | file:NA |
| 1258 MS$FOCUSED_ION: PRECURSOR_M/Z 214.06240374159 | 630 MS$FOCUSED_ION: PRECURSOR_M/Z 214.06240374159 |
| 1259 AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188 | 631 AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188 |
| 1260 XCMS groupid (grpid): 172 | 632 XCMS groupid (grpid): 172 |
| 1261 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 633 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1262 PK$NUM_PEAK: 14 | 634 PK$NUM_PEAK: 14 |
| 1263 PK$PEAK: m/z int. rel.int. | 635 PK$PEAK: m/z int. rel.int. |
| 1264 100.022003173828 18210.814453125 0.48 | 636 100.022003173828 18210.814453125 0.48 |
| 1265 112.021865844727 105520.359375 2.8 | 637 112.021865844727 105520.359375 2.8 |
| 1266 112.029098510742 4534.3564453125 0.12 | 638 112.029098510742 4534.3564453125 0.12 |
| 1274 170.074661254883 55442.0390625 1.47 | 646 170.074661254883 55442.0390625 1.47 |
| 1275 197.064270019531 5371.8564453125 0.14 | 647 197.064270019531 5371.8564453125 0.14 |
| 1276 197.093124389648 3679.029296875 0.1 | 648 197.093124389648 3679.029296875 0.1 |
| 1277 214.064468383789 307880.84375 8.16 | 649 214.064468383789 307880.84375 8.16 |
| 1278 | 650 |
| 1279 RECORD_TITLE: MZ:214.0624 | RT:55.4 | grpid:172 | file:NA | |
| 1280 MS$FOCUSED_ION: PRECURSOR_M/Z 214.06240374159 | |
| 1281 AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188 | |
| 1282 XCMS groupid (grpid): 172 | |
| 1283 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1284 PK$NUM_PEAK: 14 | |
| 1285 PK$PEAK: m/z int. rel.int. | |
| 1286 100.022003173828 18210.814453125 0.48 | |
| 1287 112.021865844727 105520.359375 2.8 | |
| 1288 112.029098510742 4534.3564453125 0.12 | |
| 1289 127.032608032227 3771385.25 100 | |
| 1290 129.048873901367 9994.1298828125 0.26 | |
| 1291 137.094848632812 40517.13671875 1.07 | |
| 1292 139.032440185547 14027.0390625 0.37 | |
| 1293 141.000549316406 32761.166015625 0.87 | |
| 1294 141.048263549805 10484.16796875 0.28 | |
| 1295 158.02702331543 16497.7265625 0.44 | |
| 1296 170.074661254883 55442.0390625 1.47 | |
| 1297 197.064270019531 5371.8564453125 0.14 | |
| 1298 197.093124389648 3679.029296875 0.1 | |
| 1299 214.064468383789 307880.84375 8.16 | |
| 1300 | |
| 1301 RECORD_TITLE: MZ:218.1384 | RT:89.6 | grpid:180 | file:NA | 651 RECORD_TITLE: MZ:218.1384 | RT:89.6 | grpid:180 | file:NA |
| 1302 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909 | 652 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909 |
| 1303 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 | 653 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 |
| 1304 XCMS groupid (grpid): 180 | 654 XCMS groupid (grpid): 180 |
| 1305 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 655 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1306 PK$NUM_PEAK: 3 | |
| 1307 PK$PEAK: m/z int. rel.int. | |
| 1308 129.054916381836 3304.31335449219 28.7 | |
| 1309 159.066215515137 3238.22875976562 28.13 | |
| 1310 218.138671875 11511.6791992188 100 | |
| 1311 | |
| 1312 RECORD_TITLE: MZ:218.1384 | RT:89.6 | grpid:180 | file:NA | |
| 1313 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909 | |
| 1314 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 | |
| 1315 XCMS groupid (grpid): 180 | |
| 1316 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1317 PK$NUM_PEAK: 3 | 656 PK$NUM_PEAK: 3 |
| 1318 PK$PEAK: m/z int. rel.int. | 657 PK$PEAK: m/z int. rel.int. |
| 1319 129.054916381836 3304.31335449219 28.7 | 658 129.054916381836 3304.31335449219 28.7 |
| 1320 159.066215515137 3238.22875976562 28.13 | 659 159.066215515137 3238.22875976562 28.13 |
| 1321 218.138671875 11511.6791992188 100 | 660 218.138671875 11511.6791992188 100 |
| 1322 | 661 |
| 1323 RECORD_TITLE: MZ:219.1345 | RT:84.2 | grpid:182 | file:NA | 662 RECORD_TITLE: MZ:219.1345 | RT:84.2 | grpid:182 | file:NA |
| 1324 MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256 | 663 MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256 |
| 1325 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 | 664 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
| 1326 XCMS groupid (grpid): 182 | 665 XCMS groupid (grpid): 182 |
| 1327 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 666 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1328 PK$NUM_PEAK: 23 | 667 PK$NUM_PEAK: 23 |
| 1329 PK$PEAK: m/z int. rel.int. | 668 PK$PEAK: m/z int. rel.int. |
| 1330 105.063270568848 4203.001953125 0.19 | 669 105.063270568848 4203.001953125 0.19 |
| 1331 110.096893310547 4522.54443359375 0.21 | 670 110.096893310547 4522.54443359375 0.21 |
| 1332 112.11270904541 5338.60205078125 0.24 | 671 112.11270904541 5338.60205078125 0.24 |
| 1349 203.142929077148 100537.1796875 4.59 | 688 203.142929077148 100537.1796875 4.59 |
| 1350 219.133995056152 205882.671875 9.4 | 689 219.133995056152 205882.671875 9.4 |
| 1351 219.17414855957 312209.53125 14.26 | 690 219.17414855957 312209.53125 14.26 |
| 1352 222.249847412109 3721.74389648438 0.17 | 691 222.249847412109 3721.74389648438 0.17 |
| 1353 | 692 |
| 1354 RECORD_TITLE: MZ:219.1345 | RT:84.2 | grpid:182 | file:NA | |
| 1355 MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256 | |
| 1356 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 | |
| 1357 XCMS groupid (grpid): 182 | |
| 1358 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1359 PK$NUM_PEAK: 23 | |
| 1360 PK$PEAK: m/z int. rel.int. | |
| 1361 105.063270568848 4203.001953125 0.19 | |
| 1362 110.096893310547 4522.54443359375 0.21 | |
| 1363 112.11270904541 5338.60205078125 0.24 | |
| 1364 116.986259460449 5649.759765625 0.26 | |
| 1365 117.065921783447 4423.58276367188 0.2 | |
| 1366 119.085418701172 4587.7412109375 0.21 | |
| 1367 121.101333618164 5698.80517578125 0.26 | |
| 1368 126.091411590576 18157.0063476562 0.83 | |
| 1369 128.10718536377 111406.86328125 5.09 | |
| 1370 132.101951599121 2189822.5 100 | |
| 1371 133.101219177246 5414.54345703125 0.25 | |
| 1372 155.117767333984 24587.1943359375 1.12 | |
| 1373 161.132385253906 6279.27978515625 0.29 | |
| 1374 172.096343994141 31113.580078125 1.42 | |
| 1375 172.097229003906 28655.04296875 1.31 | |
| 1376 173.12841796875 984785.375 44.97 | |
| 1377 180.904510498047 3674.49365234375 0.17 | |
| 1378 201.123176574707 136627.3984375 6.24 | |
| 1379 202.754135131836 3789.76586914062 0.17 | |
| 1380 203.142929077148 100537.1796875 4.59 | |
| 1381 219.133995056152 205882.671875 9.4 | |
| 1382 219.17414855957 312209.53125 14.26 | |
| 1383 222.249847412109 3721.74389648438 0.17 | |
| 1384 | |
| 1385 RECORD_TITLE: MZ:227.1131 | RT:46.9 | grpid:199 | file:NA | 693 RECORD_TITLE: MZ:227.1131 | RT:46.9 | grpid:199 | file:NA |
| 1386 MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597 | 694 MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597 |
| 1387 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273 | 695 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273 |
| 1388 XCMS groupid (grpid): 199 | 696 XCMS groupid (grpid): 199 |
| 1389 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 697 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1390 PK$NUM_PEAK: 50 | 698 PK$NUM_PEAK: 50 |
| 1391 PK$PEAK: m/z int. rel.int. | 699 PK$PEAK: m/z int. rel.int. |
| 1392 109.063594818115 4099.17810058594 0.09 | 700 109.063594818115 4099.17810058594 0.09 |
| 1393 110.071586608887 4606571.125 100 | 701 110.071586608887 4606571.125 100 |
| 1394 111.055355072021 16824.1384277344 0.37 | 702 111.055355072021 16824.1384277344 0.37 |
| 1438 224.923370361328 3780.64306640625 0.08 | 746 224.923370361328 3780.64306640625 0.08 |
| 1439 227.097503662109 23334.078125 0.51 | 747 227.097503662109 23334.078125 0.51 |
| 1440 227.113609313965 227937.2578125 4.95 | 748 227.113609313965 227937.2578125 4.95 |
| 1441 227.117202758789 127066.21484375 2.76 | 749 227.117202758789 127066.21484375 2.76 |
| 1442 | 750 |
| 1443 RECORD_TITLE: MZ:227.1131 | RT:46.9 | grpid:199 | file:NA | |
| 1444 MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597 | |
| 1445 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273 | |
| 1446 XCMS groupid (grpid): 199 | |
| 1447 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1448 PK$NUM_PEAK: 50 | |
| 1449 PK$PEAK: m/z int. rel.int. | |
| 1450 109.063594818115 4099.17810058594 0.09 | |
| 1451 110.071586608887 4606571.125 100 | |
| 1452 111.055355072021 16824.1384277344 0.37 | |
| 1453 112.087244033813 31606.4399414062 0.69 | |
| 1454 114.961769104004 4038.513671875 0.09 | |
| 1455 116.062522888184 5434.8310546875 0.12 | |
| 1456 116.070899963379 108820.723754883 2.36 | |
| 1457 120.884796142578 3409.80908203125 0.07 | |
| 1458 122.071460723877 668040.0546875 14.5 | |
| 1459 124.08678817749 5013.32995605469 0.11 | |
| 1460 128.031921386719 62183.078125 1.35 | |
| 1461 134.071258544922 4929.89697265625 0.11 | |
| 1462 136.086967468262 36068.7158203125 0.78 | |
| 1463 138.06615447998 43180.4565429688 0.94 | |
| 1464 139.050079345703 7219.65087890625 0.16 | |
| 1465 139.05094909668 6357.27099609375 0.14 | |
| 1466 145.14469909668 3823.6279296875 0.08 | |
| 1467 146.07105255127 77607.84375 1.68 | |
| 1468 147.054962158203 5208.69189453125 0.11 | |
| 1469 148.086982727051 6629.76416015625 0.14 | |
| 1470 150.785430908203 5283.994140625 0.11 | |
| 1471 152.081787109375 224660.015625 4.88 | |
| 1472 153.128067016602 3270.22680664062 0.07 | |
| 1473 154.060882568359 5990.9248046875 0.13 | |
| 1474 156.076755523682 1901705.28125 41.28 | |
| 1475 159.049118041992 4586.6982421875 0.1 | |
| 1476 163.965179443359 4605.9501953125 0.1 | |
| 1477 164.081802368164 596054.265625 12.94 | |
| 1478 164.141479492188 5804.94580078125 0.13 | |
| 1479 166.061492919922 7163.70751953125 0.16 | |
| 1480 166.096435546875 3583.4150390625 0.08 | |
| 1481 166.09748840332 7788.17895507812 0.17 | |
| 1482 178.063537597656 5560.33203125 0.12 | |
| 1483 180.076679229736 171533.73828125 3.72 | |
| 1484 181.108413696289 421327.8359375 9.15 | |
| 1485 182.090789794922 6439.70166015625 0.14 | |
| 1486 182.092300415039 18926.6875 0.41 | |
| 1487 185.092224121094 28311.791015625 0.61 | |
| 1488 185.227569580078 5673.0751953125 0.12 | |
| 1489 192.076854705811 105337.634765625 2.29 | |
| 1490 198.087059020996 60026.3125 1.3 | |
| 1491 198.102767944336 5951.31640625 0.13 | |
| 1492 198.869476318359 3270.02294921875 0.07 | |
| 1493 209.103118896484 71219.1015625 1.55 | |
| 1494 209.104988098145 47095.048828125 1.02 | |
| 1495 210.0871925354 787180.640625 17.09 | |
| 1496 224.923370361328 3780.64306640625 0.08 | |
| 1497 227.097503662109 23334.078125 0.51 | |
| 1498 227.113609313965 227937.2578125 4.95 | |
| 1499 227.117202758789 127066.21484375 2.76 | |
| 1500 | |
| 1501 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:NA | 751 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:NA |
| 1502 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191 | 752 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191 |
| 1503 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 | 753 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
| 1504 XCMS groupid (grpid): 205 | 754 XCMS groupid (grpid): 205 |
| 1505 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 755 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1506 PK$NUM_PEAK: 12 | 756 PK$NUM_PEAK: 12 |
| 1507 PK$PEAK: m/z int. rel.int. | 757 PK$PEAK: m/z int. rel.int. |
| 1508 114.05523109436 66915.3701171875 5.81 | 758 114.05523109436 66915.3701171875 5.81 |
| 1509 114.091661453247 33961.0014648438 2.95 | 759 114.091661453247 33961.0014648438 2.95 |
| 1510 116.070810317993 22184.2001953125 1.93 | 760 116.070810317993 22184.2001953125 1.93 |
| 1516 155.118011474609 11454.3654785156 1 | 766 155.118011474609 11454.3654785156 1 |
| 1517 170.080986022949 42620.857421875 3.7 | 767 170.080986022949 42620.857421875 3.7 |
| 1518 183.112724304199 127935.296875 11.12 | 768 183.112724304199 127935.296875 11.12 |
| 1519 229.154579162598 1150887.0625 100 | 769 229.154579162598 1150887.0625 100 |
| 1520 | 770 |
| 1521 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:NA | |
| 1522 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191 | |
| 1523 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 | |
| 1524 XCMS groupid (grpid): 205 | |
| 1525 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1526 PK$NUM_PEAK: 12 | |
| 1527 PK$PEAK: m/z int. rel.int. | |
| 1528 114.05523109436 66915.3701171875 5.81 | |
| 1529 114.091661453247 33961.0014648438 2.95 | |
| 1530 116.070810317993 22184.2001953125 1.93 | |
| 1531 118.086498260498 101098.829101562 8.78 | |
| 1532 124.075803756714 91827.01171875 7.98 | |
| 1533 126.091516494751 15682.7749023438 1.36 | |
| 1534 138.09118270874 16932.7791748047 1.47 | |
| 1535 142.086242675781 627497.8125 54.52 | |
| 1536 155.118011474609 11454.3654785156 1 | |
| 1537 170.080986022949 42620.857421875 3.7 | |
| 1538 183.112724304199 127935.296875 11.12 | |
| 1539 229.154579162598 1150887.0625 100 | |
| 1540 | |
| 1541 RECORD_TITLE: MZ:230.1402 | RT:116.8 | grpid:206 | file:NA | 771 RECORD_TITLE: MZ:230.1402 | RT:116.8 | grpid:206 | file:NA |
| 1542 MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093 | 772 MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093 |
| 1543 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434 | 773 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434 |
| 1544 XCMS groupid (grpid): 206 | 774 XCMS groupid (grpid): 206 |
| 1545 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 775 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1546 PK$NUM_PEAK: 29 | 776 PK$NUM_PEAK: 29 |
| 1547 PK$PEAK: m/z int. rel.int. | 777 PK$PEAK: m/z int. rel.int. |
| 1548 100.23999786377 2375.47680664062 3.65 | 778 100.23999786377 2375.47680664062 3.65 |
| 1549 103.442092895508 2566.20703125 3.94 | 779 103.442092895508 2566.20703125 3.94 |
| 1550 118.637107849121 2638.11669921875 4.05 | 780 118.637107849121 2638.11669921875 4.05 |
| 1573 230.138221740723 65130.369140625 100 | 803 230.138221740723 65130.369140625 100 |
| 1574 230.155090332031 8631.9453125 13.25 | 804 230.155090332031 8631.9453125 13.25 |
| 1575 230.157638549805 8235.0732421875 12.64 | 805 230.157638549805 8235.0732421875 12.64 |
| 1576 252.623626708984 2589.5390625 3.98 | 806 252.623626708984 2589.5390625 3.98 |
| 1577 | 807 |
| 1578 RECORD_TITLE: MZ:230.1402 | RT:116.8 | grpid:206 | file:NA | |
| 1579 MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093 | |
| 1580 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434 | |
| 1581 XCMS groupid (grpid): 206 | |
| 1582 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1583 PK$NUM_PEAK: 29 | |
| 1584 PK$PEAK: m/z int. rel.int. | |
| 1585 100.23999786377 2375.47680664062 3.65 | |
| 1586 103.442092895508 2566.20703125 3.94 | |
| 1587 118.637107849121 2638.11669921875 4.05 | |
| 1588 133.330627441406 2652.22534179688 4.07 | |
| 1589 134.948608398438 2629.12426757812 4.04 | |
| 1590 139.023971557617 2837.33520507812 4.36 | |
| 1591 144.102348327637 9560.11743164062 14.68 | |
| 1592 154.53678894043 2769.9482421875 4.25 | |
| 1593 155.723358154297 2731.0634765625 4.19 | |
| 1594 157.907409667969 2933.0439453125 4.5 | |
| 1595 166.047752380371 12590.408203125 19.33 | |
| 1596 167.984619140625 2446.177734375 3.76 | |
| 1597 170.596984863281 2782.6201171875 4.27 | |
| 1598 170.705688476562 2597.7197265625 3.99 | |
| 1599 171.065044403076 50429.2275390625 77.43 | |
| 1600 175.505096435547 2865.88891601562 4.4 | |
| 1601 175.522003173828 2354.20971679688 3.61 | |
| 1602 184.334548950195 2978.513671875 4.57 | |
| 1603 198.879165649414 3006.13061523438 4.62 | |
| 1604 199.904586791992 2728.13745117188 4.19 | |
| 1605 204.917419433594 2715.51708984375 4.17 | |
| 1606 224.660781860352 2611.29052734375 4.01 | |
| 1607 230.046417236328 4664.95068359375 7.16 | |
| 1608 230.048034667969 3023.58984375 4.64 | |
| 1609 230.074829101562 3314.45288085938 5.09 | |
| 1610 230.138221740723 65130.369140625 100 | |
| 1611 230.155090332031 8631.9453125 13.25 | |
| 1612 230.157638549805 8235.0732421875 12.64 | |
| 1613 252.623626708984 2589.5390625 3.98 | |
| 1614 | |
| 1615 RECORD_TITLE: MZ:231.1694 | RT:130.8 | grpid:209 | file:NA | 808 RECORD_TITLE: MZ:231.1694 | RT:130.8 | grpid:209 | file:NA |
| 1616 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829 | 809 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829 |
| 1617 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 | 810 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
| 1618 XCMS groupid (grpid): 209 | 811 XCMS groupid (grpid): 209 |
| 1619 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 812 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1620 PK$NUM_PEAK: 10 | 813 PK$NUM_PEAK: 10 |
| 1621 PK$PEAK: m/z int. rel.int. | 814 PK$PEAK: m/z int. rel.int. |
| 1622 111.466903686523 3197.19702148438 12.37 | 815 111.466903686523 3197.19702148438 12.37 |
| 1623 116.07112121582 3271.9736328125 12.66 | 816 116.07112121582 3271.9736328125 12.66 |
| 1624 116.427024841309 2544.30590820312 9.85 | 817 116.427024841309 2544.30590820312 9.85 |
| 1628 179.655456542969 2593.84716796875 10.04 | 821 179.655456542969 2593.84716796875 10.04 |
| 1629 185.16487121582 8175.68310546875 31.64 | 822 185.16487121582 8175.68310546875 31.64 |
| 1630 231.170913696289 13019.9536132812 50.38 | 823 231.170913696289 13019.9536132812 50.38 |
| 1631 242.216293334961 3109.39599609375 12.03 | 824 242.216293334961 3109.39599609375 12.03 |
| 1632 | 825 |
| 1633 RECORD_TITLE: MZ:231.1694 | RT:130.8 | grpid:209 | file:NA | |
| 1634 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829 | |
| 1635 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 | |
| 1636 XCMS groupid (grpid): 209 | |
| 1637 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1638 PK$NUM_PEAK: 10 | |
| 1639 PK$PEAK: m/z int. rel.int. | |
| 1640 111.466903686523 3197.19702148438 12.37 | |
| 1641 116.07112121582 3271.9736328125 12.66 | |
| 1642 116.427024841309 2544.30590820312 9.85 | |
| 1643 118.086345672607 25840.970703125 100 | |
| 1644 132.357925415039 2541.77392578125 9.84 | |
| 1645 134.190277099609 2779.22607421875 10.76 | |
| 1646 179.655456542969 2593.84716796875 10.04 | |
| 1647 185.16487121582 8175.68310546875 31.64 | |
| 1648 231.170913696289 13019.9536132812 50.38 | |
| 1649 242.216293334961 3109.39599609375 12.03 | |
| 1650 | |
| 1651 RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:NA | 826 RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:NA |
| 1652 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464 | 827 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464 |
| 1653 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 | 828 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
| 1654 XCMS groupid (grpid): 214 | 829 XCMS groupid (grpid): 214 |
| 1655 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 830 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1656 PK$NUM_PEAK: 10 | 831 PK$NUM_PEAK: 10 |
| 1657 PK$PEAK: m/z int. rel.int. | 832 PK$PEAK: m/z int. rel.int. |
| 1658 101.071445465088 51549.6220703125 22.45 | 833 101.071445465088 51549.6220703125 22.45 |
| 1659 102.055372238159 59090.75 25.73 | 834 102.055372238159 59090.75 25.73 |
| 1660 120.065715789795 229656.7109375 100 | 835 120.065715789795 229656.7109375 100 |
| 1664 152.106994628906 4649.77038574219 2.02 | 839 152.106994628906 4649.77038574219 2.02 |
| 1665 187.144111633301 99860.6418457031 43.48 | 840 187.144111633301 99860.6418457031 43.48 |
| 1666 215.139053344727 44730.51171875 19.48 | 841 215.139053344727 44730.51171875 19.48 |
| 1667 233.149715423584 36734.1889648438 16 | 842 233.149715423584 36734.1889648438 16 |
| 1668 | 843 |
| 1669 RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:NA | |
| 1670 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464 | |
| 1671 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 | |
| 1672 XCMS groupid (grpid): 214 | |
| 1673 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1674 PK$NUM_PEAK: 10 | |
| 1675 PK$PEAK: m/z int. rel.int. | |
| 1676 101.071445465088 51549.6220703125 22.45 | |
| 1677 102.055372238159 59090.75 25.73 | |
| 1678 120.065715789795 229656.7109375 100 | |
| 1679 130.04984664917 47252.4462890625 20.58 | |
| 1680 132.101989746094 29734.6357421875 12.95 | |
| 1681 142.122745513916 19527.9644775391 8.5 | |
| 1682 152.106994628906 4649.77038574219 2.02 | |
| 1683 187.144111633301 99860.6418457031 43.48 | |
| 1684 215.139053344727 44730.51171875 19.48 | |
| 1685 233.149715423584 36734.1889648438 16 | |
| 1686 | |
| 1687 RECORD_TITLE: MZ:244.9534 | RT:41 | grpid:234 | file:NA | 844 RECORD_TITLE: MZ:244.9534 | RT:41 | grpid:234 | file:NA |
| 1688 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716 | 845 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716 |
| 1689 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952 | 846 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952 |
| 1690 XCMS groupid (grpid): 234 | 847 XCMS groupid (grpid): 234 |
| 1691 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 848 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1692 PK$NUM_PEAK: 13 | 849 PK$NUM_PEAK: 13 |
| 1693 PK$PEAK: m/z int. rel.int. | 850 PK$PEAK: m/z int. rel.int. |
| 1694 104.992706298828 378396.8125 100 | 851 104.992706298828 378396.8125 100 |
| 1695 104.999923706055 7185.41552734375 1.9 | 852 104.999923706055 7185.41552734375 1.9 |
| 1696 134.019111633301 14298.7292480469 3.78 | 853 134.019111633301 14298.7292480469 3.78 |
| 1703 186.912002563477 72985.9140625 19.29 | 860 186.912002563477 72985.9140625 19.29 |
| 1704 186.995803833008 4622.62060546875 1.22 | 861 186.995803833008 4622.62060546875 1.22 |
| 1705 204.922698974609 55473.91796875 14.66 | 862 204.922698974609 55473.91796875 14.66 |
| 1706 216.667694091797 2451.92456054688 0.65 | 863 216.667694091797 2451.92456054688 0.65 |
| 1707 | 864 |
| 1708 RECORD_TITLE: MZ:244.9534 | RT:41 | grpid:234 | file:NA | |
| 1709 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716 | |
| 1710 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952 | |
| 1711 XCMS groupid (grpid): 234 | |
| 1712 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1713 PK$NUM_PEAK: 13 | |
| 1714 PK$PEAK: m/z int. rel.int. | |
| 1715 104.992706298828 378396.8125 100 | |
| 1716 104.999923706055 7185.41552734375 1.9 | |
| 1717 134.019111633301 14298.7292480469 3.78 | |
| 1718 146.019165039062 4753.09130859375 1.26 | |
| 1719 162.950744628906 3319.13793945312 0.88 | |
| 1720 164.879348754883 2862.37036132812 0.76 | |
| 1721 171.35090637207 2969.00439453125 0.78 | |
| 1722 183.394256591797 2706.86157226562 0.72 | |
| 1723 186.895538330078 3287.81958007812 0.87 | |
| 1724 186.912002563477 72985.9140625 19.29 | |
| 1725 186.995803833008 4622.62060546875 1.22 | |
| 1726 204.922698974609 55473.91796875 14.66 | |
| 1727 216.667694091797 2451.92456054688 0.65 | |
| 1728 | |
| 1729 RECORD_TITLE: MZ:245.0766 | RT:83.4 | grpid:235 | file:NA | 865 RECORD_TITLE: MZ:245.0766 | RT:83.4 | grpid:235 | file:NA |
| 1730 MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262 | 866 MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262 |
| 1731 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 | 867 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
| 1732 XCMS groupid (grpid): 235 | 868 XCMS groupid (grpid): 235 |
| 1733 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 869 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1734 PK$NUM_PEAK: 12 | 870 PK$NUM_PEAK: 12 |
| 1735 PK$PEAK: m/z int. rel.int. | 871 PK$PEAK: m/z int. rel.int. |
| 1736 102.847290039062 7233.47998046875 0.35 | 872 102.847290039062 7233.47998046875 0.35 |
| 1737 103.039363861084 10410.1005859375 0.51 | 873 103.039363861084 10410.1005859375 0.51 |
| 1738 113.034893035889 2059466.625 100 | 874 113.034893035889 2059466.625 100 |
| 1744 158.082015991211 5685.69775390625 0.28 | 880 158.082015991211 5685.69775390625 0.28 |
| 1745 183.691345214844 6732.88623046875 0.33 | 881 183.691345214844 6732.88623046875 0.33 |
| 1746 245.16056060791 18422.296875 0.89 | 882 245.16056060791 18422.296875 0.89 |
| 1747 269.657653808594 5373.13623046875 0.26 | 883 269.657653808594 5373.13623046875 0.26 |
| 1748 | 884 |
| 1749 RECORD_TITLE: MZ:245.0766 | RT:83.4 | grpid:235 | file:NA | |
| 1750 MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262 | |
| 1751 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 | |
| 1752 XCMS groupid (grpid): 235 | |
| 1753 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1754 PK$NUM_PEAK: 12 | |
| 1755 PK$PEAK: m/z int. rel.int. | |
| 1756 102.847290039062 7233.47998046875 0.35 | |
| 1757 103.039363861084 10410.1005859375 0.51 | |
| 1758 113.034893035889 2059466.625 100 | |
| 1759 115.039226531982 50216.791015625 2.44 | |
| 1760 127.821929931641 6439.4697265625 0.31 | |
| 1761 133.049758911133 65999.25390625 3.2 | |
| 1762 137.333404541016 5343.7626953125 0.26 | |
| 1763 149.172576904297 5415.865234375 0.26 | |
| 1764 158.082015991211 5685.69775390625 0.28 | |
| 1765 183.691345214844 6732.88623046875 0.33 | |
| 1766 245.16056060791 18422.296875 0.89 | |
| 1767 269.657653808594 5373.13623046875 0.26 | |
| 1768 | |
| 1769 RECORD_TITLE: MZ:246.1449 | RT:56 | grpid:238 | file:NA | 885 RECORD_TITLE: MZ:246.1449 | RT:56 | grpid:238 | file:NA |
| 1770 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526 | 886 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526 |
| 1771 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412 | 887 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412 |
| 1772 XCMS groupid (grpid): 238 | 888 XCMS groupid (grpid): 238 |
| 1773 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 889 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1774 PK$NUM_PEAK: 53 | 890 PK$NUM_PEAK: 53 |
| 1775 PK$PEAK: m/z int. rel.int. | 891 PK$PEAK: m/z int. rel.int. |
| 1776 100.075996398926 13907.2685546875 1.41 | 892 100.075996398926 13907.2685546875 1.41 |
| 1777 101.071376800537 78530.54296875 7.97 | 893 101.071376800537 78530.54296875 7.97 |
| 1778 101.107837677002 13021.5205078125 1.32 | 894 101.107837677002 13021.5205078125 1.32 |
| 1825 246.142807006836 36884.310546875 3.74 | 941 246.142807006836 36884.310546875 3.74 |
| 1826 246.180618286133 44683.25 4.53 | 942 246.180618286133 44683.25 4.53 |
| 1827 246.202621459961 5074.580078125 0.51 | 943 246.202621459961 5074.580078125 0.51 |
| 1828 262.875 3137.12841796875 0.32 | 944 262.875 3137.12841796875 0.32 |
| 1829 | 945 |
| 1830 RECORD_TITLE: MZ:246.1449 | RT:56 | grpid:238 | file:NA | |
| 1831 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526 | |
| 1832 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412 | |
| 1833 XCMS groupid (grpid): 238 | |
| 1834 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1835 PK$NUM_PEAK: 53 | |
| 1836 PK$PEAK: m/z int. rel.int. | |
| 1837 100.075996398926 13907.2685546875 1.41 | |
| 1838 101.071376800537 78530.54296875 7.97 | |
| 1839 101.107837677002 13021.5205078125 1.32 | |
| 1840 102.055397033691 10497.6481933594 1.06 | |
| 1841 105.111312866211 3550.4013671875 0.36 | |
| 1842 111.054954528809 3121.79370117188 0.32 | |
| 1843 111.055686950684 4715.681640625 0.48 | |
| 1844 112.087310791016 33766.8388671875 3.43 | |
| 1845 116.070816040039 5874.92333984375 0.6 | |
| 1846 117.074378967285 4742.4384765625 0.48 | |
| 1847 117.102447509766 34718.7734375 3.52 | |
| 1848 118.086410522461 60193.091796875 6.11 | |
| 1849 127.533218383789 3126.70092773438 0.32 | |
| 1850 129.102493286133 114568.01953125 11.62 | |
| 1851 129.113304138184 16345.7446289062 1.66 | |
| 1852 130.049964904785 912668.53125 92.58 | |
| 1853 130.08634185791 160788.3125 16.31 | |
| 1854 130.096298217773 5541.70068359375 0.56 | |
| 1855 137.720031738281 2940.19921875 0.3 | |
| 1856 138.091659545898 3917.65002441406 0.4 | |
| 1857 138.102615356445 11640.97265625 1.18 | |
| 1858 144.558670043945 3019.34936523438 0.31 | |
| 1859 147.076385498047 985817.1875 100 | |
| 1860 147.112739562988 188613.15625 19.13 | |
| 1861 156.300552368164 3563.12890625 0.36 | |
| 1862 158.09228515625 3452.87084960938 0.35 | |
| 1863 162.474563598633 2948.10424804688 0.3 | |
| 1864 171.07585144043 4631.97448730469 0.47 | |
| 1865 172.887664794922 3349.94604492188 0.34 | |
| 1866 173.957077026367 3202.59350585938 0.32 | |
| 1867 175.118850708008 4633.72509765625 0.47 | |
| 1868 175.700073242188 2696.47802734375 0.27 | |
| 1869 177.550689697266 3003.36254882812 0.3 | |
| 1870 182.128219604492 12645.0830078125 1.28 | |
| 1871 183.112503051758 32286.9091796875 3.28 | |
| 1872 184.344192504883 2776.12524414062 0.28 | |
| 1873 190.794464111328 3111.716796875 0.32 | |
| 1874 194.080947875977 3669.88256835938 0.37 | |
| 1875 196.987716674805 2927.38989257812 0.3 | |
| 1876 200.047790527344 22924.576171875 2.33 | |
| 1877 200.048919677734 17289.095703125 1.75 | |
| 1878 211.107360839844 5091.181640625 0.52 | |
| 1879 211.143585205078 4624.5439453125 0.47 | |
| 1880 214.018432617188 2903.59130859375 0.29 | |
| 1881 228.13404083252 31948.7939453125 3.24 | |
| 1882 228.170013427734 5492.08544921875 0.56 | |
| 1883 229.11824798584 28573.6005859375 2.9 | |
| 1884 229.15406036377 6615.69458007812 0.67 | |
| 1885 246.055038452148 17687.0541992188 1.79 | |
| 1886 246.142807006836 36884.310546875 3.74 | |
| 1887 246.180618286133 44683.25 4.53 | |
| 1888 246.202621459961 5074.580078125 0.51 | |
| 1889 262.875 3137.12841796875 0.32 | |
| 1890 | |
| 1891 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:NA | 946 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:NA |
| 1892 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772 | 947 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772 |
| 1893 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 | 948 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
| 1894 XCMS groupid (grpid): 241 | 949 XCMS groupid (grpid): 241 |
| 1895 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 950 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1896 PK$NUM_PEAK: 5 | 951 PK$NUM_PEAK: 5 |
| 1897 PK$PEAK: m/z int. rel.int. | 952 PK$PEAK: m/z int. rel.int. |
| 1898 138.091659545898 13378.8500976562 19.75 | 953 138.091659545898 13378.8500976562 19.75 |
| 1899 155.117858886719 15192.2561035156 22.42 | 954 155.117858886719 15192.2561035156 22.42 |
| 1900 183.112731933594 67754.4091796875 100 | 955 183.112731933594 67754.4091796875 100 |
| 1901 229.118698120117 15290.9594726562 22.57 | 956 229.118698120117 15290.9594726562 22.57 |
| 1902 247.128921508789 19688.0512695312 29.06 | 957 247.128921508789 19688.0512695312 29.06 |
| 1903 | 958 |
| 1904 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:NA | |
| 1905 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772 | |
| 1906 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 | |
| 1907 XCMS groupid (grpid): 241 | |
| 1908 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1909 PK$NUM_PEAK: 5 | |
| 1910 PK$PEAK: m/z int. rel.int. | |
| 1911 138.091659545898 13378.8500976562 19.75 | |
| 1912 155.117858886719 15192.2561035156 22.42 | |
| 1913 183.112731933594 67754.4091796875 100 | |
| 1914 229.118698120117 15290.9594726562 22.57 | |
| 1915 247.128921508789 19688.0512695312 29.06 | |
| 1916 | |
| 1917 RECORD_TITLE: MZ:249.0948 | RT:43.9 | grpid:246 | file:NA | 959 RECORD_TITLE: MZ:249.0948 | RT:43.9 | grpid:246 | file:NA |
| 1918 MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248 | 960 MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248 |
| 1919 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 | 961 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
| 1920 XCMS groupid (grpid): 246 | 962 XCMS groupid (grpid): 246 |
| 1921 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 963 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 1922 PK$NUM_PEAK: 35 | 964 PK$NUM_PEAK: 35 |
| 1923 PK$PEAK: m/z int. rel.int. | 965 PK$PEAK: m/z int. rel.int. |
| 1924 100.417434692383 3012.53979492188 0.28 | 966 100.417434692383 3012.53979492188 0.28 |
| 1925 102.05534362793 5758.3828125 0.54 | 967 102.05534362793 5758.3828125 0.54 |
| 1926 110.071601867676 46123.9765625 4.3 | 968 110.071601867676 46123.9765625 4.3 |
| 1955 203.09098815918 35861.9765625 3.34 | 997 203.09098815918 35861.9765625 3.34 |
| 1956 232.069046020508 176954.0859375 16.5 | 998 232.069046020508 176954.0859375 16.5 |
| 1957 249.095626831055 776862.5 72.44 | 999 249.095626831055 776862.5 72.44 |
| 1958 256.981597900391 3960.87768554688 0.37 | 1000 256.981597900391 3960.87768554688 0.37 |
| 1959 | 1001 |
| 1960 RECORD_TITLE: MZ:249.0948 | RT:43.9 | grpid:246 | file:NA | |
| 1961 MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248 | |
| 1962 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 | |
| 1963 XCMS groupid (grpid): 246 | |
| 1964 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 1965 PK$NUM_PEAK: 35 | |
| 1966 PK$PEAK: m/z int. rel.int. | |
| 1967 100.417434692383 3012.53979492188 0.28 | |
| 1968 102.05534362793 5758.3828125 0.54 | |
| 1969 110.071601867676 46123.9765625 4.3 | |
| 1970 112.037220001221 1072468.03125 100 | |
| 1971 112.310897827148 3575.49780273438 0.33 | |
| 1972 120.003299713135 5156.8876953125 0.48 | |
| 1973 120.065299987793 4691.2216796875 0.44 | |
| 1974 120.065902709961 10654.81640625 0.99 | |
| 1975 125.015129089355 3768.94604492188 0.35 | |
| 1976 130.047882080078 4939.74560546875 0.46 | |
| 1977 130.049179077148 4996.4912109375 0.47 | |
| 1978 132.053268432617 139582.8203125 13.02 | |
| 1979 133.037254333496 29048.3193359375 2.71 | |
| 1980 134.018768310547 11701.443359375 1.09 | |
| 1981 147.712509155273 3520.52807617188 0.33 | |
| 1982 153.063293457031 12238.2700195312 1.14 | |
| 1983 155.546905517578 4072.21923828125 0.38 | |
| 1984 157.506332397461 3476.060546875 0.32 | |
| 1985 160.048057556152 194049.171875 18.09 | |
| 1986 173.029731750488 18022.41015625 1.68 | |
| 1987 177.075286865234 3303.73095703125 0.31 | |
| 1988 178.058631896973 344922.0625 32.16 | |
| 1989 180.905288696289 3644.25463867188 0.34 | |
| 1990 187.095680236816 9869.19897460938 0.92 | |
| 1991 191.040191650391 216094.0078125 20.15 | |
| 1992 191.058059692383 6976.28173828125 0.65 | |
| 1993 191.076469421387 70589.7421875 6.58 | |
| 1994 193.122329711914 6411.677734375 0.6 | |
| 1995 196.547912597656 3137.29174804688 0.29 | |
| 1996 201.074180603027 7072.25317382812 0.66 | |
| 1997 203.089859008789 23535.162109375 2.19 | |
| 1998 203.09098815918 35861.9765625 3.34 | |
| 1999 232.069046020508 176954.0859375 16.5 | |
| 2000 249.095626831055 776862.5 72.44 | |
| 2001 256.981597900391 3960.87768554688 0.37 | |
| 2002 | |
| 2003 RECORD_TITLE: MZ:253.152 | RT:130.8 | grpid:254 | file:NA | 1002 RECORD_TITLE: MZ:253.152 | RT:130.8 | grpid:254 | file:NA |
| 2004 MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701 | 1003 MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701 |
| 2005 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 | 1004 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
| 2006 XCMS groupid (grpid): 254 | 1005 XCMS groupid (grpid): 254 |
| 2007 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1006 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2008 PK$NUM_PEAK: 18 | 1007 PK$NUM_PEAK: 18 |
| 2009 PK$PEAK: m/z int. rel.int. | 1008 PK$PEAK: m/z int. rel.int. |
| 2010 107.091743469238 2954.37670898438 3.72 | 1009 107.091743469238 2954.37670898438 3.72 |
| 2011 107.339874267578 2320.88403320312 2.92 | 1010 107.339874267578 2320.88403320312 2.92 |
| 2012 110.071685791016 35854.03515625 45.17 | 1011 110.071685791016 35854.03515625 45.17 |
| 2024 200.121810913086 2855.59790039062 3.6 | 1023 200.121810913086 2855.59790039062 3.6 |
| 2025 212.793746948242 3007.59448242188 3.79 | 1024 212.793746948242 3007.59448242188 3.79 |
| 2026 235.118865966797 4881.416015625 6.15 | 1025 235.118865966797 4881.416015625 6.15 |
| 2027 253.152229309082 79373.50390625 100 | 1026 253.152229309082 79373.50390625 100 |
| 2028 | 1027 |
| 2029 RECORD_TITLE: MZ:253.152 | RT:130.8 | grpid:254 | file:NA | |
| 2030 MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701 | |
| 2031 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 | |
| 2032 XCMS groupid (grpid): 254 | |
| 2033 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2034 PK$NUM_PEAK: 18 | |
| 2035 PK$PEAK: m/z int. rel.int. | |
| 2036 107.091743469238 2954.37670898438 3.72 | |
| 2037 107.339874267578 2320.88403320312 2.92 | |
| 2038 110.071685791016 35854.03515625 45.17 | |
| 2039 115.528038024902 2485.31811523438 3.13 | |
| 2040 120.081520080566 3132.15551757812 3.95 | |
| 2041 124.155448913574 2436.33129882812 3.07 | |
| 2042 140.068023681641 35309.353515625 44.49 | |
| 2043 141.054458618164 2880.50244140625 3.63 | |
| 2044 153.270446777344 2888.85546875 3.64 | |
| 2045 154.083778381348 21452.6298828125 27.03 | |
| 2046 156.076873779297 3850.58935546875 4.85 | |
| 2047 157.152938842773 2905.64404296875 3.66 | |
| 2048 169.125030517578 2750.21606445312 3.46 | |
| 2049 193.291427612305 2772.30908203125 3.49 | |
| 2050 200.121810913086 2855.59790039062 3.6 | |
| 2051 212.793746948242 3007.59448242188 3.79 | |
| 2052 235.118865966797 4881.416015625 6.15 | |
| 2053 253.152229309082 79373.50390625 100 | |
| 2054 | |
| 2055 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:NA | 1028 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:NA |
| 2056 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855 | 1029 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855 |
| 2057 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 | 1030 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
| 2058 XCMS groupid (grpid): 268 | 1031 XCMS groupid (grpid): 268 |
| 2059 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1032 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2060 PK$NUM_PEAK: 23 | 1033 PK$NUM_PEAK: 23 |
| 2061 PK$PEAK: m/z int. rel.int. | 1034 PK$PEAK: m/z int. rel.int. |
| 2062 101.071380615234 114815.37109375 23.87 | 1035 101.071380615234 114815.37109375 23.87 |
| 2063 101.107915878296 11081.80859375 2.3 | 1036 101.107915878296 11081.80859375 2.3 |
| 2064 102.055484771729 26084.1904296875 5.42 | 1037 102.055484771729 26084.1904296875 5.42 |
| 2081 242.149703979492 437216.94140625 90.89 | 1054 242.149703979492 437216.94140625 90.89 |
| 2082 243.13374710083 59472.890625 12.36 | 1055 243.13374710083 59472.890625 12.36 |
| 2083 260.160194396973 87506.4096679688 18.19 | 1056 260.160194396973 87506.4096679688 18.19 |
| 2084 260.196388244629 21219.4587402344 4.41 | 1057 260.196388244629 21219.4587402344 4.41 |
| 2085 | 1058 |
| 2086 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:NA | |
| 2087 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855 | |
| 2088 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 | |
| 2089 XCMS groupid (grpid): 268 | |
| 2090 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2091 PK$NUM_PEAK: 23 | |
| 2092 PK$PEAK: m/z int. rel.int. | |
| 2093 101.071380615234 114815.37109375 23.87 | |
| 2094 101.107915878296 11081.80859375 2.3 | |
| 2095 102.055484771729 26084.1904296875 5.42 | |
| 2096 129.065994262695 75669.8544921875 15.73 | |
| 2097 129.102333068848 46826.5439453125 9.73 | |
| 2098 130.049961090088 438167.596679688 91.09 | |
| 2099 130.086395263672 37188.6362304688 7.73 | |
| 2100 131.118072509766 62715.0307617188 13.04 | |
| 2101 132.101974487305 132446.850585938 27.53 | |
| 2102 143.117904663086 98170.537109375 20.41 | |
| 2103 147.076370239258 481020.254882812 100 | |
| 2104 147.112670898438 45135.3701171875 9.38 | |
| 2105 157.133472442627 57942.240234375 12.05 | |
| 2106 171.076461791992 5268.70166015625 1.1 | |
| 2107 171.112846374512 20033.158203125 4.16 | |
| 2108 185.128776550293 19734.0703125 4.1 | |
| 2109 196.144348144531 224106.953125 46.59 | |
| 2110 197.128398895264 78605.6645507812 16.34 | |
| 2111 225.123069763184 17221.3359375 3.58 | |
| 2112 242.149703979492 437216.94140625 90.89 | |
| 2113 243.13374710083 59472.890625 12.36 | |
| 2114 260.160194396973 87506.4096679688 18.19 | |
| 2115 260.196388244629 21219.4587402344 4.41 | |
| 2116 | |
| 2117 RECORD_TITLE: MZ:263.1945 | RT:74.3 | grpid:278 | file:NA | 1059 RECORD_TITLE: MZ:263.1945 | RT:74.3 | grpid:278 | file:NA |
| 2118 MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713 | 1060 MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713 |
| 2119 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424 | 1061 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424 |
| 2120 XCMS groupid (grpid): 278 | 1062 XCMS groupid (grpid): 278 |
| 2121 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1063 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2122 PK$NUM_PEAK: 20 | 1064 PK$NUM_PEAK: 20 |
| 2123 PK$PEAK: m/z int. rel.int. | 1065 PK$PEAK: m/z int. rel.int. |
| 2124 102.054862976074 2515.89672851562 17.27 | 1066 102.054862976074 2515.89672851562 17.27 |
| 2125 104.229377746582 2670.97973632812 18.33 | 1067 104.229377746582 2670.97973632812 18.33 |
| 2126 107.425888061523 3018.11962890625 20.72 | 1068 107.425888061523 3018.11962890625 20.72 |
| 2140 181.097015380859 4316.86547851562 29.63 | 1082 181.097015380859 4316.86547851562 29.63 |
| 2141 199.107887268066 14568.2543945312 100 | 1083 199.107887268066 14568.2543945312 100 |
| 2142 215.066757202148 2878.05126953125 19.76 | 1084 215.066757202148 2878.05126953125 19.76 |
| 2143 263.089477539062 2743.9130859375 18.83 | 1085 263.089477539062 2743.9130859375 18.83 |
| 2144 | 1086 |
| 2145 RECORD_TITLE: MZ:263.1945 | RT:74.3 | grpid:278 | file:NA | |
| 2146 MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713 | |
| 2147 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424 | |
| 2148 XCMS groupid (grpid): 278 | |
| 2149 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2150 PK$NUM_PEAK: 20 | |
| 2151 PK$PEAK: m/z int. rel.int. | |
| 2152 102.054862976074 2515.89672851562 17.27 | |
| 2153 104.229377746582 2670.97973632812 18.33 | |
| 2154 107.425888061523 3018.11962890625 20.72 | |
| 2155 115.45637512207 3103.68212890625 21.3 | |
| 2156 125.070919036865 7439.07629394531 51.06 | |
| 2157 126.956985473633 2508.49682617188 17.22 | |
| 2158 132.102081298828 8144.29418945312 55.9 | |
| 2159 142.271881103516 2367.89501953125 16.25 | |
| 2160 143.180847167969 2537.232421875 17.42 | |
| 2161 143.889801025391 2502.43676757812 17.18 | |
| 2162 144.065383911133 4202.63720703125 28.85 | |
| 2163 147.819519042969 3093.35034179688 21.23 | |
| 2164 153.460296630859 2812.95043945312 19.31 | |
| 2165 157.270568847656 2616.5419921875 17.96 | |
| 2166 162.07625579834 5481.19189453125 37.62 | |
| 2167 171.07600402832 5756.02001953125 39.51 | |
| 2168 181.097015380859 4316.86547851562 29.63 | |
| 2169 199.107887268066 14568.2543945312 100 | |
| 2170 215.066757202148 2878.05126953125 19.76 | |
| 2171 263.089477539062 2743.9130859375 18.83 | |
| 2172 | |
| 2173 RECORD_TITLE: MZ:265.0719 | RT:46.2 | grpid:282 | file:NA | 1087 RECORD_TITLE: MZ:265.0719 | RT:46.2 | grpid:282 | file:NA |
| 2174 MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613 | 1088 MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613 |
| 2175 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 | 1089 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
| 2176 XCMS groupid (grpid): 282 | 1090 XCMS groupid (grpid): 282 |
| 2177 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1091 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2178 PK$NUM_PEAK: 26 | 1092 PK$NUM_PEAK: 26 |
| 2179 PK$PEAK: m/z int. rel.int. | 1093 PK$PEAK: m/z int. rel.int. |
| 2180 100.917579650879 5901.88012695312 8.09 | 1094 100.917579650879 5901.88012695312 8.09 |
| 2181 114.893154144287 26118.32421875 35.8 | 1095 114.893154144287 26118.32421875 35.8 |
| 2182 116.069046020508 2184.07983398438 2.99 | 1096 116.069046020508 2184.07983398438 2.99 |
| 2202 207.05184173584 14531.7172851562 19.92 | 1116 207.05184173584 14531.7172851562 19.92 |
| 2203 218.967933654785 9198.8681640625 12.61 | 1117 218.967933654785 9198.8681640625 12.61 |
| 2204 221.051002502441 15606.8374023438 21.39 | 1118 221.051002502441 15606.8374023438 21.39 |
| 2205 265.072769165039 5121.220703125 7.02 | 1119 265.072769165039 5121.220703125 7.02 |
| 2206 | 1120 |
| 2207 RECORD_TITLE: MZ:265.0719 | RT:46.2 | grpid:282 | file:NA | |
| 2208 MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613 | |
| 2209 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 | |
| 2210 XCMS groupid (grpid): 282 | |
| 2211 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2212 PK$NUM_PEAK: 26 | |
| 2213 PK$PEAK: m/z int. rel.int. | |
| 2214 100.917579650879 5901.88012695312 8.09 | |
| 2215 114.893154144287 26118.32421875 35.8 | |
| 2216 116.069046020508 2184.07983398438 2.99 | |
| 2217 120.003452301025 51449.279296875 70.52 | |
| 2218 120.011451721191 4107.23486328125 5.63 | |
| 2219 120.842704772949 2651.08349609375 3.63 | |
| 2220 128.03197479248 6840.337890625 9.38 | |
| 2221 132.053787231445 2915.28295898438 4 | |
| 2222 132.306900024414 2790.7412109375 3.82 | |
| 2223 143.819931030273 2752.82299804688 3.77 | |
| 2224 150.013809204102 3940.181640625 5.4 | |
| 2225 159.014289855957 11402.33984375 15.63 | |
| 2226 164.029335021973 14976.8408203125 20.53 | |
| 2227 168.126541137695 2528.20141601562 3.47 | |
| 2228 177.02466583252 51129.326171875 70.08 | |
| 2229 178.974731445312 4436.08532714844 6.08 | |
| 2230 191.040214538574 42986.630859375 58.92 | |
| 2231 191.076782226562 12744.0219726562 17.47 | |
| 2232 203.040618896484 12391.6337890625 16.98 | |
| 2233 205.05598449707 3205.2880859375 4.39 | |
| 2234 207.014587402344 72961.2890625 100 | |
| 2235 207.033981323242 5734.98291015625 7.86 | |
| 2236 207.05184173584 14531.7172851562 19.92 | |
| 2237 218.967933654785 9198.8681640625 12.61 | |
| 2238 221.051002502441 15606.8374023438 21.39 | |
| 2239 265.072769165039 5121.220703125 7.02 | |
| 2240 | |
| 2241 RECORD_TITLE: MZ:268.9977 | RT:42.4 | grpid:298 | file:NA | 1121 RECORD_TITLE: MZ:268.9977 | RT:42.4 | grpid:298 | file:NA |
| 2242 MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593 | 1122 MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593 |
| 2243 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 | 1123 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
| 2244 XCMS groupid (grpid): 298 | 1124 XCMS groupid (grpid): 298 |
| 2245 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1125 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2246 PK$NUM_PEAK: 24 | 1126 PK$NUM_PEAK: 24 |
| 2247 PK$PEAK: m/z int. rel.int. | 1127 PK$PEAK: m/z int. rel.int. |
| 2248 104.992702484131 2385384.125 100 | 1128 104.992702484131 2385384.125 100 |
| 2249 112.895988464355 53725.052734375 2.25 | 1129 112.895988464355 53725.052734375 2.25 |
| 2250 113.738670349121 3244.43115234375 0.14 | 1130 113.738670349121 3244.43115234375 0.14 |
| 2268 269.085510253906 8565.349609375 0.36 | 1148 269.085510253906 8565.349609375 0.36 |
| 2269 269.111618041992 15797.35546875 0.66 | 1149 269.111618041992 15797.35546875 0.66 |
| 2270 273.454193115234 2715.39135742188 0.11 | 1150 273.454193115234 2715.39135742188 0.11 |
| 2271 276.519256591797 3091.81103515625 0.13 | 1151 276.519256591797 3091.81103515625 0.13 |
| 2272 | 1152 |
| 2273 RECORD_TITLE: MZ:268.9977 | RT:42.4 | grpid:298 | file:NA | |
| 2274 MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593 | |
| 2275 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 | |
| 2276 XCMS groupid (grpid): 298 | |
| 2277 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2278 PK$NUM_PEAK: 24 | |
| 2279 PK$PEAK: m/z int. rel.int. | |
| 2280 104.992702484131 2385384.125 100 | |
| 2281 112.895988464355 53725.052734375 2.25 | |
| 2282 113.738670349121 3244.43115234375 0.14 | |
| 2283 115.773323059082 2838.77758789062 0.12 | |
| 2284 123.003398895264 4121.5126953125 0.17 | |
| 2285 130.049285888672 3339.44555664062 0.14 | |
| 2286 135.772277832031 3055.81420898438 0.13 | |
| 2287 146.019088745117 20828.4692382812 0.87 | |
| 2288 148.2451171875 3183.01879882812 0.13 | |
| 2289 154.949859619141 3207.18774414062 0.13 | |
| 2290 170.042404174805 13054.3935546875 0.55 | |
| 2291 176.162475585938 3204.0498046875 0.13 | |
| 2292 176.406677246094 3311.90942382812 0.14 | |
| 2293 176.992706298828 5391.88793945312 0.23 | |
| 2294 186.912040710449 34291.3681640625 1.44 | |
| 2295 186.995277404785 71035.099609375 2.98 | |
| 2296 192.990707397461 8688.34057617188 0.36 | |
| 2297 204.922706604004 23608.8330078125 0.99 | |
| 2298 252.058502197266 5009.93701171875 0.21 | |
| 2299 269.039306640625 5043.013671875 0.21 | |
| 2300 269.085510253906 8565.349609375 0.36 | |
| 2301 269.111618041992 15797.35546875 0.66 | |
| 2302 273.454193115234 2715.39135742188 0.11 | |
| 2303 276.519256591797 3091.81103515625 0.13 | |
| 2304 | |
| 2305 RECORD_TITLE: MZ:272.1708 | RT:59.1 | grpid:303 | file:NA | 1153 RECORD_TITLE: MZ:272.1708 | RT:59.1 | grpid:303 | file:NA |
| 2306 MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479 | 1154 MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479 |
| 2307 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914 | 1155 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914 |
| 2308 XCMS groupid (grpid): 303 | 1156 XCMS groupid (grpid): 303 |
| 2309 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1157 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2310 PK$NUM_PEAK: 59 | 1158 PK$NUM_PEAK: 59 |
| 2311 PK$PEAK: m/z int. rel.int. | 1159 PK$PEAK: m/z int. rel.int. |
| 2312 100.076238632202 13580.1105957031 1.92 | 1160 100.076238632202 13580.1105957031 1.92 |
| 2313 110.023941040039 4066.50732421875 0.58 | 1161 110.023941040039 4066.50732421875 0.58 |
| 2314 110.07160949707 5794.01782226562 0.82 | 1162 110.07160949707 5794.01782226562 0.82 |
| 2367 255.11735534668 6694.04296875 0.95 | 1215 255.11735534668 6694.04296875 0.95 |
| 2368 255.122634887695 4730.10205078125 0.67 | 1216 255.122634887695 4730.10205078125 0.67 |
| 2369 255.14493560791 197644.3359375 28.01 | 1217 255.14493560791 197644.3359375 28.01 |
| 2370 272.171417236328 705557.640625 100 | 1218 272.171417236328 705557.640625 100 |
| 2371 | 1219 |
| 2372 RECORD_TITLE: MZ:272.1708 | RT:59.1 | grpid:303 | file:NA | |
| 2373 MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479 | |
| 2374 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914 | |
| 2375 XCMS groupid (grpid): 303 | |
| 2376 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2377 PK$NUM_PEAK: 59 | |
| 2378 PK$PEAK: m/z int. rel.int. | |
| 2379 100.076238632202 13580.1105957031 1.92 | |
| 2380 110.023941040039 4066.50732421875 0.58 | |
| 2381 110.07160949707 5794.01782226562 0.82 | |
| 2382 112.087251663208 245527.328125 34.8 | |
| 2383 113.071655273438 4598.30322265625 0.65 | |
| 2384 114.05598449707 3411.90991210938 0.48 | |
| 2385 114.103385925293 3633.01293945312 0.51 | |
| 2386 115.086784362793 29627.4443359375 4.2 | |
| 2387 116.070888519287 380394.5 53.91 | |
| 2388 123.485488891602 3156.89135742188 0.45 | |
| 2389 125.071502685547 6160.11779785156 0.87 | |
| 2390 127.050369262695 6405.94409179688 0.91 | |
| 2391 128.070720672607 6157.55749511719 0.87 | |
| 2392 129.674026489258 3974.34008789062 0.56 | |
| 2393 130.050064086914 8027.97314453125 1.14 | |
| 2394 130.097679138184 16020.3298339844 2.27 | |
| 2395 130.525375366211 2623.5224609375 0.37 | |
| 2396 134.102203369141 2664.96557617188 0.38 | |
| 2397 138.055046081543 6695.54516601562 0.95 | |
| 2398 140.081768035889 38820.794921875 5.5 | |
| 2399 141.258346557617 3243.73388671875 0.46 | |
| 2400 144.065307617188 4190.72900390625 0.59 | |
| 2401 151.123107910156 15358.0568847656 2.18 | |
| 2402 154.034561157227 3980.0673828125 0.56 | |
| 2403 157.108360290527 89400.1806640625 12.67 | |
| 2404 158.092414855957 94847.822265625 13.44 | |
| 2405 167.11833190918 5960.1396484375 0.84 | |
| 2406 168.10139465332 3220.1953125 0.46 | |
| 2407 168.990600585938 9701.21533203125 1.37 | |
| 2408 172.952041625977 5756.025390625 0.82 | |
| 2409 172.985542297363 6796.45141601562 0.96 | |
| 2410 173.092254638672 4668.1748046875 0.66 | |
| 2411 175.118927001953 400606.59375 56.78 | |
| 2412 176.587432861328 2728.27294921875 0.39 | |
| 2413 181.986114501953 14961.6812744141 2.12 | |
| 2414 182.080230712891 3442.48120117188 0.49 | |
| 2415 185.103530883789 4269.2392578125 0.61 | |
| 2416 192.113010406494 11635.4299316406 1.65 | |
| 2417 194.128993988037 14926.5252685547 2.12 | |
| 2418 195.112949371338 83137.09375 11.78 | |
| 2419 196.081298828125 3017.048828125 0.43 | |
| 2420 196.09642791748 30735.1291503906 4.36 | |
| 2421 199.996185302734 3998.71301269531 0.57 | |
| 2422 209.092132568359 3605.17626953125 0.51 | |
| 2423 209.139106750488 5358.55688476562 0.76 | |
| 2424 212.139331817627 5097.08142089844 0.72 | |
| 2425 213.123264312744 223750.30859375 31.71 | |
| 2426 213.143684387207 5190.94213867188 0.74 | |
| 2427 223.013259887695 3245.58422851562 0.46 | |
| 2428 226.118434906006 8015.03002929688 1.14 | |
| 2429 232.815322875977 2904.64306640625 0.41 | |
| 2430 237.134162902832 4934.0205078125 0.7 | |
| 2431 238.117919921875 44665.9409179688 6.33 | |
| 2432 238.11897277832 25840.982421875 3.66 | |
| 2433 254.160995483398 76258.599609375 10.81 | |
| 2434 255.11735534668 6694.04296875 0.95 | |
| 2435 255.122634887695 4730.10205078125 0.67 | |
| 2436 255.14493560791 197644.3359375 28.01 | |
| 2437 272.171417236328 705557.640625 100 | |
| 2438 | |
| 2439 RECORD_TITLE: MZ:274.1757 | RT:93.5 | grpid:306 | file:NA | 1220 RECORD_TITLE: MZ:274.1757 | RT:93.5 | grpid:306 | file:NA |
| 2440 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697 | 1221 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697 |
| 2441 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684 | 1222 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684 |
| 2442 XCMS groupid (grpid): 306 | 1223 XCMS groupid (grpid): 306 |
| 2443 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1224 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2444 PK$NUM_PEAK: 22 | 1225 PK$NUM_PEAK: 22 |
| 2445 PK$PEAK: m/z int. rel.int. | 1226 PK$PEAK: m/z int. rel.int. |
| 2446 101.068878173828 3083.6005859375 2.16 | 1227 101.068878173828 3083.6005859375 2.16 |
| 2447 107.794586181641 2516.4248046875 1.76 | 1228 107.794586181641 2516.4248046875 1.76 |
| 2448 111.12141418457 2919.10546875 2.04 | 1229 111.12141418457 2919.10546875 2.04 |
| 2464 213.804061889648 2904.75952148438 2.03 | 1245 213.804061889648 2904.75952148438 2.03 |
| 2465 240.998413085938 3096.86401367188 2.16 | 1246 240.998413085938 3096.86401367188 2.16 |
| 2466 244.528472900391 3161.3740234375 2.21 | 1247 244.528472900391 3161.3740234375 2.21 |
| 2467 293.943817138672 3003.84594726562 2.1 | 1248 293.943817138672 3003.84594726562 2.1 |
| 2468 | 1249 |
| 2469 RECORD_TITLE: MZ:274.1757 | RT:93.5 | grpid:306 | file:NA | |
| 2470 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697 | |
| 2471 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684 | |
| 2472 XCMS groupid (grpid): 306 | |
| 2473 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2474 PK$NUM_PEAK: 22 | |
| 2475 PK$PEAK: m/z int. rel.int. | |
| 2476 101.068878173828 3083.6005859375 2.16 | |
| 2477 107.794586181641 2516.4248046875 1.76 | |
| 2478 111.12141418457 2919.10546875 2.04 | |
| 2479 115.086799621582 4384.91125488281 3.07 | |
| 2480 118.139419555664 2762.68212890625 1.93 | |
| 2481 134.339370727539 3014.974609375 2.11 | |
| 2482 152.241439819336 2889.55200195312 2.02 | |
| 2483 157.133628845215 143051.913085938 100 | |
| 2484 161.092281341553 102580.513183594 71.71 | |
| 2485 161.105804443359 4702.1435546875 3.29 | |
| 2486 171.14920425415 63965.1669921875 44.71 | |
| 2487 171.16291809082 5722.12744140625 4 | |
| 2488 171.217880249023 2739.57739257812 1.92 | |
| 2489 175.107788085938 28340.4921875 19.81 | |
| 2490 185.128726959229 55430.9189453125 38.75 | |
| 2491 185.144317626953 3739.43701171875 2.61 | |
| 2492 199.144134521484 8823.5625 6.17 | |
| 2493 203.91975402832 2890.12939453125 2.02 | |
| 2494 213.804061889648 2904.75952148438 2.03 | |
| 2495 240.998413085938 3096.86401367188 2.16 | |
| 2496 244.528472900391 3161.3740234375 2.21 | |
| 2497 293.943817138672 3003.84594726562 2.1 | |
| 2498 | |
| 2499 RECORD_TITLE: MZ:277.1029 | RT:34 | grpid:311 | file:NA | 1250 RECORD_TITLE: MZ:277.1029 | RT:34 | grpid:311 | file:NA |
| 2500 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325 | 1251 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325 |
| 2501 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 | 1252 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
| 2502 XCMS groupid (grpid): 311 | 1253 XCMS groupid (grpid): 311 |
| 2503 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1254 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2504 PK$NUM_PEAK: 36 | 1255 PK$NUM_PEAK: 36 |
| 2505 PK$PEAK: m/z int. rel.int. | 1256 PK$PEAK: m/z int. rel.int. |
| 2506 101.117088317871 2863.08325195312 4.34 | 1257 101.117088317871 2863.08325195312 4.34 |
| 2507 102.055328369141 40213.029296875 61.01 | 1258 102.055328369141 40213.029296875 61.01 |
| 2508 103.058689117432 30321.7890625 46 | 1259 103.058689117432 30321.7890625 46 |
| 2538 260.095977783203 11718.8095703125 17.78 | 1289 260.095977783203 11718.8095703125 17.78 |
| 2539 261.079376220703 10932.662109375 16.59 | 1290 261.079376220703 10932.662109375 16.59 |
| 2540 278.105987548828 5054.4541015625 7.67 | 1291 278.105987548828 5054.4541015625 7.67 |
| 2541 296.483093261719 2672.47143554688 4.05 | 1292 296.483093261719 2672.47143554688 4.05 |
| 2542 | 1293 |
| 2543 RECORD_TITLE: MZ:277.1029 | RT:34 | grpid:311 | file:NA | |
| 2544 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325 | |
| 2545 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 | |
| 2546 XCMS groupid (grpid): 311 | |
| 2547 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2548 PK$NUM_PEAK: 36 | |
| 2549 PK$PEAK: m/z int. rel.int. | |
| 2550 101.117088317871 2863.08325195312 4.34 | |
| 2551 102.055328369141 40213.029296875 61.01 | |
| 2552 103.058689117432 30321.7890625 46 | |
| 2553 111.366973876953 2833.31323242188 4.3 | |
| 2554 121.485000610352 2537.43798828125 3.85 | |
| 2555 130.049976348877 64740.119140625 98.22 | |
| 2556 131.053558349609 65911.845703125 100 | |
| 2557 135.140594482422 2774.06518554688 4.21 | |
| 2558 137.712448120117 2819.294921875 4.28 | |
| 2559 142.942428588867 2860.3330078125 4.34 | |
| 2560 145.24836730957 2623.4052734375 3.98 | |
| 2561 148.060188293457 49811.416015625 75.57 | |
| 2562 149.063926696777 48054.1865234375 72.91 | |
| 2563 168.065742492676 7964.74584960938 12.08 | |
| 2564 168.085021972656 3935.74194335938 5.97 | |
| 2565 169.069152832031 19103.474609375 28.98 | |
| 2566 171.077941894531 3176.71948242188 4.82 | |
| 2567 187.943496704102 2877.6943359375 4.37 | |
| 2568 195.076248168945 5258.607421875 7.98 | |
| 2569 196.0625 2881.5732421875 4.37 | |
| 2570 196.079696655273 10778.5263671875 16.35 | |
| 2571 197.063247680664 10964.5751953125 16.64 | |
| 2572 200.51123046875 2897.78002929688 4.4 | |
| 2573 214.070541381836 3659.35961914062 5.55 | |
| 2574 214.089920043945 3769.673828125 5.72 | |
| 2575 215.074676513672 16016.048828125 24.3 | |
| 2576 216.662963867188 3348.08642578125 5.08 | |
| 2577 241.082122802734 18428.041015625 27.96 | |
| 2578 242.085220336914 16946.2666015625 25.71 | |
| 2579 243.068954467773 3263.1953125 4.95 | |
| 2580 259.091766357422 11490.0615234375 17.43 | |
| 2581 260.077758789062 3573.9892578125 5.42 | |
| 2582 260.095977783203 11718.8095703125 17.78 | |
| 2583 261.079376220703 10932.662109375 16.59 | |
| 2584 278.105987548828 5054.4541015625 7.67 | |
| 2585 296.483093261719 2672.47143554688 4.05 | |
| 2586 | |
| 2587 RECORD_TITLE: MZ:279.1033 | RT:63.7 | grpid:313 | file:NA | 1294 RECORD_TITLE: MZ:279.1033 | RT:63.7 | grpid:313 | file:NA |
| 2588 MS$FOCUSED_ION: PRECURSOR_M/Z 279.103270568746 | 1295 MS$FOCUSED_ION: PRECURSOR_M/Z 279.103270568746 |
| 2589 AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916 | 1296 AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916 |
| 2590 XCMS groupid (grpid): 313 | 1297 XCMS groupid (grpid): 313 |
| 2591 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1298 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2592 PK$NUM_PEAK: 27 | 1299 PK$NUM_PEAK: 27 |
| 2593 PK$PEAK: m/z int. rel.int. | 1300 PK$PEAK: m/z int. rel.int. |
| 2594 102.055374145508 99060.15625 12.22 | 1301 102.055374145508 99060.15625 12.22 |
| 2595 104.053268432617 810346.25 100 | 1302 104.053268432617 810346.25 100 |
| 2596 105.037216186523 4860.92724609375 0.6 | 1303 105.037216186523 4860.92724609375 0.6 |
| 2617 186.126800537109 3235.509765625 0.4 | 1324 186.126800537109 3235.509765625 0.4 |
| 2618 216.06852722168 75573.1875 9.33 | 1325 216.06852722168 75573.1875 9.33 |
| 2619 262.074645996094 45437.76171875 5.61 | 1326 262.074645996094 45437.76171875 5.61 |
| 2620 279.099304199219 7316.77685546875 0.9 | 1327 279.099304199219 7316.77685546875 0.9 |
| 2621 | 1328 |
| 2622 RECORD_TITLE: MZ:279.1033 | RT:63.7 | grpid:313 | file:NA | |
| 2623 MS$FOCUSED_ION: PRECURSOR_M/Z 279.103270568746 | |
| 2624 AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916 | |
| 2625 XCMS groupid (grpid): 313 | |
| 2626 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2627 PK$NUM_PEAK: 27 | |
| 2628 PK$PEAK: m/z int. rel.int. | |
| 2629 102.055374145508 99060.15625 12.22 | |
| 2630 104.053268432617 810346.25 100 | |
| 2631 105.037216186523 4860.92724609375 0.6 | |
| 2632 105.119819641113 3536.46728515625 0.44 | |
| 2633 121.028755187988 4230.94873046875 0.52 | |
| 2634 122.060264587402 48331.40625 5.96 | |
| 2635 130.049957275391 166260.296875 20.52 | |
| 2636 130.059768676758 5725.16845703125 0.71 | |
| 2637 131.016021728516 21972.888671875 2.71 | |
| 2638 133.031845092773 643111.375 79.36 | |
| 2639 136.075653076172 6655.1328125 0.82 | |
| 2640 138.59294128418 3106.81518554688 0.38 | |
| 2641 140.033798217773 4807.77783203125 0.59 | |
| 2642 140.070190429688 5408.396484375 0.67 | |
| 2643 142.049545288086 3321.40600585938 0.41 | |
| 2644 147.306976318359 3170.48095703125 0.39 | |
| 2645 149.023406982422 131090.984375 16.18 | |
| 2646 150.058334350586 539588 66.59 | |
| 2647 153.8173828125 2858.638671875 0.35 | |
| 2648 167.081314086914 15029.8408203125 1.85 | |
| 2649 168.065551757812 121723.78125 15.02 | |
| 2650 170.062957763672 31012.787109375 3.83 | |
| 2651 185.091812133789 4823.31982421875 0.6 | |
| 2652 186.126800537109 3235.509765625 0.4 | |
| 2653 216.06852722168 75573.1875 9.33 | |
| 2654 262.074645996094 45437.76171875 5.61 | |
| 2655 279.099304199219 7316.77685546875 0.9 | |
| 2656 | |
| 2657 RECORD_TITLE: MZ:280.0487 | RT:70.5 | grpid:315 | file:NA | 1329 RECORD_TITLE: MZ:280.0487 | RT:70.5 | grpid:315 | file:NA |
| 2658 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343 | 1330 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343 |
| 2659 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 | 1331 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
| 2660 XCMS groupid (grpid): 315 | 1332 XCMS groupid (grpid): 315 |
| 2661 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1333 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2662 PK$NUM_PEAK: 64 | 1334 PK$NUM_PEAK: 64 |
| 2663 PK$PEAK: m/z int. rel.int. | 1335 PK$PEAK: m/z int. rel.int. |
| 2664 116.98596572876 61798.4921875 36.7 | 1336 116.98596572876 61798.4921875 36.7 |
| 2665 120.081001281738 11129.6591796875 6.61 | 1337 120.081001281738 11129.6591796875 6.61 |
| 2666 122.500762939453 2979.67431640625 1.77 | 1338 122.500762939453 2979.67431640625 1.77 |
| 2724 279.905609130859 3107.13793945312 1.85 | 1396 279.905609130859 3107.13793945312 1.85 |
| 2725 280.049163818359 13564.6298828125 8.06 | 1397 280.049163818359 13564.6298828125 8.06 |
| 2726 280.126480102539 3986.17358398438 2.37 | 1398 280.126480102539 3986.17358398438 2.37 |
| 2727 302.081359863281 12904.4560546875 7.66 | 1399 302.081359863281 12904.4560546875 7.66 |
| 2728 | 1400 |
| 2729 RECORD_TITLE: MZ:280.0487 | RT:70.5 | grpid:315 | file:NA | |
| 2730 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343 | |
| 2731 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 | |
| 2732 XCMS groupid (grpid): 315 | |
| 2733 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2734 PK$NUM_PEAK: 64 | |
| 2735 PK$PEAK: m/z int. rel.int. | |
| 2736 116.98596572876 61798.4921875 36.7 | |
| 2737 120.081001281738 11129.6591796875 6.61 | |
| 2738 122.500762939453 2979.67431640625 1.77 | |
| 2739 123.669364929199 2818.08227539062 1.67 | |
| 2740 124.297996520996 2718.25439453125 1.61 | |
| 2741 126.041282653809 2491.48876953125 1.48 | |
| 2742 134.996688842773 50228.63671875 29.83 | |
| 2743 135.49528503418 2877.74267578125 1.71 | |
| 2744 135.777297973633 2776.31372070312 1.65 | |
| 2745 136.076446533203 2825.89599609375 1.68 | |
| 2746 140.002098083496 10751.1904296875 6.39 | |
| 2747 149.023277282715 8917.1533203125 5.3 | |
| 2748 150.026840209961 13717.3823242188 8.15 | |
| 2749 153.006996154785 5331.53100585938 3.17 | |
| 2750 158.012390136719 19069.6362304688 11.33 | |
| 2751 165.993629455566 13241.3037109375 7.86 | |
| 2752 169.017456054688 13469.8449707031 8 | |
| 2753 176.023086547852 3675.767578125 2.18 | |
| 2754 181.017181396484 10685.3251953125 6.35 | |
| 2755 183.033027648926 11589.2138671875 6.88 | |
| 2756 183.073997497559 4341.4931640625 2.58 | |
| 2757 184.004425048828 64257.958984375 38.16 | |
| 2758 187.028060913086 20497.5346679688 12.17 | |
| 2759 189.010116577148 3022.36352539062 1.79 | |
| 2760 192.031799316406 21062.65234375 12.51 | |
| 2761 192.032958984375 60132.24609375 35.71 | |
| 2762 194.048889160156 30368.8994140625 18.04 | |
| 2763 196.004333496094 4326.826171875 2.57 | |
| 2764 197.012634277344 5415.9453125 3.22 | |
| 2765 199.02751159668 3031.81616210938 1.8 | |
| 2766 201.04370880127 17200.8422851562 10.22 | |
| 2767 202.015258789062 14707.4057617188 8.73 | |
| 2768 206.012451171875 10541.4848632812 6.26 | |
| 2769 207.019973754883 17314.962890625 10.28 | |
| 2770 208.028656005859 6188.95556640625 3.68 | |
| 2771 209.879653930664 2802.0390625 1.66 | |
| 2772 210.043609619141 38763.333984375 23.02 | |
| 2773 212.058746337891 31749.2138671875 18.86 | |
| 2774 214.049499511719 3524.46118164062 2.09 | |
| 2775 216.12255859375 3983.77563476562 2.37 | |
| 2776 220.028350830078 27485.8828125 16.32 | |
| 2777 224.022994995117 39214.3447265625 23.29 | |
| 2778 225.031646728516 4745.40576171875 2.82 | |
| 2779 226.31071472168 2903.41137695312 1.72 | |
| 2780 232.589385986328 3353.01708984375 1.99 | |
| 2781 233.060745239258 14478.4443359375 8.6 | |
| 2782 235.027847290039 17812.7006835938 10.58 | |
| 2783 235.075042724609 10675.3815917969 6.34 | |
| 2784 238.038345336914 112116.19140625 66.58 | |
| 2785 242.033256530762 26456.486328125 15.71 | |
| 2786 247.039764404297 10463.0517578125 6.21 | |
| 2787 252.053573608398 3761.64624023438 2.23 | |
| 2788 253.038848876953 11243.70703125 6.68 | |
| 2789 256.048934936523 168380.69140625 100 | |
| 2790 257.906707763672 2842.23803710938 1.69 | |
| 2791 258.058746337891 2875.9072265625 1.71 | |
| 2792 260.416839599609 3550.6279296875 2.11 | |
| 2793 261.0546875 50311.10546875 29.88 | |
| 2794 274.060211181641 10396.4326171875 6.17 | |
| 2795 279.065093994141 38826.17578125 23.06 | |
| 2796 279.905609130859 3107.13793945312 1.85 | |
| 2797 280.049163818359 13564.6298828125 8.06 | |
| 2798 280.126480102539 3986.17358398438 2.37 | |
| 2799 302.081359863281 12904.4560546875 7.66 | |
| 2800 | |
| 2801 RECORD_TITLE: MZ:281.1525 | RT:75 | grpid:320 | file:NA | 1401 RECORD_TITLE: MZ:281.1525 | RT:75 | grpid:320 | file:NA |
| 2802 MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442 | 1402 MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442 |
| 2803 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038 | 1403 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038 |
| 2804 XCMS groupid (grpid): 320 | 1404 XCMS groupid (grpid): 320 |
| 2805 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1405 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2806 PK$NUM_PEAK: 15 | 1406 PK$NUM_PEAK: 15 |
| 2807 PK$PEAK: m/z int. rel.int. | 1407 PK$PEAK: m/z int. rel.int. |
| 2808 101.264610290527 2750.7802734375 0.33 | 1408 101.264610290527 2750.7802734375 0.33 |
| 2809 103.054683685303 29620.525390625 3.51 | 1409 103.054683685303 29620.525390625 3.51 |
| 2810 119.951507568359 2629.16333007812 0.31 | 1410 119.951507568359 2629.16333007812 0.31 |
| 2819 196.631576538086 2650.54321289062 0.31 | 1419 196.631576538086 2650.54321289062 0.31 |
| 2820 221.813919067383 2534.84301757812 0.3 | 1420 221.813919067383 2534.84301757812 0.3 |
| 2821 239.329803466797 2676.6943359375 0.32 | 1421 239.329803466797 2676.6943359375 0.32 |
| 2822 267.996520996094 2868.07666015625 0.34 | 1422 267.996520996094 2868.07666015625 0.34 |
| 2823 | 1423 |
| 2824 RECORD_TITLE: MZ:281.1525 | RT:75 | grpid:320 | file:NA | |
| 2825 MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442 | |
| 2826 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038 | |
| 2827 XCMS groupid (grpid): 320 | |
| 2828 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2829 PK$NUM_PEAK: 15 | |
| 2830 PK$PEAK: m/z int. rel.int. | |
| 2831 101.264610290527 2750.7802734375 0.33 | |
| 2832 103.054683685303 29620.525390625 3.51 | |
| 2833 119.951507568359 2629.16333007812 0.31 | |
| 2834 120.081024169922 843602.5625 100 | |
| 2835 134.044914245605 4878.39013671875 0.58 | |
| 2836 143.130569458008 2861.20629882812 0.34 | |
| 2837 150.797470092773 2805.65991210938 0.33 | |
| 2838 153.656585693359 2774.79541015625 0.33 | |
| 2839 153.720336914062 3543.21435546875 0.42 | |
| 2840 157.364059448242 2556.23803710938 0.3 | |
| 2841 189.584426879883 3025.72802734375 0.36 | |
| 2842 196.631576538086 2650.54321289062 0.31 | |
| 2843 221.813919067383 2534.84301757812 0.3 | |
| 2844 239.329803466797 2676.6943359375 0.32 | |
| 2845 267.996520996094 2868.07666015625 0.34 | |
| 2846 | |
| 2847 RECORD_TITLE: MZ:285.0838 | RT:83.4 | grpid:329 | file:NA | 1424 RECORD_TITLE: MZ:285.0838 | RT:83.4 | grpid:329 | file:NA |
| 2848 MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311 | 1425 MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311 |
| 2849 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 | 1426 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
| 2850 XCMS groupid (grpid): 329 | 1427 XCMS groupid (grpid): 329 |
| 2851 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1428 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2852 PK$NUM_PEAK: 21 | 1429 PK$NUM_PEAK: 21 |
| 2853 PK$PEAK: m/z int. rel.int. | 1430 PK$PEAK: m/z int. rel.int. |
| 2854 102.877166748047 11391.2080078125 0.4 | 1431 102.877166748047 11391.2080078125 0.4 |
| 2855 103.039432525635 42304.3100585938 1.48 | 1432 103.039432525635 42304.3100585938 1.48 |
| 2856 108.379875183105 10036.453125 0.35 | 1433 108.379875183105 10036.453125 0.35 |
| 2871 169.74462890625 11478.4873046875 0.4 | 1448 169.74462890625 11478.4873046875 0.4 |
| 2872 276.099914550781 12241.7314453125 0.43 | 1449 276.099914550781 12241.7314453125 0.43 |
| 2873 283.922821044922 10031.16015625 0.35 | 1450 283.922821044922 10031.16015625 0.35 |
| 2874 301.9716796875 10684.52734375 0.37 | 1451 301.9716796875 10684.52734375 0.37 |
| 2875 | 1452 |
| 2876 RECORD_TITLE: MZ:285.0838 | RT:83.4 | grpid:329 | file:NA | |
| 2877 MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311 | |
| 2878 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 | |
| 2879 XCMS groupid (grpid): 329 | |
| 2880 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2881 PK$NUM_PEAK: 21 | |
| 2882 PK$PEAK: m/z int. rel.int. | |
| 2883 102.877166748047 11391.2080078125 0.4 | |
| 2884 103.039432525635 42304.3100585938 1.48 | |
| 2885 108.379875183105 10036.453125 0.35 | |
| 2886 110.035228729248 128904.1328125 4.5 | |
| 2887 110.071636199951 9775.0302734375 0.34 | |
| 2888 115.03928565979 159300.71484375 5.56 | |
| 2889 115.047416687012 6747.39404296875 0.24 | |
| 2890 116.07063293457 4897.9365234375 0.17 | |
| 2891 128.045761108398 26349.6105957031 0.92 | |
| 2892 133.0107421875 3597.33544921875 0.13 | |
| 2893 133.049610137939 188548.55859375 6.58 | |
| 2894 136.014156341553 235963.36328125 8.23 | |
| 2895 141.1025390625 4594.5947265625 0.16 | |
| 2896 142.105499267578 4813.17431640625 0.17 | |
| 2897 153.040687561035 2867347.8125 100 | |
| 2898 154.024669647217 299269.625 10.44 | |
| 2899 154.037750244141 3651.73815917969 0.13 | |
| 2900 169.74462890625 11478.4873046875 0.4 | |
| 2901 276.099914550781 12241.7314453125 0.43 | |
| 2902 283.922821044922 10031.16015625 0.35 | |
| 2903 301.9716796875 10684.52734375 0.37 | |
| 2904 | |
| 2905 RECORD_TITLE: MZ:287.052 | RT:43.2 | grpid:332 | file:NA | 1453 RECORD_TITLE: MZ:287.052 | RT:43.2 | grpid:332 | file:NA |
| 2906 MS$FOCUSED_ION: PRECURSOR_M/Z 287.052049791825 | 1454 MS$FOCUSED_ION: PRECURSOR_M/Z 287.052049791825 |
| 2907 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192 | 1455 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192 |
| 2908 XCMS groupid (grpid): 332 | 1456 XCMS groupid (grpid): 332 |
| 2909 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1457 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2910 PK$NUM_PEAK: 12 | 1458 PK$NUM_PEAK: 12 |
| 2911 PK$PEAK: m/z int. rel.int. | 1459 PK$PEAK: m/z int. rel.int. |
| 2912 111.116577148438 2635.97485351562 3.74 | 1460 111.116577148438 2635.97485351562 3.74 |
| 2913 113.805793762207 2529.7333984375 3.59 | 1461 113.805793762207 2529.7333984375 3.59 |
| 2914 127.086990356445 3527.62426757812 5 | 1462 127.086990356445 3527.62426757812 5 |
| 2920 230.111846923828 3778.5263671875 5.36 | 1468 230.111846923828 3778.5263671875 5.36 |
| 2921 269.040222167969 2981.3544921875 4.23 | 1469 269.040222167969 2981.3544921875 4.23 |
| 2922 287.050201416016 70541.3828125 100 | 1470 287.050201416016 70541.3828125 100 |
| 2923 304.021636962891 2973.06982421875 4.21 | 1471 304.021636962891 2973.06982421875 4.21 |
| 2924 | 1472 |
| 2925 RECORD_TITLE: MZ:287.052 | RT:43.2 | grpid:332 | file:NA | |
| 2926 MS$FOCUSED_ION: PRECURSOR_M/Z 287.052049791825 | |
| 2927 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192 | |
| 2928 XCMS groupid (grpid): 332 | |
| 2929 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2930 PK$NUM_PEAK: 12 | |
| 2931 PK$PEAK: m/z int. rel.int. | |
| 2932 111.116577148438 2635.97485351562 3.74 | |
| 2933 113.805793762207 2529.7333984375 3.59 | |
| 2934 127.086990356445 3527.62426757812 5 | |
| 2935 160.03483581543 3110.06176757812 4.41 | |
| 2936 176.903930664062 2737.58935546875 3.88 | |
| 2937 194.251007080078 2985.20288085938 4.23 | |
| 2938 200.040542602539 2946.06127929688 4.18 | |
| 2939 214.034713745117 5480.310546875 7.77 | |
| 2940 230.111846923828 3778.5263671875 5.36 | |
| 2941 269.040222167969 2981.3544921875 4.23 | |
| 2942 287.050201416016 70541.3828125 100 | |
| 2943 304.021636962891 2973.06982421875 4.21 | |
| 2944 | |
| 2945 RECORD_TITLE: MZ:292.1947 | RT:44.8 | grpid:346 | file:NA | 1473 RECORD_TITLE: MZ:292.1947 | RT:44.8 | grpid:346 | file:NA |
| 2946 MS$FOCUSED_ION: PRECURSOR_M/Z 292.194651731624 | 1474 MS$FOCUSED_ION: PRECURSOR_M/Z 292.194651731624 |
| 2947 AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376 | 1475 AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376 |
| 2948 XCMS groupid (grpid): 346 | 1476 XCMS groupid (grpid): 346 |
| 2949 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1477 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 2950 PK$NUM_PEAK: 17 | 1478 PK$NUM_PEAK: 17 |
| 2951 PK$PEAK: m/z int. rel.int. | 1479 PK$PEAK: m/z int. rel.int. |
| 2952 112.08748626709 146886.8125 0.82 | 1480 112.08748626709 146886.8125 0.82 |
| 2953 112.094039916992 21488.705078125 0.12 | 1481 112.094039916992 21488.705078125 0.12 |
| 2954 113.071746826172 19570.8203125 0.11 | 1482 113.071746826172 19570.8203125 0.11 |
| 2965 248.061279296875 26782.0078125 0.15 | 1493 248.061279296875 26782.0078125 0.15 |
| 2966 287.312866210938 15858.4033203125 0.09 | 1494 287.312866210938 15858.4033203125 0.09 |
| 2967 303.088562011719 14864.9921875 0.08 | 1495 303.088562011719 14864.9921875 0.08 |
| 2968 309.474395751953 14699.423828125 0.08 | 1496 309.474395751953 14699.423828125 0.08 |
| 2969 | 1497 |
| 2970 RECORD_TITLE: MZ:292.1947 | RT:44.8 | grpid:346 | file:NA | |
| 2971 MS$FOCUSED_ION: PRECURSOR_M/Z 292.194651731624 | |
| 2972 AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376 | |
| 2973 XCMS groupid (grpid): 346 | |
| 2974 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 2975 PK$NUM_PEAK: 17 | |
| 2976 PK$PEAK: m/z int. rel.int. | |
| 2977 112.08748626709 146886.8125 0.82 | |
| 2978 112.094039916992 21488.705078125 0.12 | |
| 2979 113.071746826172 19570.8203125 0.11 | |
| 2980 114.102615356445 20782.029296875 0.12 | |
| 2981 115.087265014648 22572.4765625 0.13 | |
| 2982 116.070877075195 1167010.625 6.51 | |
| 2983 118.086471557617 17936758 100 | |
| 2984 130.088272094727 18935.30078125 0.11 | |
| 2985 130.097534179688 535976.9375 2.99 | |
| 2986 157.108123779297 159862.4375 0.89 | |
| 2987 158.092407226562 499801.9375 2.79 | |
| 2988 173.093551635742 16882.005859375 0.09 | |
| 2989 175.118896484375 6728599.5 37.51 | |
| 2990 248.061279296875 26782.0078125 0.15 | |
| 2991 287.312866210938 15858.4033203125 0.09 | |
| 2992 303.088562011719 14864.9921875 0.08 | |
| 2993 309.474395751953 14699.423828125 0.08 | |
| 2994 | |
| 2995 RECORD_TITLE: MZ:294.1544 | RT:92.7 | grpid:350 | file:NA | 1498 RECORD_TITLE: MZ:294.1544 | RT:92.7 | grpid:350 | file:NA |
| 2996 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209 | 1499 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209 |
| 2997 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 | 1500 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 |
| 2998 XCMS groupid (grpid): 350 | 1501 XCMS groupid (grpid): 350 |
| 2999 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1502 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 3000 PK$NUM_PEAK: 27 | 1503 PK$NUM_PEAK: 27 |
| 3001 PK$PEAK: m/z int. rel.int. | 1504 PK$PEAK: m/z int. rel.int. |
| 3002 100.03960609436 9276.67614746094 2.06 | 1505 100.03960609436 9276.67614746094 2.06 |
| 3003 100.112558364868 5085.96807861328 1.13 | 1506 100.112558364868 5085.96807861328 1.13 |
| 3004 112.039535522461 31905.9140625 7.1 | 1507 112.039535522461 31905.9140625 7.1 |
| 3025 248.149139404297 51439.48828125 11.44 | 1528 248.149139404297 51439.48828125 11.44 |
| 3026 258.133453369141 262517.1796875 58.4 | 1529 258.133453369141 262517.1796875 58.4 |
| 3027 276.143997192383 282184.421875 62.77 | 1530 276.143997192383 282184.421875 62.77 |
| 3028 294.143478393555 9554.22521972656 2.13 | 1531 294.143478393555 9554.22521972656 2.13 |
| 3029 | 1532 |
| 3030 RECORD_TITLE: MZ:294.1544 | RT:92.7 | grpid:350 | file:NA | |
| 3031 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209 | |
| 3032 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 | |
| 3033 XCMS groupid (grpid): 350 | |
| 3034 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 3035 PK$NUM_PEAK: 27 | |
| 3036 PK$PEAK: m/z int. rel.int. | |
| 3037 100.03960609436 9276.67614746094 2.06 | |
| 3038 100.112558364868 5085.96807861328 1.13 | |
| 3039 112.039535522461 31905.9140625 7.1 | |
| 3040 116.10737991333 19017.9599609375 4.23 | |
| 3041 127.039184570312 61312.3046875 13.64 | |
| 3042 128.107173919678 48088.845703125 10.7 | |
| 3043 132.102043151855 81967.8308105469 18.23 | |
| 3044 138.054847717285 10972.2520751953 2.44 | |
| 3045 140.106895446777 12682.8193359375 2.82 | |
| 3046 143.057613372803 45699.3813476562 10.17 | |
| 3047 144.101860046387 65823.060546875 14.64 | |
| 3048 145.049575805664 11691.1761474609 2.6 | |
| 3049 152.107192993164 4579.73913574219 1.02 | |
| 3050 156.065517425537 8963.49682617188 1.99 | |
| 3051 161.068229675293 45802.732421875 10.19 | |
| 3052 164.107097625732 22581.4462890625 5.02 | |
| 3053 168.101871490479 15852.8640136719 3.53 | |
| 3054 170.117382049561 16398.6947021484 3.65 | |
| 3055 182.117725372314 8521.89721679688 1.9 | |
| 3056 194.117515563965 11225.3619384766 2.5 | |
| 3057 210.112678527832 30927.3896484375 6.88 | |
| 3058 212.128120422363 113259.09375 25.19 | |
| 3059 230.138618469238 449533.796875 100 | |
| 3060 248.149139404297 51439.48828125 11.44 | |
| 3061 258.133453369141 262517.1796875 58.4 | |
| 3062 276.143997192383 282184.421875 62.77 | |
| 3063 294.143478393555 9554.22521972656 2.13 | |
| 3064 | |
| 3065 RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:NA | 1533 RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:NA |
| 3066 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131 | 1534 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131 |
| 3067 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 | 1535 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
| 3068 XCMS groupid (grpid): 353 | 1536 XCMS groupid (grpid): 353 |
| 3069 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1537 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 3070 PK$NUM_PEAK: 17 | 1538 PK$NUM_PEAK: 17 |
| 3071 PK$PEAK: m/z int. rel.int. | 1539 PK$PEAK: m/z int. rel.int. |
| 3072 102.055332183838 142006.7578125 1.76 | 1540 102.055332183838 142006.7578125 1.76 |
| 3073 103.047687530518 8375.70458984375 0.1 | 1541 103.047687530518 8375.70458984375 0.1 |
| 3074 103.054668426514 268094.84375 3.32 | 1542 103.054668426514 268094.84375 3.32 |
| 3085 260.092071533203 5487.70556640625 0.07 | 1553 260.092071533203 5487.70556640625 0.07 |
| 3086 277.120513916016 6250.375 0.08 | 1554 277.120513916016 6250.375 0.08 |
| 3087 288.727630615234 5923.0712890625 0.07 | 1555 288.727630615234 5923.0712890625 0.07 |
| 3088 295.128723144531 58788.61328125 0.73 | 1556 295.128723144531 58788.61328125 0.73 |
| 3089 | 1557 |
| 3090 RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:NA | |
| 3091 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131 | |
| 3092 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 | |
| 3093 XCMS groupid (grpid): 353 | |
| 3094 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 3095 PK$NUM_PEAK: 17 | |
| 3096 PK$PEAK: m/z int. rel.int. | |
| 3097 102.055332183838 142006.7578125 1.76 | |
| 3098 103.047687530518 8375.70458984375 0.1 | |
| 3099 103.054668426514 268094.84375 3.32 | |
| 3100 120.080982208252 8079321.5 100 | |
| 3101 130.049942016602 198549.390625 2.46 | |
| 3102 131.049301147461 36250.283203125 0.45 | |
| 3103 138.368667602539 5218.921875 0.06 | |
| 3104 148.060356140137 534186.1875 6.61 | |
| 3105 148.891082763672 5547.021484375 0.07 | |
| 3106 177.852951049805 5688.75244140625 0.07 | |
| 3107 186.091201782227 6964.56787109375 0.09 | |
| 3108 249.123100280762 17289.486328125 0.21 | |
| 3109 256.870849609375 6559.6240234375 0.08 | |
| 3110 260.092071533203 5487.70556640625 0.07 | |
| 3111 277.120513916016 6250.375 0.08 | |
| 3112 288.727630615234 5923.0712890625 0.07 | |
| 3113 295.128723144531 58788.61328125 0.73 | |
| 3114 | |
| 3115 RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:NA | 1558 RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:NA |
| 3116 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644 | 1559 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644 |
| 3117 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 | 1560 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
| 3118 XCMS groupid (grpid): 354 | 1561 XCMS groupid (grpid): 354 |
| 3119 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1562 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 3120 PK$NUM_PEAK: 63 | 1563 PK$NUM_PEAK: 63 |
| 3121 PK$PEAK: m/z int. rel.int. | 1564 PK$PEAK: m/z int. rel.int. |
| 3122 102.501098632812 2634.53149414062 1.65 | 1565 102.501098632812 2634.53149414062 1.65 |
| 3123 103.752471923828 3372.3203125 2.11 | 1566 103.752471923828 3372.3203125 2.11 |
| 3124 104.107429504395 52046.037109375 32.57 | 1567 104.107429504395 52046.037109375 32.57 |
| 3181 298.096527099609 23370.763671875 14.63 | 1624 298.096527099609 23370.763671875 14.63 |
| 3182 298.100677490234 33910.890625 21.22 | 1625 298.100677490234 33910.890625 21.22 |
| 3183 298.133453369141 5547.06982421875 3.47 | 1626 298.133453369141 5547.06982421875 3.47 |
| 3184 298.135314941406 24276.166015625 15.19 | 1627 298.135314941406 24276.166015625 15.19 |
| 3185 | 1628 |
| 3186 RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:NA | |
| 3187 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644 | |
| 3188 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 | |
| 3189 XCMS groupid (grpid): 354 | |
| 3190 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 3191 PK$NUM_PEAK: 63 | |
| 3192 PK$PEAK: m/z int. rel.int. | |
| 3193 102.501098632812 2634.53149414062 1.65 | |
| 3194 103.752471923828 3372.3203125 2.11 | |
| 3195 104.107429504395 52046.037109375 32.57 | |
| 3196 104.779418945312 2619.09838867188 1.64 | |
| 3197 105.110206604004 4535.83447265625 2.84 | |
| 3198 110.071598052979 51516.23046875 32.24 | |
| 3199 115.257781982422 2642.28344726562 1.65 | |
| 3200 116.04727935791 24896.80078125 15.58 | |
| 3201 118.906105041504 2871.60009765625 1.8 | |
| 3202 119.049240112305 42550.78515625 26.63 | |
| 3203 120.003589630127 9061.71264648438 5.67 | |
| 3204 121.065811157227 4205.6630859375 2.63 | |
| 3205 123.053497314453 3491.818359375 2.19 | |
| 3206 124.03678894043 3061.91870117188 1.92 | |
| 3207 124.959274291992 3187.64526367188 1.99 | |
| 3208 128.03190612793 11512.23828125 7.2 | |
| 3209 130.049224853516 2935.35913085938 1.84 | |
| 3210 133.762710571289 3047.94458007812 1.91 | |
| 3211 134.01887512207 106217.15625 66.47 | |
| 3212 136.075775146484 159790.208984375 100 | |
| 3213 136.085235595703 3742.28735351562 2.34 | |
| 3214 137.079330444336 24230.166015625 15.16 | |
| 3215 151.047775268555 36674.7578125 22.95 | |
| 3216 151.083587646484 11767.1416015625 7.36 | |
| 3217 151.084808349609 5592.81689453125 3.5 | |
| 3218 152.031753540039 35819.25 22.42 | |
| 3219 156.077331542969 11290.4443359375 7.07 | |
| 3220 160.036758422852 33066.51953125 20.69 | |
| 3221 164.930152893066 28944.359375 18.11 | |
| 3222 168.170883178711 2864.22802734375 1.79 | |
| 3223 169.058418273926 38966.01171875 24.39 | |
| 3224 169.094543457031 6104.97998046875 3.82 | |
| 3225 169.885345458984 2605.5 1.63 | |
| 3226 170.042297363281 3210.34887695312 2.01 | |
| 3227 170.32341003418 2779.20581054688 1.74 | |
| 3228 177.031875610352 2798.62231445312 1.75 | |
| 3229 178.946014404297 3806.83520507812 2.38 | |
| 3230 180.001739501953 3172.265625 1.99 | |
| 3231 180.903884887695 14926.0913085938 9.34 | |
| 3232 181.108383178711 12241.56640625 7.66 | |
| 3233 191.078903198242 3137.82885742188 1.96 | |
| 3234 196.959823608398 2773.84155273438 1.74 | |
| 3235 197.080413818359 3280.55688476562 2.05 | |
| 3236 209.103637695312 5807.6396484375 3.63 | |
| 3237 211.106033325195 3517.22680664062 2.2 | |
| 3238 229.070083618164 5290.5830078125 3.31 | |
| 3239 229.981872558594 2980.67016601562 1.87 | |
| 3240 233.934051513672 3479.39086914062 2.18 | |
| 3241 235.103302001953 3239.46142578125 2.03 | |
| 3242 238.989120483398 22953.4921875 14.36 | |
| 3243 238.991271972656 14557.9658203125 9.11 | |
| 3244 253.0791015625 5362.046875 3.36 | |
| 3245 263.061492919922 3608.7255859375 2.26 | |
| 3246 274.146240234375 3613.0380859375 2.26 | |
| 3247 280.089813232422 7840.12280273438 4.91 | |
| 3248 280.127960205078 4497.24267578125 2.81 | |
| 3249 281.073699951172 8634.50512695312 5.4 | |
| 3250 297.119445800781 5748.119140625 3.6 | |
| 3251 298.06755065918 7433.56958007812 4.65 | |
| 3252 298.096527099609 23370.763671875 14.63 | |
| 3253 298.100677490234 33910.890625 21.22 | |
| 3254 298.133453369141 5547.06982421875 3.47 | |
| 3255 298.135314941406 24276.166015625 15.19 | |
| 3256 | |
| 3257 RECORD_TITLE: MZ:302.1706 | RT:88.9 | grpid:369 | file:NA | 1629 RECORD_TITLE: MZ:302.1706 | RT:88.9 | grpid:369 | file:NA |
| 3258 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843 | 1630 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843 |
| 3259 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054 | 1631 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054 |
| 3260 XCMS groupid (grpid): 369 | 1632 XCMS groupid (grpid): 369 |
| 3261 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1633 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 3262 PK$NUM_PEAK: 31 | 1634 PK$NUM_PEAK: 31 |
| 3263 PK$PEAK: m/z int. rel.int. | 1635 PK$PEAK: m/z int. rel.int. |
| 3264 106.602005004883 2616.6298828125 0.8 | 1636 106.602005004883 2616.6298828125 0.8 |
| 3265 107.888076782227 2649.7861328125 0.81 | 1637 107.888076782227 2649.7861328125 0.81 |
| 3266 111.092044830322 3689.33081054688 1.12 | 1638 111.092044830322 3689.33081054688 1.12 |
| 3291 213.08731842041 6687.3125 2.03 | 1663 213.08731842041 6687.3125 2.03 |
| 3292 218.32536315918 3366.72143554688 1.02 | 1664 218.32536315918 3366.72143554688 1.02 |
| 3293 269.900512695312 3120.37036132812 0.95 | 1665 269.900512695312 3120.37036132812 0.95 |
| 3294 284.158935546875 3037.86303710938 0.92 | 1666 284.158935546875 3037.86303710938 0.92 |
| 3295 | 1667 |
| 3296 RECORD_TITLE: MZ:302.1706 | RT:88.9 | grpid:369 | file:NA | |
| 3297 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843 | |
| 3298 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054 | |
| 3299 XCMS groupid (grpid): 369 | |
| 3300 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 3301 PK$NUM_PEAK: 31 | |
| 3302 PK$PEAK: m/z int. rel.int. | |
| 3303 106.602005004883 2616.6298828125 0.8 | |
| 3304 107.888076782227 2649.7861328125 0.81 | |
| 3305 111.092044830322 3689.33081054688 1.12 | |
| 3306 111.537490844727 2589.2255859375 0.79 | |
| 3307 114.091567993164 2964.439453125 0.9 | |
| 3308 116.070913314819 328781.30078125 100 | |
| 3309 120.955596923828 2879.787109375 0.88 | |
| 3310 123.994163513184 2919.2646484375 0.89 | |
| 3311 128.070510864258 3172.29931640625 0.96 | |
| 3312 144.715606689453 2890.23486328125 0.88 | |
| 3313 144.969955444336 3509.31982421875 1.07 | |
| 3314 146.728607177734 3216.869140625 0.98 | |
| 3315 157.096328735352 2906.3671875 0.88 | |
| 3316 159.112747192383 50716.41015625 15.43 | |
| 3317 161.510787963867 2920.07788085938 0.89 | |
| 3318 163.092956542969 2640.06762695312 0.8 | |
| 3319 167.081359863281 4142.51013183594 1.26 | |
| 3320 167.082427978516 3902.92211914062 1.19 | |
| 3321 171.07633972168 4355.65686035156 1.32 | |
| 3322 185.092491149902 8787.03210449219 2.67 | |
| 3323 185.409088134766 2896.890625 0.88 | |
| 3324 187.107933044434 20513.3881835938 6.24 | |
| 3325 188.189697265625 3081.72094726562 0.94 | |
| 3326 189.086318969727 22890.203125 6.96 | |
| 3327 203.102596282959 89666.2578125 27.27 | |
| 3328 207.951904296875 2900.83618164062 0.88 | |
| 3329 213.085845947266 4722.02392578125 1.44 | |
| 3330 213.08731842041 6687.3125 2.03 | |
| 3331 218.32536315918 3366.72143554688 1.02 | |
| 3332 269.900512695312 3120.37036132812 0.95 | |
| 3333 284.158935546875 3037.86303710938 0.92 | |
| 3334 | |
| 3335 RECORD_TITLE: MZ:303.1651 | RT:61.4 | grpid:373 | file:NA | 1668 RECORD_TITLE: MZ:303.1651 | RT:61.4 | grpid:373 | file:NA |
| 3336 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144 | 1669 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144 |
| 3337 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 | 1670 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
| 3338 XCMS groupid (grpid): 373 | 1671 XCMS groupid (grpid): 373 |
| 3339 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1672 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 3340 PK$NUM_PEAK: 46 | 1673 PK$NUM_PEAK: 46 |
| 3341 PK$PEAK: m/z int. rel.int. | 1674 PK$PEAK: m/z int. rel.int. |
| 3342 101.071437835693 18061.404296875 14.64 | 1675 101.071437835693 18061.404296875 14.64 |
| 3343 110.023998260498 52000.6274414062 42.15 | 1676 110.023998260498 52000.6274414062 42.15 |
| 3344 110.071678161621 4078.85327148438 3.31 | 1677 110.071678161621 4078.85327148438 3.31 |
| 3384 228.13493347168 14781.4248046875 11.98 | 1717 228.13493347168 14781.4248046875 11.98 |
| 3385 258.145233154297 13773.197265625 11.16 | 1718 258.145233154297 13773.197265625 11.16 |
| 3386 261.076416015625 4368.72607421875 3.54 | 1719 261.076416015625 4368.72607421875 3.54 |
| 3387 285.155242919922 5692.4150390625 4.61 | 1720 285.155242919922 5692.4150390625 4.61 |
| 3388 | 1721 |
| 3389 RECORD_TITLE: MZ:303.1651 | RT:61.4 | grpid:373 | file:NA | |
| 3390 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144 | |
| 3391 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 | |
| 3392 XCMS groupid (grpid): 373 | |
| 3393 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 3394 PK$NUM_PEAK: 46 | |
| 3395 PK$PEAK: m/z int. rel.int. | |
| 3396 101.071437835693 18061.404296875 14.64 | |
| 3397 110.023998260498 52000.6274414062 42.15 | |
| 3398 110.071678161621 4078.85327148438 3.31 | |
| 3399 113.108039855957 4713.57666015625 3.82 | |
| 3400 124.03946685791 13353.3503417969 10.82 | |
| 3401 124.075775146484 4389.90283203125 3.56 | |
| 3402 127.050146102905 6563.51354980469 5.32 | |
| 3403 129.065963745117 4180.9111328125 3.39 | |
| 3404 129.10258102417 12015.9108886719 9.74 | |
| 3405 130.049957275391 123366.5 100 | |
| 3406 131.045059204102 29113.298828125 23.6 | |
| 3407 131.118392944336 12747.1845703125 10.33 | |
| 3408 138.091529846191 16503.9543457031 13.38 | |
| 3409 141.065864562988 13463.4323730469 10.91 | |
| 3410 141.102428436279 25872.9306640625 20.97 | |
| 3411 143.118049621582 114683.799316406 92.96 | |
| 3412 147.076400756836 62051.40625 50.3 | |
| 3413 152.033843994141 5171.01904296875 4.19 | |
| 3414 152.070327758789 4126.0048828125 3.34 | |
| 3415 155.045360565186 6583.79321289062 5.34 | |
| 3416 155.118072509766 7309.53900146484 5.93 | |
| 3417 156.029037475586 113651.671875 92.13 | |
| 3418 157.097305297852 11774.015625 9.54 | |
| 3419 158.092620849609 18440.1302490234 14.95 | |
| 3420 169.06086730957 9058.74169921875 7.34 | |
| 3421 169.234603881836 2946.80346679688 2.39 | |
| 3422 170.044723510742 57504.55078125 46.61 | |
| 3423 171.112854003906 12748.3640136719 10.33 | |
| 3424 172.071979522705 11317.8649902344 9.17 | |
| 3425 173.055679321289 109214.0390625 88.53 | |
| 3426 182.128730773926 32297.4630126953 26.18 | |
| 3427 183.112915039062 74432.189453125 60.33 | |
| 3428 186.087818145752 7772.79504394531 6.3 | |
| 3429 187.071319580078 66795.359375 54.14 | |
| 3430 190.082260131836 98184.53125 79.59 | |
| 3431 199.107223510742 8201.62841796875 6.65 | |
| 3432 200.139831542969 11876.6729736328 9.63 | |
| 3433 204.097839355469 68957.71875 55.9 | |
| 3434 211.107936859131 18790.6638183594 15.23 | |
| 3435 223.107292175293 15609.9038085938 12.65 | |
| 3436 224.080169677734 4738.3037109375 3.84 | |
| 3437 226.79020690918 3202.00537109375 2.6 | |
| 3438 228.13493347168 14781.4248046875 11.98 | |
| 3439 258.145233154297 13773.197265625 11.16 | |
| 3440 261.076416015625 4368.72607421875 3.54 | |
| 3441 285.155242919922 5692.4150390625 4.61 | |
| 3442 | |
| 3443 RECORD_TITLE: MZ:306.1653 | RT:60.6 | grpid:379 | file:NA | 1722 RECORD_TITLE: MZ:306.1653 | RT:60.6 | grpid:379 | file:NA |
| 3444 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271 | 1723 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271 |
| 3445 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 | 1724 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
| 3446 XCMS groupid (grpid): 379 | 1725 XCMS groupid (grpid): 379 |
| 3447 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1726 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 3448 PK$NUM_PEAK: 39 | 1727 PK$NUM_PEAK: 39 |
| 3449 PK$PEAK: m/z int. rel.int. | 1728 PK$PEAK: m/z int. rel.int. |
| 3450 102.055488586426 3576.6201171875 2.29 | 1729 102.055488586426 3576.6201171875 2.29 |
| 3451 106.050338745117 60478.6015625 38.68 | 1730 106.050338745117 60478.6015625 38.68 |
| 3452 112.64949798584 2889.20166015625 1.85 | 1731 112.64949798584 2889.20166015625 1.85 |
| 3485 276.966583251953 3468.1474609375 2.22 | 1764 276.966583251953 3468.1474609375 2.22 |
| 3486 304.058044433594 3342.54663085938 2.14 | 1765 304.058044433594 3342.54663085938 2.14 |
| 3487 304.39501953125 3399.11840820312 2.17 | 1766 304.39501953125 3399.11840820312 2.17 |
| 3488 309.902038574219 3108.3212890625 1.99 | 1767 309.902038574219 3108.3212890625 1.99 |
| 3489 | 1768 |
| 3490 RECORD_TITLE: MZ:306.1653 | RT:60.6 | grpid:379 | file:NA | |
| 3491 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271 | |
| 3492 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 | |
| 3493 XCMS groupid (grpid): 379 | |
| 3494 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 3495 PK$NUM_PEAK: 39 | |
| 3496 PK$PEAK: m/z int. rel.int. | |
| 3497 102.055488586426 3576.6201171875 2.29 | |
| 3498 106.050338745117 60478.6015625 38.68 | |
| 3499 112.64949798584 2889.20166015625 1.85 | |
| 3500 114.09162902832 24265.951171875 15.52 | |
| 3501 116.034889221191 3464.34204101562 2.22 | |
| 3502 116.070892333984 42441.279296875 27.14 | |
| 3503 118.086521148682 12694.5551757812 8.12 | |
| 3504 120.065841674805 5843.3857421875 3.74 | |
| 3505 125.10701751709 6236.45361328125 3.99 | |
| 3506 125.107727050781 4460.64892578125 2.85 | |
| 3507 143.08162689209 16575.1611328125 10.6 | |
| 3508 145.061111450195 4047.91162109375 2.59 | |
| 3509 155.118011474609 5382.689453125 3.44 | |
| 3510 155.11897277832 3734.548828125 2.39 | |
| 3511 157.060935974121 24250.25 15.51 | |
| 3512 159.112808227539 156353.765625 100 | |
| 3513 159.113739013672 3697.47241210938 2.36 | |
| 3514 161.092155456543 34923.1943359375 22.34 | |
| 3515 166.177749633789 2888.244140625 1.85 | |
| 3516 171.077407836914 4816.36328125 3.08 | |
| 3517 173.128448486328 89239.515625 57.08 | |
| 3518 175.071128845215 43445.947265625 27.79 | |
| 3519 183.112617492676 4955.513671875 3.17 | |
| 3520 187.107650756836 12120.2392578125 7.75 | |
| 3521 189.087104797363 19462.6240234375 12.45 | |
| 3522 193.081977844238 92993.50390625 59.48 | |
| 3523 198.921890258789 3008.00170898438 1.92 | |
| 3524 201.123252868652 39084.212890625 25 | |
| 3525 202.244415283203 3381.41357421875 2.16 | |
| 3526 205.11808013916 20551.8833007812 13.14 | |
| 3527 207.097396850586 3845.00024414062 2.46 | |
| 3528 208.270767211914 3350.55541992188 2.14 | |
| 3529 219.135238647461 3163.32836914062 2.02 | |
| 3530 255.378860473633 3034.83129882812 1.94 | |
| 3531 270.143188476562 3606.33642578125 2.31 | |
| 3532 276.966583251953 3468.1474609375 2.22 | |
| 3533 304.058044433594 3342.54663085938 2.14 | |
| 3534 304.39501953125 3399.11840820312 2.17 | |
| 3535 309.902038574219 3108.3212890625 1.99 | |
| 3536 | |
| 3537 RECORD_TITLE: MZ:307.0652 | RT:83.4 | grpid:381 | file:NA | 1769 RECORD_TITLE: MZ:307.0652 | RT:83.4 | grpid:381 | file:NA |
| 3538 MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812 | 1770 MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812 |
| 3539 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 | 1771 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
| 3540 XCMS groupid (grpid): 381 | 1772 XCMS groupid (grpid): 381 |
| 3541 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1773 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 3542 PK$NUM_PEAK: 14 | 1774 PK$NUM_PEAK: 14 |
| 3543 PK$PEAK: m/z int. rel.int. | 1775 PK$PEAK: m/z int. rel.int. |
| 3544 118.766929626465 2792.95947265625 0.21 | 1776 118.766929626465 2792.95947265625 0.21 |
| 3545 133.049362182617 4987.00708007812 0.38 | 1777 133.049362182617 4987.00708007812 0.38 |
| 3546 155.031463623047 6253.12939453125 0.48 | 1778 155.031463623047 6253.12939453125 0.48 |
| 3554 194.809097290039 2825.58129882812 0.22 | 1786 194.809097290039 2825.58129882812 0.22 |
| 3555 216.04899597168 19431.1591796875 1.49 | 1787 216.04899597168 19431.1591796875 1.49 |
| 3556 294.689575195312 3187.49096679688 0.24 | 1788 294.689575195312 3187.49096679688 0.24 |
| 3557 307.064880371094 112655.33203125 8.64 | 1789 307.064880371094 112655.33203125 8.64 |
| 3558 | 1790 |
| 3559 RECORD_TITLE: MZ:307.0652 | RT:83.4 | grpid:381 | file:NA | |
| 3560 MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812 | |
| 3561 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 | |
| 3562 XCMS groupid (grpid): 381 | |
| 3563 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 3564 PK$NUM_PEAK: 14 | |
| 3565 PK$PEAK: m/z int. rel.int. | |
| 3566 118.766929626465 2792.95947265625 0.21 | |
| 3567 133.049362182617 4987.00708007812 0.38 | |
| 3568 155.031463623047 6253.12939453125 0.48 | |
| 3569 155.032363891602 3902.88134765625 0.3 | |
| 3570 156.391296386719 3223.2578125 0.25 | |
| 3571 173.128509521484 4659.6298828125 0.36 | |
| 3572 174.131927490234 11407.2829589844 0.88 | |
| 3573 175.022644042969 1303447.25 100 | |
| 3574 193.032424926758 3446.2578125 0.26 | |
| 3575 193.298492431641 2871.95751953125 0.22 | |
| 3576 194.809097290039 2825.58129882812 0.22 | |
| 3577 216.04899597168 19431.1591796875 1.49 | |
| 3578 294.689575195312 3187.49096679688 0.24 | |
| 3579 307.064880371094 112655.33203125 8.64 | |
| 3580 | |
| 3581 RECORD_TITLE: MZ:310.1362 | RT:64.4 | grpid:390 | file:NA | 1791 RECORD_TITLE: MZ:310.1362 | RT:64.4 | grpid:390 | file:NA |
| 3582 MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354 | 1792 MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354 |
| 3583 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 | 1793 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
| 3584 XCMS groupid (grpid): 390 | 1794 XCMS groupid (grpid): 390 |
| 3585 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1795 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 3586 PK$NUM_PEAK: 51 | 1796 PK$NUM_PEAK: 51 |
| 3587 PK$PEAK: m/z int. rel.int. | 1797 PK$PEAK: m/z int. rel.int. |
| 3588 101.071449279785 48478.1953125 7.64 | 1798 101.071449279785 48478.1953125 7.64 |
| 3589 102.055252075195 7670.65087890625 1.21 | 1799 102.055252075195 7670.65087890625 1.21 |
| 3590 107.049453735352 45553.19921875 7.18 | 1800 107.049453735352 45553.19921875 7.18 |
| 3635 304.273651123047 2863.95190429688 0.45 | 1845 304.273651123047 2863.95190429688 0.45 |
| 3636 310.14013671875 39121.29296875 6.17 | 1846 310.14013671875 39121.29296875 6.17 |
| 3637 310.17350769043 244785.870849609 38.6 | 1847 310.17350769043 244785.870849609 38.6 |
| 3638 332.187194824219 2774.29077148438 0.44 | 1848 332.187194824219 2774.29077148438 0.44 |
| 3639 | 1849 |
| 3640 RECORD_TITLE: MZ:310.1362 | RT:64.4 | grpid:390 | file:NA | |
| 3641 MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354 | |
| 3642 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 | |
| 3643 XCMS groupid (grpid): 390 | |
| 3644 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 3645 PK$NUM_PEAK: 51 | |
| 3646 PK$PEAK: m/z int. rel.int. | |
| 3647 101.071449279785 48478.1953125 7.64 | |
| 3648 102.055252075195 7670.65087890625 1.21 | |
| 3649 107.049453735352 45553.19921875 7.18 | |
| 3650 110.155097961426 2676.5810546875 0.42 | |
| 3651 112.037281036377 85147.5859375 13.43 | |
| 3652 118.064765930176 5521.37060546875 0.87 | |
| 3653 119.049392700195 170980.6875 26.96 | |
| 3654 122.226097106934 2590.57788085938 0.41 | |
| 3655 128.505966186523 2817.84057617188 0.44 | |
| 3656 129.102386474609 19331.947265625 3.05 | |
| 3657 130.049987792969 634170.25 100 | |
| 3658 130.086410522461 27528.513671875 4.34 | |
| 3659 136.075668334961 334873.158447266 52.8 | |
| 3660 140.068290710449 10018.8166503906 1.58 | |
| 3661 142.047698974609 4177.8212890625 0.66 | |
| 3662 147.044296264648 79662.3125 12.56 | |
| 3663 147.076385498047 580076.5625 91.47 | |
| 3664 147.112426757812 29871.99609375 4.71 | |
| 3665 150.052665710449 61469.9375 9.69 | |
| 3666 150.443908691406 2979.03173828125 0.47 | |
| 3667 152.053649902344 6134.9091796875 0.97 | |
| 3668 161.502365112305 2828.345703125 0.45 | |
| 3669 164.070419311523 6033.85009765625 0.95 | |
| 3670 165.054351806641 4315.41455078125 0.68 | |
| 3671 171.076309204102 4954.19189453125 0.78 | |
| 3672 181.097259521484 39991.01171875 6.31 | |
| 3673 182.080657958984 3655.09594726562 0.58 | |
| 3674 195.074569702148 17532.904296875 2.76 | |
| 3675 202.086074829102 6956.16845703125 1.1 | |
| 3676 208.992401123047 3394.27856445312 0.54 | |
| 3677 211.104759216309 13888.5063476562 2.19 | |
| 3678 213.083847045898 15632.0244140625 2.46 | |
| 3679 221.125801086426 5436.90771484375 0.86 | |
| 3680 231.580581665039 2973.04028320312 0.47 | |
| 3681 234.454711914062 2736.16625976562 0.43 | |
| 3682 239.136528015137 118789.87890625 18.73 | |
| 3683 241.37614440918 3378.51806640625 0.53 | |
| 3684 245.100341796875 3069.955078125 0.48 | |
| 3685 248.093536376953 5122.92138671875 0.81 | |
| 3686 250.42936706543 2767.24926757812 0.44 | |
| 3687 258.075561523438 4643.25 0.73 | |
| 3688 266.110534667969 46120.03125 7.27 | |
| 3689 274.932250976562 3154.478515625 0.5 | |
| 3690 276.086181640625 35498.7421875 5.6 | |
| 3691 283.275482177734 3348.0849609375 0.53 | |
| 3692 292.165405273438 3616.77392578125 0.57 | |
| 3693 293.112335205078 16164.1708984375 2.55 | |
| 3694 304.273651123047 2863.95190429688 0.45 | |
| 3695 310.14013671875 39121.29296875 6.17 | |
| 3696 310.17350769043 244785.870849609 38.6 | |
| 3697 332.187194824219 2774.29077148438 0.44 | |
| 3698 | |
| 3699 RECORD_TITLE: MZ:311.1234 | RT:60.6 | grpid:391 | file:NA | 1850 RECORD_TITLE: MZ:311.1234 | RT:60.6 | grpid:391 | file:NA |
| 3700 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208 | 1851 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208 |
| 3701 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 | 1852 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
| 3702 XCMS groupid (grpid): 391 | 1853 XCMS groupid (grpid): 391 |
| 3703 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1854 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 3704 PK$NUM_PEAK: 62 | 1855 PK$NUM_PEAK: 62 |
| 3705 PK$PEAK: m/z int. rel.int. | 1856 PK$PEAK: m/z int. rel.int. |
| 3706 102.048942565918 4303.8115234375 0.45 | 1857 102.048942565918 4303.8115234375 0.45 |
| 3707 102.055358886719 49099.8896484375 5.08 | 1858 102.055358886719 49099.8896484375 5.08 |
| 3708 103.05436706543 7600.23388671875 0.79 | 1859 103.05436706543 7600.23388671875 0.79 |
| 3764 311.131500244141 43559.3193359375 4.51 | 1915 311.131500244141 43559.3193359375 4.51 |
| 3765 311.137954711914 3476.56726074219 0.36 | 1916 311.137954711914 3476.56726074219 0.36 |
| 3766 313.788848876953 3409.77734375 0.35 | 1917 313.788848876953 3409.77734375 0.35 |
| 3767 320.026641845703 3267.57104492188 0.34 | 1918 320.026641845703 3267.57104492188 0.34 |
| 3768 | 1919 |
| 3769 RECORD_TITLE: MZ:311.1234 | RT:60.6 | grpid:391 | file:NA | |
| 3770 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208 | |
| 3771 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 | |
| 3772 XCMS groupid (grpid): 391 | |
| 3773 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 3774 PK$NUM_PEAK: 62 | |
| 3775 PK$PEAK: m/z int. rel.int. | |
| 3776 102.048942565918 4303.8115234375 0.45 | |
| 3777 102.055358886719 49099.8896484375 5.08 | |
| 3778 103.05436706543 7600.23388671875 0.79 | |
| 3779 107.049310684204 11809.7557373047 1.22 | |
| 3780 109.065208435059 5418.91796875 0.56 | |
| 3781 114.61727142334 2876.46118164062 0.3 | |
| 3782 119.04940032959 179391.00390625 18.57 | |
| 3783 119.307312011719 3252.21557617188 0.34 | |
| 3784 120.052787780762 10326.5603027344 1.07 | |
| 3785 121.065071105957 11237.3334960938 1.16 | |
| 3786 123.044271469116 285969.004882812 29.6 | |
| 3787 125.071075439453 5314.79223632812 0.55 | |
| 3788 130.049911499023 158658.584960938 16.42 | |
| 3789 131.053672790527 29080.9599609375 3.01 | |
| 3790 134.996307373047 3666.89208984375 0.38 | |
| 3791 136.07572555542 966213.015625 100 | |
| 3792 137.060760498047 3881.92492675781 0.4 | |
| 3793 137.079208374023 93793.65625 9.71 | |
| 3794 147.043998718262 148454.690429688 15.36 | |
| 3795 147.076271057129 46299.0361328125 4.79 | |
| 3796 148.047470092773 6516.5263671875 0.67 | |
| 3797 148.060165405273 5060.16064453125 0.52 | |
| 3798 148.079872131348 27249.5419921875 2.82 | |
| 3799 148.084915161133 2965.43701171875 0.31 | |
| 3800 151.880661010742 4251.25390625 0.44 | |
| 3801 153.065826416016 16059.1528320312 1.66 | |
| 3802 155.041900634766 2950.26489257812 0.31 | |
| 3803 159.057067871094 2885.26391601562 0.3 | |
| 3804 165.040451049805 6191.5 0.64 | |
| 3805 165.054618835449 615694.97265625 63.72 | |
| 3806 166.294631958008 4826.2314453125 0.5 | |
| 3807 173.486709594727 3112.88696289062 0.32 | |
| 3808 176.294235229492 3482.40258789062 0.36 | |
| 3809 182.081188201904 353090.7734375 36.54 | |
| 3810 192.803115844727 2815.35791015625 0.29 | |
| 3811 202.086135864258 120572.661132812 12.48 | |
| 3812 202.100662231445 5722.71240234375 0.59 | |
| 3813 208.105644226074 6027.32958984375 0.62 | |
| 3814 212.064224243164 40951.513671875 4.24 | |
| 3815 212.546920776367 3294.35961914062 0.34 | |
| 3816 215.030548095703 2844.96044921875 0.29 | |
| 3817 219.112503051758 3053.4462890625 0.32 | |
| 3818 220.097061157227 4142.263671875 0.43 | |
| 3819 225.296691894531 3369.232421875 0.35 | |
| 3820 246.04460144043 4092.14892578125 0.42 | |
| 3821 247.107585906982 160139.884521484 16.57 | |
| 3822 248.09130859375 111737.50390625 11.56 | |
| 3823 248.334350585938 4942.72265625 0.51 | |
| 3824 250.001190185547 4457.26806640625 0.46 | |
| 3825 261.415008544922 3475.93676757812 0.36 | |
| 3826 266.758697509766 3608.98876953125 0.37 | |
| 3827 275.164428710938 4258.0537109375 0.44 | |
| 3828 290.621398925781 4374.6171875 0.45 | |
| 3829 293.112396240234 32461.78125 3.36 | |
| 3830 293.114105224609 29779.12890625 3.08 | |
| 3831 294.09651184082 75939.826171875 7.86 | |
| 3832 294.107330322266 3196.60620117188 0.33 | |
| 3833 297.643768310547 3068.45141601562 0.32 | |
| 3834 311.131500244141 43559.3193359375 4.51 | |
| 3835 311.137954711914 3476.56726074219 0.36 | |
| 3836 313.788848876953 3409.77734375 0.35 | |
| 3837 320.026641845703 3267.57104492188 0.34 | |
| 3838 | |
| 3839 RECORD_TITLE: MZ:313.1745 | RT:70.5 | grpid:397 | file:NA | 1920 RECORD_TITLE: MZ:313.1745 | RT:70.5 | grpid:397 | file:NA |
| 3840 MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203 | 1921 MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203 |
| 3841 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 | 1922 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
| 3842 XCMS groupid (grpid): 397 | 1923 XCMS groupid (grpid): 397 |
| 3843 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1924 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 3844 PK$NUM_PEAK: 19 | 1925 PK$NUM_PEAK: 19 |
| 3845 PK$PEAK: m/z int. rel.int. | 1926 PK$PEAK: m/z int. rel.int. |
| 3846 101.525428771973 4244.95068359375 35.51 | 1927 101.525428771973 4244.95068359375 35.51 |
| 3847 101.695213317871 3385.59912109375 28.32 | 1928 101.695213317871 3385.59912109375 28.32 |
| 3848 119.048828125 4152.005859375 34.74 | 1929 119.048828125 4152.005859375 34.74 |
| 3861 285.324310302734 4988.541015625 41.73 | 1942 285.324310302734 4988.541015625 41.73 |
| 3862 313.157730102539 5351.81689453125 44.77 | 1943 313.157730102539 5351.81689453125 44.77 |
| 3863 324.759063720703 3623.89794921875 30.32 | 1944 324.759063720703 3623.89794921875 30.32 |
| 3864 329.386474609375 3902.72241210938 32.65 | 1945 329.386474609375 3902.72241210938 32.65 |
| 3865 | 1946 |
| 3866 RECORD_TITLE: MZ:313.1745 | RT:70.5 | grpid:397 | file:NA | |
| 3867 MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203 | |
| 3868 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 | |
| 3869 XCMS groupid (grpid): 397 | |
| 3870 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 3871 PK$NUM_PEAK: 19 | |
| 3872 PK$PEAK: m/z int. rel.int. | |
| 3873 101.525428771973 4244.95068359375 35.51 | |
| 3874 101.695213317871 3385.59912109375 28.32 | |
| 3875 119.048828125 4152.005859375 34.74 | |
| 3876 123.044132232666 3785.5224609375 31.67 | |
| 3877 124.907073974609 4038.091796875 33.78 | |
| 3878 126.253456115723 3662.13037109375 30.64 | |
| 3879 130.359146118164 3944.45581054688 33 | |
| 3880 136.075408935547 7209.80151367188 60.32 | |
| 3881 145.595932006836 3384.28491210938 28.31 | |
| 3882 150.716735839844 4027.36254882812 33.69 | |
| 3883 165.054832458496 11952.9467773438 100 | |
| 3884 182.080932617188 4217.93798828125 35.29 | |
| 3885 183.308929443359 3979.28833007812 33.29 | |
| 3886 190.214126586914 3634.75854492188 30.41 | |
| 3887 275.897308349609 4505.84912109375 37.7 | |
| 3888 285.324310302734 4988.541015625 41.73 | |
| 3889 313.157730102539 5351.81689453125 44.77 | |
| 3890 324.759063720703 3623.89794921875 30.32 | |
| 3891 329.386474609375 3902.72241210938 32.65 | |
| 3892 | |
| 3893 RECORD_TITLE: MZ:317.1788 | RT:69.2 | grpid:407 | file:NA | 1947 RECORD_TITLE: MZ:317.1788 | RT:69.2 | grpid:407 | file:NA |
| 3894 MS$FOCUSED_ION: PRECURSOR_M/Z 317.178762768594 | 1948 MS$FOCUSED_ION: PRECURSOR_M/Z 317.178762768594 |
| 3895 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026 | 1949 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026 |
| 3896 XCMS groupid (grpid): 407 | 1950 XCMS groupid (grpid): 407 |
| 3897 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 1951 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 3898 PK$NUM_PEAK: 59 | 1952 PK$NUM_PEAK: 59 |
| 3899 PK$PEAK: m/z int. rel.int. | 1953 PK$PEAK: m/z int. rel.int. |
| 3900 100.000617980957 2764.93823242188 1.39 | 1954 100.000617980957 2764.93823242188 1.39 |
| 3901 101.071342468262 52776.33203125 26.46 | 1955 101.071342468262 52776.33203125 26.46 |
| 3902 110.060340881348 24591.759765625 12.33 | 1956 110.060340881348 24591.759765625 12.33 |
| 3955 255.133773803711 6747.7666015625 3.38 | 2009 255.133773803711 6747.7666015625 3.38 |
| 3956 272.159423828125 10641.6845703125 5.33 | 2010 272.159423828125 10641.6845703125 5.33 |
| 3957 299.171508789062 68947.8515625 34.56 | 2011 299.171508789062 68947.8515625 34.56 |
| 3958 317.116455078125 4209.64306640625 2.11 | 2012 317.116455078125 4209.64306640625 2.11 |
| 3959 | 2013 |
| 3960 RECORD_TITLE: MZ:317.1788 | RT:69.2 | grpid:407 | file:NA | |
| 3961 MS$FOCUSED_ION: PRECURSOR_M/Z 317.178762768594 | |
| 3962 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026 | |
| 3963 XCMS groupid (grpid): 407 | |
| 3964 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 3965 PK$NUM_PEAK: 59 | |
| 3966 PK$PEAK: m/z int. rel.int. | |
| 3967 100.000617980957 2764.93823242188 1.39 | |
| 3968 101.071342468262 52776.33203125 26.46 | |
| 3969 110.060340881348 24591.759765625 12.33 | |
| 3970 111.924682617188 2987.87060546875 1.5 | |
| 3971 113.071136474609 3521.54345703125 1.77 | |
| 3972 113.107749938965 4745.8115234375 2.38 | |
| 3973 116.03458404541 7157.07080078125 3.59 | |
| 3974 118.086532592773 152523.0625 76.46 | |
| 3975 124.039489746094 95420.796875 47.83 | |
| 3976 124.0751953125 5830.203125 2.92 | |
| 3977 125.355590820312 2952.05908203125 1.48 | |
| 3978 127.08674621582 14919.6650390625 7.48 | |
| 3979 129.065933227539 16939.873046875 8.49 | |
| 3980 129.102073669434 5174.90893554688 2.59 | |
| 3981 129.56950378418 3229.58862304688 1.62 | |
| 3982 131.118225097656 17803.7077636719 8.92 | |
| 3983 133.050811767578 7192.8984375 3.61 | |
| 3984 133.060806274414 179811.671875 90.14 | |
| 3985 138.091178894043 11768.0251464844 5.9 | |
| 3986 141.065505981445 5540.62353515625 2.78 | |
| 3987 141.102127075195 18097.263671875 9.07 | |
| 3988 141.112274169922 3000.49243164062 1.5 | |
| 3989 143.117965698242 4690.75146484375 2.35 | |
| 3990 145.060546875 39804.20703125 19.95 | |
| 3991 154.09748840332 199481.4375 100 | |
| 3992 154.110397338867 6653.892578125 3.34 | |
| 3993 155.015762329102 4930.830078125 2.47 | |
| 3994 155.081466674805 134560.96875 67.46 | |
| 3995 155.117683410645 9135.45166015625 4.58 | |
| 3996 155.152099609375 3026.45239257812 1.52 | |
| 3997 157.133438110352 94024.890625 47.13 | |
| 3998 158.092193603516 6244.7109375 3.13 | |
| 3999 169.060424804688 5067.861328125 2.54 | |
| 4000 170.044631958008 96956.9140625 48.6 | |
| 4001 172.10791015625 36266.9609375 18.18 | |
| 4002 178.415512084961 2798.56494140625 1.4 | |
| 4003 182.092483520508 98820.796875 49.54 | |
| 4004 182.128387451172 56813.08203125 28.48 | |
| 4005 183.076568603516 32172.50390625 16.13 | |
| 4006 183.112602233887 49895.705078125 25.01 | |
| 4007 185.128265380859 24880.546875 12.47 | |
| 4008 186.08716583252 24211.0078125 12.14 | |
| 4009 187.071311950684 88360.20703125 44.29 | |
| 4010 189.123641967773 17734.556640625 8.89 | |
| 4011 196.948913574219 2996.55834960938 1.5 | |
| 4012 200.103057861328 19847.759765625 9.95 | |
| 4013 200.139114379883 16344.5825195312 8.19 | |
| 4014 201.124221801758 4613.8994140625 2.31 | |
| 4015 204.097801208496 76574.49609375 38.39 | |
| 4016 208.096878051758 5119.6318359375 2.57 | |
| 4017 210.124572753906 14695.6591796875 7.37 | |
| 4018 211.107757568359 18789.5859375 9.42 | |
| 4019 225.123199462891 4797.7587890625 2.41 | |
| 4020 228.134841918945 26519.537109375 13.29 | |
| 4021 245.35807800293 3679.95971679688 1.84 | |
| 4022 255.133773803711 6747.7666015625 3.38 | |
| 4023 272.159423828125 10641.6845703125 5.33 | |
| 4024 299.171508789062 68947.8515625 34.56 | |
| 4025 317.116455078125 4209.64306640625 2.11 | |
| 4026 | |
| 4027 RECORD_TITLE: MZ:320.1805 | RT:62.9 | grpid:415 | file:NA | 2014 RECORD_TITLE: MZ:320.1805 | RT:62.9 | grpid:415 | file:NA |
| 4028 MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627 | 2015 MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627 |
| 4029 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 | 2016 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
| 4030 XCMS groupid (grpid): 415 | 2017 XCMS groupid (grpid): 415 |
| 4031 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2018 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 4032 PK$NUM_PEAK: 78 | 2019 PK$NUM_PEAK: 78 |
| 4033 PK$PEAK: m/z int. rel.int. | 2020 PK$PEAK: m/z int. rel.int. |
| 4034 100.63224029541 2963.869140625 0.4 | 2021 100.63224029541 2963.869140625 0.4 |
| 4035 101.071395874023 149174.751831055 20.26 | 2022 101.071395874023 149174.751831055 20.26 |
| 4036 101.206703186035 3570.3681640625 0.48 | 2023 101.206703186035 3570.3681640625 0.48 |
| 4108 307.448608398438 2918.53735351562 0.4 | 2095 307.448608398438 2918.53735351562 0.4 |
| 4109 320.157135009766 5962.02001953125 0.81 | 2096 320.157135009766 5962.02001953125 0.81 |
| 4110 342.055236816406 3642.53344726562 0.49 | 2097 342.055236816406 3642.53344726562 0.49 |
| 4111 343.174377441406 4363.37353515625 0.59 | 2098 343.174377441406 4363.37353515625 0.59 |
| 4112 | 2099 |
| 4113 RECORD_TITLE: MZ:320.1805 | RT:62.9 | grpid:415 | file:NA | |
| 4114 MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627 | |
| 4115 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 | |
| 4116 XCMS groupid (grpid): 415 | |
| 4117 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 4118 PK$NUM_PEAK: 78 | |
| 4119 PK$PEAK: m/z int. rel.int. | |
| 4120 100.63224029541 2963.869140625 0.4 | |
| 4121 101.071395874023 149174.751831055 20.26 | |
| 4122 101.206703186035 3570.3681640625 0.48 | |
| 4123 102.055271148682 24799.04296875 3.37 | |
| 4124 108.080657958984 4892.19140625 0.66 | |
| 4125 108.081634521484 10953.9453125 1.49 | |
| 4126 110.071514129639 4683.70764160156 0.64 | |
| 4127 110.096813201904 52555.44140625 7.14 | |
| 4128 110.366577148438 3414.05200195312 0.46 | |
| 4129 112.075988769531 35052.5234375 4.76 | |
| 4130 112.112503051758 26669.7333984375 3.62 | |
| 4131 112.67554473877 3376.37451171875 0.46 | |
| 4132 113.071197509766 4852.32629394531 0.66 | |
| 4133 118.086502075195 21080.421875 2.86 | |
| 4134 120.065803527832 56865.564453125 7.72 | |
| 4135 122.827262878418 3484.9326171875 0.47 | |
| 4136 128.107093811035 220110.3671875 29.89 | |
| 4137 128.354934692383 3170.56494140625 0.43 | |
| 4138 129.102348327637 93544.12890625 12.7 | |
| 4139 130.049980163574 13078.6883544922 1.78 | |
| 4140 130.086334228516 207334.921875 28.16 | |
| 4141 131.081161499023 3706.05786132812 0.5 | |
| 4142 136.075912475586 3415.15625 0.46 | |
| 4143 138.09105682373 10252.4157714844 1.39 | |
| 4144 140.070541381836 5268.96630859375 0.72 | |
| 4145 141.065902709961 4718.63427734375 0.64 | |
| 4146 142.122779846191 7076.05712890625 0.96 | |
| 4147 144.102104187012 3472.76672363281 0.47 | |
| 4148 145.727447509766 2849.14697265625 0.39 | |
| 4149 146.079727172852 3270.75537109375 0.44 | |
| 4150 155.117156982422 16230.1065673828 2.2 | |
| 4151 155.118110656738 19353.3371582031 2.63 | |
| 4152 155.306137084961 2754.38598632812 0.37 | |
| 4153 156.076416015625 4794.39697265625 0.65 | |
| 4154 156.077651977539 3957.36669921875 0.54 | |
| 4155 156.100448608398 3721.38208007812 0.51 | |
| 4156 157.097118377686 25811.8729248047 3.51 | |
| 4157 159.076553344727 9673.98974609375 1.31 | |
| 4158 165.269470214844 2941.64770507812 0.4 | |
| 4159 169.59992980957 2906.36572265625 0.39 | |
| 4160 171.077926635742 3279.56762695312 0.45 | |
| 4161 173.12837600708 736402.455566406 100 | |
| 4162 175.107643127441 98712.125 13.4 | |
| 4163 183.112533569336 5188.830078125 0.7 | |
| 4164 185.092338562012 8837.73626708984 1.2 | |
| 4165 185.542449951172 2855.73461914062 0.39 | |
| 4166 185.871612548828 3396.39013671875 0.46 | |
| 4167 187.072006225586 5646.04931640625 0.77 | |
| 4168 187.144203186035 13531.6088867188 1.84 | |
| 4169 189.085006713867 4207.75341796875 0.57 | |
| 4170 196.677001953125 3836.27905273438 0.52 | |
| 4171 201.12349319458 81805.4133300781 11.11 | |
| 4172 201.141998291016 4870.205078125 0.66 | |
| 4173 203.102951049805 40584.607421875 5.51 | |
| 4174 206.069625854492 3313.53002929688 0.45 | |
| 4175 206.911346435547 3781.48364257812 0.51 | |
| 4176 207.097984313965 13394.4077148438 1.82 | |
| 4177 212.083724975586 2866.78637695312 0.39 | |
| 4178 219.133857727051 27836.3818359375 3.78 | |
| 4179 221.113983154297 5093.689453125 0.69 | |
| 4180 224.080978393555 4571.36254882812 0.62 | |
| 4181 229.116897583008 2883.51318359375 0.39 | |
| 4182 237.601058959961 2892.41748046875 0.39 | |
| 4183 241.118682861328 6213.60546875 0.84 | |
| 4184 258.145965576172 26688.8759765625 3.62 | |
| 4185 259.127563476562 6199.59521484375 0.84 | |
| 4186 259.129089355469 6648.86767578125 0.9 | |
| 4187 263.309234619141 3296.20361328125 0.45 | |
| 4188 265.652374267578 3211.76806640625 0.44 | |
| 4189 276.698638916016 3204.525390625 0.44 | |
| 4190 279.226867675781 3227.61767578125 0.44 | |
| 4191 291.824340820312 2872.27758789062 0.39 | |
| 4192 302.170928955078 15033.4965820312 2.04 | |
| 4193 304.179077148438 2929.642578125 0.4 | |
| 4194 307.448608398438 2918.53735351562 0.4 | |
| 4195 320.157135009766 5962.02001953125 0.81 | |
| 4196 342.055236816406 3642.53344726562 0.49 | |
| 4197 343.174377441406 4363.37353515625 0.59 | |
| 4198 | |
| 4199 RECORD_TITLE: MZ:323.0385 | RT:83.4 | grpid:423 | file:NA | 2100 RECORD_TITLE: MZ:323.0385 | RT:83.4 | grpid:423 | file:NA |
| 4200 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119 | 2101 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119 |
| 4201 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 | 2102 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
| 4202 XCMS groupid (grpid): 423 | 2103 XCMS groupid (grpid): 423 |
| 4203 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2104 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 4204 PK$NUM_PEAK: 19 | 2105 PK$NUM_PEAK: 19 |
| 4205 PK$PEAK: m/z int. rel.int. | 2106 PK$PEAK: m/z int. rel.int. |
| 4206 106.13370513916 3051.279296875 31.77 | 2107 106.13370513916 3051.279296875 31.77 |
| 4207 128.50553894043 3386.35693359375 35.26 | 2108 128.50553894043 3386.35693359375 35.26 |
| 4208 129.365707397461 3141.83325195312 32.72 | 2109 129.365707397461 3141.83325195312 32.72 |
| 4221 305.012542724609 5284.28857421875 55.03 | 2122 305.012542724609 5284.28857421875 55.03 |
| 4222 323.039337158203 9602.89892578125 100 | 2123 323.039337158203 9602.89892578125 100 |
| 4223 344.520050048828 3327.75537109375 34.65 | 2124 344.520050048828 3327.75537109375 34.65 |
| 4224 348.558624267578 3066.99365234375 31.94 | 2125 348.558624267578 3066.99365234375 31.94 |
| 4225 | 2126 |
| 4226 RECORD_TITLE: MZ:323.0385 | RT:83.4 | grpid:423 | file:NA | |
| 4227 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119 | |
| 4228 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 | |
| 4229 XCMS groupid (grpid): 423 | |
| 4230 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 4231 PK$NUM_PEAK: 19 | |
| 4232 PK$PEAK: m/z int. rel.int. | |
| 4233 106.13370513916 3051.279296875 31.77 | |
| 4234 128.50553894043 3386.35693359375 35.26 | |
| 4235 129.365707397461 3141.83325195312 32.72 | |
| 4236 137.635299682617 2781.98217773438 28.97 | |
| 4237 144.017776489258 2624.34545898438 27.33 | |
| 4238 153.065856933594 2935.0458984375 30.56 | |
| 4239 155.72932434082 2785.9228515625 29.01 | |
| 4240 174.750671386719 2664.54467773438 27.75 | |
| 4241 179.621505737305 2628.43286132812 27.37 | |
| 4242 190.996322631836 6637.37841796875 69.12 | |
| 4243 190.997634887695 3309.103515625 34.46 | |
| 4244 211.282440185547 2709.78198242188 28.22 | |
| 4245 212.091339111328 2775.75756835938 28.91 | |
| 4246 222.567947387695 2769.4775390625 28.84 | |
| 4247 256.982543945312 3841.45336914062 40 | |
| 4248 305.012542724609 5284.28857421875 55.03 | |
| 4249 323.039337158203 9602.89892578125 100 | |
| 4250 344.520050048828 3327.75537109375 34.65 | |
| 4251 348.558624267578 3066.99365234375 31.94 | |
| 4252 | |
| 4253 RECORD_TITLE: MZ:326.1474 | RT:97.7 | grpid:429 | file:NA | 2127 RECORD_TITLE: MZ:326.1474 | RT:97.7 | grpid:429 | file:NA |
| 4254 MS$FOCUSED_ION: PRECURSOR_M/Z 326.147406045903 | 2128 MS$FOCUSED_ION: PRECURSOR_M/Z 326.147406045903 |
| 4255 AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058 | 2129 AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058 |
| 4256 XCMS groupid (grpid): 429 | 2130 XCMS groupid (grpid): 429 |
| 4257 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2131 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 4258 PK$NUM_PEAK: 8 | 2132 PK$NUM_PEAK: 8 |
| 4259 PK$PEAK: m/z int. rel.int. | 2133 PK$PEAK: m/z int. rel.int. |
| 4260 110.071594238281 18136.025390625 100 | 2134 110.071594238281 18136.025390625 100 |
| 4261 111.771446228027 2785.8037109375 15.36 | 2135 111.771446228027 2785.8037109375 15.36 |
| 4262 117.990272521973 2784.25244140625 15.35 | 2136 117.990272521973 2784.25244140625 15.35 |
| 4264 165.825180053711 2898.11499023438 15.98 | 2138 165.825180053711 2898.11499023438 15.98 |
| 4265 202.852157592773 3820.03295898438 21.06 | 2139 202.852157592773 3820.03295898438 21.06 |
| 4266 255.132080078125 4374.06005859375 24.12 | 2140 255.132080078125 4374.06005859375 24.12 |
| 4267 309.125244140625 6484.82861328125 35.76 | 2141 309.125244140625 6484.82861328125 35.76 |
| 4268 | 2142 |
| 4269 RECORD_TITLE: MZ:326.1474 | RT:97.7 | grpid:429 | file:NA | |
| 4270 MS$FOCUSED_ION: PRECURSOR_M/Z 326.147406045903 | |
| 4271 AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058 | |
| 4272 XCMS groupid (grpid): 429 | |
| 4273 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 4274 PK$NUM_PEAK: 8 | |
| 4275 PK$PEAK: m/z int. rel.int. | |
| 4276 110.071594238281 18136.025390625 100 | |
| 4277 111.771446228027 2785.8037109375 15.36 | |
| 4278 117.990272521973 2784.25244140625 15.35 | |
| 4279 156.076690673828 14272.5439453125 78.7 | |
| 4280 165.825180053711 2898.11499023438 15.98 | |
| 4281 202.852157592773 3820.03295898438 21.06 | |
| 4282 255.132080078125 4374.06005859375 24.12 | |
| 4283 309.125244140625 6484.82861328125 35.76 | |
| 4284 | |
| 4285 RECORD_TITLE: MZ:332.1813 | RT:65.9 | grpid:443 | file:NA | 2143 RECORD_TITLE: MZ:332.1813 | RT:65.9 | grpid:443 | file:NA |
| 4286 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007 | 2144 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007 |
| 4287 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 | 2145 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 |
| 4288 XCMS groupid (grpid): 443 | 2146 XCMS groupid (grpid): 443 |
| 4289 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2147 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 4290 PK$NUM_PEAK: 7 | 2148 PK$NUM_PEAK: 7 |
| 4291 PK$PEAK: m/z int. rel.int. | 2149 PK$PEAK: m/z int. rel.int. |
| 4292 102.055431365967 27022.8269042969 42.2 | 2150 102.055431365967 27022.8269042969 42.2 |
| 4293 109.076393127441 4476.58837890625 6.99 | 2151 109.076393127441 4476.58837890625 6.99 |
| 4294 130.049758911133 24178.3735351562 37.76 | 2152 130.049758911133 24178.3735351562 37.76 |
| 4295 157.133674621582 64029.02734375 100 | 2153 157.133674621582 64029.02734375 100 |
| 4296 201.086990356445 60467.7214355469 94.44 | 2154 201.086990356445 60467.7214355469 94.44 |
| 4297 219.097457885742 39047.7158203125 60.98 | 2155 219.097457885742 39047.7158203125 60.98 |
| 4298 233.113388061523 43867.30859375 68.51 | 2156 233.113388061523 43867.30859375 68.51 |
| 4299 | 2157 |
| 4300 RECORD_TITLE: MZ:332.1813 | RT:65.9 | grpid:443 | file:NA | |
| 4301 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007 | |
| 4302 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 | |
| 4303 XCMS groupid (grpid): 443 | |
| 4304 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 4305 PK$NUM_PEAK: 7 | |
| 4306 PK$PEAK: m/z int. rel.int. | |
| 4307 102.055431365967 27022.8269042969 42.2 | |
| 4308 109.076393127441 4476.58837890625 6.99 | |
| 4309 130.049758911133 24178.3735351562 37.76 | |
| 4310 157.133674621582 64029.02734375 100 | |
| 4311 201.086990356445 60467.7214355469 94.44 | |
| 4312 219.097457885742 39047.7158203125 60.98 | |
| 4313 233.113388061523 43867.30859375 68.51 | |
| 4314 | |
| 4315 RECORD_TITLE: MZ:334.1384 | RT:121.6 | grpid:450 | file:NA | 2158 RECORD_TITLE: MZ:334.1384 | RT:121.6 | grpid:450 | file:NA |
| 4316 MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283 | 2159 MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283 |
| 4317 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708 | 2160 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708 |
| 4318 XCMS groupid (grpid): 450 | 2161 XCMS groupid (grpid): 450 |
| 4319 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2162 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 4320 PK$NUM_PEAK: 52 | 2163 PK$NUM_PEAK: 52 |
| 4321 PK$PEAK: m/z int. rel.int. | 2164 PK$PEAK: m/z int. rel.int. |
| 4322 102.039459228516 3126.5771484375 1.3 | 2165 102.039459228516 3126.5771484375 1.3 |
| 4323 102.055393218994 28924.8486328125 12.03 | 2166 102.055393218994 28924.8486328125 12.03 |
| 4324 105.638916015625 2670.29809570312 1.11 | 2167 105.638916015625 2670.29809570312 1.11 |
| 4370 326.211242675781 3113.96240234375 1.3 | 2213 326.211242675781 3113.96240234375 1.3 |
| 4371 331.68310546875 3073.66259765625 1.28 | 2214 331.68310546875 3073.66259765625 1.28 |
| 4372 341.972106933594 3192.58032226562 1.33 | 2215 341.972106933594 3192.58032226562 1.33 |
| 4373 347.064605712891 3606.46557617188 1.5 | 2216 347.064605712891 3606.46557617188 1.5 |
| 4374 | 2217 |
| 4375 RECORD_TITLE: MZ:334.1384 | RT:121.6 | grpid:450 | file:NA | |
| 4376 MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283 | |
| 4377 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708 | |
| 4378 XCMS groupid (grpid): 450 | |
| 4379 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 4380 PK$NUM_PEAK: 52 | |
| 4381 PK$PEAK: m/z int. rel.int. | |
| 4382 102.039459228516 3126.5771484375 1.3 | |
| 4383 102.055393218994 28924.8486328125 12.03 | |
| 4384 105.638916015625 2670.29809570312 1.11 | |
| 4385 115.054626464844 5557.07958984375 2.31 | |
| 4386 117.057487487793 6078.82861328125 2.53 | |
| 4387 117.070014953613 3981.421875 1.66 | |
| 4388 118.06526184082 3313.49340820312 1.38 | |
| 4389 130.05005645752 4868.30004882812 2.03 | |
| 4390 130.065113067627 102264.188537598 42.54 | |
| 4391 130.162689208984 3056.7685546875 1.27 | |
| 4392 132.071838378906 3012.13842773438 1.25 | |
| 4393 132.0810546875 102457.63671875 42.63 | |
| 4394 132.654556274414 3404.462890625 1.42 | |
| 4395 134.146469116211 3342.78857421875 1.39 | |
| 4396 142.065338134766 23379.9931640625 9.73 | |
| 4397 142.121871948242 2997.10668945312 1.25 | |
| 4398 144.080966949463 95771.9963989258 39.84 | |
| 4399 146.03205871582 3363.439453125 1.4 | |
| 4400 148.061050415039 5300.45068359375 2.21 | |
| 4401 156.029846191406 3091.78295898438 1.29 | |
| 4402 159.091701507568 240368.406982422 100 | |
| 4403 160.075492858887 27109.7802734375 11.28 | |
| 4404 160.094924926758 11488.8818359375 4.78 | |
| 4405 161.097595214844 4805.8994140625 2 | |
| 4406 170.059925079346 138106.479553223 57.46 | |
| 4407 170.158843994141 3004.7626953125 1.25 | |
| 4408 171.062759399414 3257.57153320312 1.36 | |
| 4409 172.07551574707 4901.2236328125 2.04 | |
| 4410 175.081741333008 3287.94970703125 1.37 | |
| 4411 182.887130737305 3075.35620117188 1.28 | |
| 4412 185.055725097656 4065.85803222656 1.69 | |
| 4413 187.143844604492 3390.4921875 1.41 | |
| 4414 188.070938110352 5657.86596679688 2.35 | |
| 4415 194.829803466797 3063.95654296875 1.27 | |
| 4416 200.221343994141 3180.76538085938 1.32 | |
| 4417 211.62971496582 2979.23071289062 1.24 | |
| 4418 237.655975341797 2828.33325195312 1.18 | |
| 4419 237.822662353516 3933.26025390625 1.64 | |
| 4420 243.971221923828 3058.2705078125 1.27 | |
| 4421 267.561004638672 3180.29345703125 1.32 | |
| 4422 271.107147216797 3924.17333984375 1.63 | |
| 4423 275.105682373047 4434.3291015625 1.84 | |
| 4424 278.594848632812 3003.77319335938 1.25 | |
| 4425 290.107940673828 6866.68310546875 2.86 | |
| 4426 292.225799560547 2910.02954101562 1.21 | |
| 4427 299.102325439453 15749.515625 6.55 | |
| 4428 317.112945556641 71396.86328125 29.7 | |
| 4429 319.119873046875 3982.1943359375 1.66 | |
| 4430 326.211242675781 3113.96240234375 1.3 | |
| 4431 331.68310546875 3073.66259765625 1.28 | |
| 4432 341.972106933594 3192.58032226562 1.33 | |
| 4433 347.064605712891 3606.46557617188 1.5 | |
| 4434 | |
| 4435 RECORD_TITLE: MZ:335.0717 | RT:37.1 | grpid:451 | file:NA | 2218 RECORD_TITLE: MZ:335.0717 | RT:37.1 | grpid:451 | file:NA |
| 4436 MS$FOCUSED_ION: PRECURSOR_M/Z 335.071702758472 | 2219 MS$FOCUSED_ION: PRECURSOR_M/Z 335.071702758472 |
| 4437 AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878 | 2220 AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878 |
| 4438 XCMS groupid (grpid): 451 | 2221 XCMS groupid (grpid): 451 |
| 4439 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2222 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 4440 PK$NUM_PEAK: 23 | 2223 PK$NUM_PEAK: 23 |
| 4441 PK$PEAK: m/z int. rel.int. | 2224 PK$PEAK: m/z int. rel.int. |
| 4442 109.028854370117 77211.3671875 100 | 2225 109.028854370117 77211.3671875 100 |
| 4443 112.417579650879 2861.51879882812 3.71 | 2226 112.417579650879 2861.51879882812 3.71 |
| 4444 116.994819641113 14928.2919921875 19.33 | 2227 116.994819641113 14928.2919921875 19.33 |
| 4461 273.154998779297 3246.16064453125 4.2 | 2244 273.154998779297 3246.16064453125 4.2 |
| 4462 276.924835205078 5296.65771484375 6.86 | 2245 276.924835205078 5296.65771484375 6.86 |
| 4463 316.950531005859 7445.36279296875 9.64 | 2246 316.950531005859 7445.36279296875 9.64 |
| 4464 335.071899414062 3603.01391601562 4.67 | 2247 335.071899414062 3603.01391601562 4.67 |
| 4465 | 2248 |
| 4466 RECORD_TITLE: MZ:335.0717 | RT:37.1 | grpid:451 | file:NA | |
| 4467 MS$FOCUSED_ION: PRECURSOR_M/Z 335.071702758472 | |
| 4468 AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878 | |
| 4469 XCMS groupid (grpid): 451 | |
| 4470 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 4471 PK$NUM_PEAK: 23 | |
| 4472 PK$PEAK: m/z int. rel.int. | |
| 4473 109.028854370117 77211.3671875 100 | |
| 4474 112.417579650879 2861.51879882812 3.71 | |
| 4475 116.994819641113 14928.2919921875 19.33 | |
| 4476 120.833572387695 2670.53662109375 3.46 | |
| 4477 124.93717956543 4491.90380859375 5.82 | |
| 4478 127.038955688477 18605.169921875 24.1 | |
| 4479 140.010711669922 17025.10546875 22.05 | |
| 4480 142.948211669922 6705.46044921875 8.68 | |
| 4481 145.049789428711 6557.4921875 8.49 | |
| 4482 162.45671081543 3080.2978515625 3.99 | |
| 4483 163.060287475586 22311.455078125 28.9 | |
| 4484 164.930374145508 42782.25390625 55.41 | |
| 4485 173.020812988281 63736.734375 82.55 | |
| 4486 178.944793701172 22036.150390625 28.54 | |
| 4487 215.009567260742 14709.431640625 19.05 | |
| 4488 218.967132568359 51529.28515625 66.74 | |
| 4489 236.957992553711 29484.544921875 38.19 | |
| 4490 244.980163574219 4468.62158203125 5.79 | |
| 4491 261.036590576172 47865.4765625 61.99 | |
| 4492 273.154998779297 3246.16064453125 4.2 | |
| 4493 276.924835205078 5296.65771484375 6.86 | |
| 4494 316.950531005859 7445.36279296875 9.64 | |
| 4495 335.071899414062 3603.01391601562 4.67 | |
| 4496 | |
| 4497 RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:NA | 2249 RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:NA |
| 4498 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949 | 2250 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949 |
| 4499 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 | 2251 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
| 4500 XCMS groupid (grpid): 479 | 2252 XCMS groupid (grpid): 479 |
| 4501 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2253 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 4502 PK$NUM_PEAK: 40 | 2254 PK$NUM_PEAK: 40 |
| 4503 PK$PEAK: m/z int. rel.int. | 2255 PK$PEAK: m/z int. rel.int. |
| 4504 101.07145690918 42013.8671875 15.33 | 2256 101.07145690918 42013.8671875 15.33 |
| 4505 102.055435180664 13601.3348388672 4.96 | 2257 102.055435180664 13601.3348388672 4.96 |
| 4506 106.050281524658 80382.76171875 29.33 | 2258 106.050281524658 80382.76171875 29.33 |
| 4540 234.108367919922 22634.8635253906 8.26 | 2292 234.108367919922 22634.8635253906 8.26 |
| 4541 242.150058746338 21764.7761230469 7.94 | 2293 242.150058746338 21764.7761230469 7.94 |
| 4542 329.181488037109 11274.7761230469 4.11 | 2294 329.181488037109 11274.7761230469 4.11 |
| 4543 347.136184692383 4085.76953125 1.49 | 2295 347.136184692383 4085.76953125 1.49 |
| 4544 | 2296 |
| 4545 RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:NA | |
| 4546 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949 | |
| 4547 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 | |
| 4548 XCMS groupid (grpid): 479 | |
| 4549 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 4550 PK$NUM_PEAK: 40 | |
| 4551 PK$PEAK: m/z int. rel.int. | |
| 4552 101.07145690918 42013.8671875 15.33 | |
| 4553 102.055435180664 13601.3348388672 4.96 | |
| 4554 106.050281524658 80382.76171875 29.33 | |
| 4555 119.081886291504 20982.5908203125 7.66 | |
| 4556 120.065902709961 36710.8544921875 13.39 | |
| 4557 129.066047668457 38798.3251953125 14.16 | |
| 4558 129.102546691895 8172.5771484375 2.98 | |
| 4559 130.05001449585 32116.1342773438 11.72 | |
| 4560 131.117923736572 58518.6560058594 21.35 | |
| 4561 133.06086730957 9769.66430664062 3.56 | |
| 4562 136.06169128418 84242.04296875 30.74 | |
| 4563 138.091270446777 17284.3686523438 6.31 | |
| 4564 142.123107910156 4127.76293945312 1.51 | |
| 4565 147.076286315918 21140.9025878906 7.71 | |
| 4566 154.049865722656 16886.4985351562 6.16 | |
| 4567 155.117904663086 11958.1408691406 4.36 | |
| 4568 157.061103820801 11410.8273925781 4.16 | |
| 4569 169.133476257324 36649.73828125 13.37 | |
| 4570 171.075836181641 15973.2768554688 5.83 | |
| 4571 173.128398895264 19281.6587524414 7.03 | |
| 4572 183.112934112549 24968.0172119141 9.11 | |
| 4573 187.144176483154 35368.5026855469 12.9 | |
| 4574 195.076560974121 4683.19836425781 1.71 | |
| 4575 196.144481658936 274085.2265625 100 | |
| 4576 197.128223419189 174569.551269531 63.69 | |
| 4577 199.071220397949 22197.138671875 8.1 | |
| 4578 200.05534362793 19542.0102539062 7.13 | |
| 4579 200.139255523682 19403.5975341797 7.08 | |
| 4580 211.107872009277 25114.0581054688 9.16 | |
| 4581 214.154949188232 99234.4387207031 36.21 | |
| 4582 216.097702026367 79466.4448242188 28.99 | |
| 4583 217.081867218018 48405.6391601562 17.66 | |
| 4584 224.139167785645 42035.3784179688 15.34 | |
| 4585 225.123352050781 27503.9404296875 10.03 | |
| 4586 228.134410858154 7447.71801757812 2.72 | |
| 4587 230.113746643066 16533.8125 6.03 | |
| 4588 234.108367919922 22634.8635253906 8.26 | |
| 4589 242.150058746338 21764.7761230469 7.94 | |
| 4590 329.181488037109 11274.7761230469 4.11 | |
| 4591 347.136184692383 4085.76953125 1.49 | |
| 4592 | |
| 4593 RECORD_TITLE: MZ:352.0633 | RT:112 | grpid:488 | file:NA | 2297 RECORD_TITLE: MZ:352.0633 | RT:112 | grpid:488 | file:NA |
| 4594 MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513 | 2298 MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513 |
| 4595 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 | 2299 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
| 4596 XCMS groupid (grpid): 488 | 2300 XCMS groupid (grpid): 488 |
| 4597 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2301 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 4598 PK$NUM_PEAK: 22 | 2302 PK$NUM_PEAK: 22 |
| 4599 PK$PEAK: m/z int. rel.int. | 2303 PK$PEAK: m/z int. rel.int. |
| 4600 102.055809020996 3488.69775390625 0.63 | 2304 102.055809020996 3488.69775390625 0.63 |
| 4601 105.000898361206 16336.8388671875 2.95 | 2305 105.000898361206 16336.8388671875 2.95 |
| 4602 105.978281021118 15852.0971679688 2.87 | 2306 105.978281021118 15852.0971679688 2.87 |
| 4618 223.020523071289 75684.09375 13.68 | 2322 223.020523071289 75684.09375 13.68 |
| 4619 231.043304443359 212588.828125 38.43 | 2323 231.043304443359 212588.828125 38.43 |
| 4620 289.03076171875 21141.5427246094 3.82 | 2324 289.03076171875 21141.5427246094 3.82 |
| 4621 335.036277770996 7863.31567382812 1.42 | 2325 335.036277770996 7863.31567382812 1.42 |
| 4622 | 2326 |
| 4623 RECORD_TITLE: MZ:352.0633 | RT:112 | grpid:488 | file:NA | |
| 4624 MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513 | |
| 4625 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 | |
| 4626 XCMS groupid (grpid): 488 | |
| 4627 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 4628 PK$NUM_PEAK: 22 | |
| 4629 PK$PEAK: m/z int. rel.int. | |
| 4630 102.055809020996 3488.69775390625 0.63 | |
| 4631 105.000898361206 16336.8388671875 2.95 | |
| 4632 105.978281021118 15852.0971679688 2.87 | |
| 4633 114.001266479492 4553.93688964844 0.82 | |
| 4634 117.996013641357 6775.927734375 1.23 | |
| 4635 120.081104278564 13023.3732910156 2.35 | |
| 4636 122.027236938477 553120.8125 100 | |
| 4637 130.050018310547 86552.171875 15.65 | |
| 4638 131.993957519531 7682.41979980469 1.39 | |
| 4639 153.065776824951 20146.9638671875 3.64 | |
| 4640 155.081321716309 13938.3671875 2.52 | |
| 4641 159.021842956543 3775.62109375 0.68 | |
| 4642 177.999046325684 83820.31640625 15.15 | |
| 4643 181.060913085938 10014.1801757812 1.81 | |
| 4644 185.037879943848 58502.39453125 10.58 | |
| 4645 195.025619506836 160501.0390625 29.02 | |
| 4646 199.071537017822 26622.7993164062 4.81 | |
| 4647 205.994037628174 13038.1251220703 2.36 | |
| 4648 223.020523071289 75684.09375 13.68 | |
| 4649 231.043304443359 212588.828125 38.43 | |
| 4650 289.03076171875 21141.5427246094 3.82 | |
| 4651 335.036277770996 7863.31567382812 1.42 | |
| 4652 | |
| 4653 RECORD_TITLE: MZ:361.1381 | RT:70.6 | grpid:513 | file:NA | 2327 RECORD_TITLE: MZ:361.1381 | RT:70.6 | grpid:513 | file:NA |
| 4654 MS$FOCUSED_ION: PRECURSOR_M/Z 361.138129803043 | 2328 MS$FOCUSED_ION: PRECURSOR_M/Z 361.138129803043 |
| 4655 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 | 2329 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
| 4656 XCMS groupid (grpid): 513 | 2330 XCMS groupid (grpid): 513 |
| 4657 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2331 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 4658 PK$NUM_PEAK: 85 | 2332 PK$NUM_PEAK: 85 |
| 4659 PK$PEAK: m/z int. rel.int. | 2333 PK$PEAK: m/z int. rel.int. |
| 4660 100.039588928223 12111.5087890625 4.67 | 2334 100.039588928223 12111.5087890625 4.67 |
| 4661 107.049629211426 4299.3486328125 1.66 | 2335 107.049629211426 4299.3486328125 1.66 |
| 4662 110.023170471191 3329.40161132812 1.28 | 2336 110.023170471191 3329.40161132812 1.28 |
| 4741 327.087799072266 5716.10888671875 2.2 | 2415 327.087799072266 5716.10888671875 2.2 |
| 4742 343.513671875 4175.29833984375 1.61 | 2416 343.513671875 4175.29833984375 1.61 |
| 4743 344.113220214844 18831.517578125 7.26 | 2417 344.113220214844 18831.517578125 7.26 |
| 4744 361.139190673828 34313.515625 13.22 | 2418 361.139190673828 34313.515625 13.22 |
| 4745 | 2419 |
| 4746 RECORD_TITLE: MZ:361.1381 | RT:70.6 | grpid:513 | file:NA | |
| 4747 MS$FOCUSED_ION: PRECURSOR_M/Z 361.138129803043 | |
| 4748 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 | |
| 4749 XCMS groupid (grpid): 513 | |
| 4750 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 4751 PK$NUM_PEAK: 85 | |
| 4752 PK$PEAK: m/z int. rel.int. | |
| 4753 100.039588928223 12111.5087890625 4.67 | |
| 4754 107.049629211426 4299.3486328125 1.66 | |
| 4755 110.023170471191 3329.40161132812 1.28 | |
| 4756 113.107704162598 4920.34716796875 1.9 | |
| 4757 116.034530639648 7970.45849609375 3.07 | |
| 4758 116.070457458496 3458.05126953125 1.33 | |
| 4759 116.985847473145 13577.693359375 5.23 | |
| 4760 119.073257446289 52893.6640625 20.38 | |
| 4761 130.049957275391 20132.3671875 7.76 | |
| 4762 133.060897827148 144405.171875 55.65 | |
| 4763 134.060043334961 17994.07421875 6.93 | |
| 4764 134.981506347656 5619.01708984375 2.17 | |
| 4765 135.068466186523 23966.64453125 9.24 | |
| 4766 138.09162902832 13969.5419921875 5.38 | |
| 4767 141.102188110352 37979.31640625 14.64 | |
| 4768 143.118011474609 7567.67626953125 2.92 | |
| 4769 147.076568603516 19166.4921875 7.39 | |
| 4770 155.117233276367 6305.6201171875 2.43 | |
| 4771 156.102005004883 36974.96875 14.25 | |
| 4772 158.013305664062 4057.98681640625 1.56 | |
| 4773 165.070190429688 5099.9306640625 1.97 | |
| 4774 171.112991333008 4143.97216796875 1.6 | |
| 4775 173.092239379883 15757.16796875 6.07 | |
| 4776 179.085739135742 7024.31640625 2.71 | |
| 4777 181.064788818359 5268.21240234375 2.03 | |
| 4778 181.101837158203 5614.2802734375 2.16 | |
| 4779 183.080139160156 12282.3447265625 4.73 | |
| 4780 183.113555908203 29961.744140625 11.55 | |
| 4781 184.096923828125 12666.150390625 4.88 | |
| 4782 187.075881958008 4133.361328125 1.59 | |
| 4783 187.142852783203 3805.51293945312 1.47 | |
| 4784 188.072265625 11006.3916015625 4.24 | |
| 4785 189.04345703125 4672.9296875 1.8 | |
| 4786 191.085342407227 22742.767578125 8.76 | |
| 4787 194.072357177734 13341.189453125 5.14 | |
| 4788 195.080490112305 19792.763671875 7.63 | |
| 4789 201.123229980469 259482.203125 100 | |
| 4790 207.079467773438 39465.890625 15.21 | |
| 4791 209.096343994141 56589.96875 21.81 | |
| 4792 210.067993164062 4406.3505859375 1.7 | |
| 4793 211.075164794922 20023.044921875 7.72 | |
| 4794 213.090377807617 18122.58984375 6.98 | |
| 4795 215.072402954102 3484.60229492188 1.34 | |
| 4796 219.079452514648 26361.6953125 10.16 | |
| 4797 221.060852050781 4412.328125 1.7 | |
| 4798 222.067459106445 3540.63134765625 1.36 | |
| 4799 223.074951171875 7758.408203125 2.99 | |
| 4800 224.080169677734 7972.9208984375 3.07 | |
| 4801 225.090362548828 25800.498046875 9.94 | |
| 4802 229.083251953125 3768.3662109375 1.45 | |
| 4803 229.118225097656 12735.6953125 4.91 | |
| 4804 230.070190429688 5364.15283203125 2.07 | |
| 4805 235.075057983398 126146.1484375 48.61 | |
| 4806 237.090667724609 160906.78125 62.01 | |
| 4807 239.069213867188 14495.7060546875 5.59 | |
| 4808 240.101486206055 4774.25439453125 1.84 | |
| 4809 241.085800170898 46825.71484375 18.05 | |
| 4810 242.118072509766 7847.2568359375 3.02 | |
| 4811 248.07975769043 6978.37646484375 2.69 | |
| 4812 248.124008178711 5452.91552734375 2.1 | |
| 4813 252.101409912109 75927.4921875 29.26 | |
| 4814 253.086029052734 26955.53515625 10.39 | |
| 4815 254.117233276367 172187.140625 66.36 | |
| 4816 256.095886230469 16094.89453125 6.2 | |
| 4817 256.129821777344 3579.3505859375 1.38 | |
| 4818 257.084869384766 6229.66748046875 2.4 | |
| 4819 263.070037841797 17579.080078125 6.77 | |
| 4820 265.084991455078 22661.712890625 8.73 | |
| 4821 269.128082275391 117529.4765625 45.29 | |
| 4822 270.111968994141 75451.5546875 29.08 | |
| 4823 271.095458984375 6631.2734375 2.56 | |
| 4824 280.097412109375 8217.4287109375 3.17 | |
| 4825 281.081176757812 37312.8984375 14.38 | |
| 4826 281.109832763672 5784.72265625 2.23 | |
| 4827 283.096374511719 65701.3984375 25.32 | |
| 4828 298.107055664062 90345.890625 34.82 | |
| 4829 299.091491699219 8044.08203125 3.1 | |
| 4830 300.122497558594 13494.9658203125 5.2 | |
| 4831 315.133636474609 233480.109375 89.98 | |
| 4832 316.117401123047 35712.87890625 13.76 | |
| 4833 319.153411865234 5623.4189453125 2.17 | |
| 4834 327.087799072266 5716.10888671875 2.2 | |
| 4835 343.513671875 4175.29833984375 1.61 | |
| 4836 344.113220214844 18831.517578125 7.26 | |
| 4837 361.139190673828 34313.515625 13.22 | |
| 4838 | |
| 4839 RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:NA | 2420 RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:NA |
| 4840 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631 | 2421 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631 |
| 4841 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 | 2422 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
| 4842 XCMS groupid (grpid): 515 | 2423 XCMS groupid (grpid): 515 |
| 4843 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2424 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 4844 PK$NUM_PEAK: 28 | 2425 PK$NUM_PEAK: 28 |
| 4845 PK$PEAK: m/z int. rel.int. | 2426 PK$PEAK: m/z int. rel.int. |
| 4846 101.071460723877 22447.7890625 9.82 | 2427 101.071460723877 22447.7890625 9.82 |
| 4847 102.055389404297 124352.671875 54.37 | 2428 102.055389404297 124352.671875 54.37 |
| 4848 102.202476501465 3083.99609375 1.35 | 2429 102.202476501465 3083.99609375 1.35 |
| 4870 238.79475402832 3672.62524414062 1.61 | 2451 238.79475402832 3672.62524414062 1.61 |
| 4871 242.328903198242 3181.13891601562 1.39 | 2452 242.328903198242 3181.13891601562 1.39 |
| 4872 243.1337890625 47365.04296875 20.71 | 2453 243.1337890625 47365.04296875 20.71 |
| 4873 249.107627868652 8284.73291015625 3.62 | 2454 249.107627868652 8284.73291015625 3.62 |
| 4874 | 2455 |
| 4875 RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:NA | |
| 4876 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631 | |
| 4877 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 | |
| 4878 XCMS groupid (grpid): 515 | |
| 4879 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 4880 PK$NUM_PEAK: 28 | |
| 4881 PK$PEAK: m/z int. rel.int. | |
| 4882 101.071460723877 22447.7890625 9.82 | |
| 4883 102.055389404297 124352.671875 54.37 | |
| 4884 102.202476501465 3083.99609375 1.35 | |
| 4885 112.222114562988 3042.80590820312 1.33 | |
| 4886 116.071235656738 6828.22705078125 2.99 | |
| 4887 120.06575012207 122754.9296875 53.68 | |
| 4888 130.049751281738 29039.6904296875 12.7 | |
| 4889 140.07054901123 11533.4318847656 5.04 | |
| 4890 142.122718811035 10574.3703613281 4.62 | |
| 4891 143.118179321289 3994.87170410156 1.75 | |
| 4892 148.060852050781 4624.80590820312 2.02 | |
| 4893 152.107116699219 3751.466796875 1.64 | |
| 4894 154.849838256836 3004.14819335938 1.31 | |
| 4895 169.06022644043 4621.54443359375 2.02 | |
| 4896 170.118118286133 7709.37158203125 3.37 | |
| 4897 185.092147827148 11393.6999511719 4.98 | |
| 4898 187.144096374512 105053.1640625 45.94 | |
| 4899 197.129096984863 10520.5854492188 4.6 | |
| 4900 202.127166748047 4503.88134765625 1.97 | |
| 4901 213.086868286133 78922.734375 34.51 | |
| 4902 215.138969421387 228697.65625 100 | |
| 4903 231.097595214844 136025.984375 59.48 | |
| 4904 231.119110107422 6252.3779296875 2.73 | |
| 4905 231.143371582031 3239.9208984375 1.42 | |
| 4906 238.79475402832 3672.62524414062 1.61 | |
| 4907 242.328903198242 3181.13891601562 1.39 | |
| 4908 243.1337890625 47365.04296875 20.71 | |
| 4909 249.107627868652 8284.73291015625 3.62 | |
| 4910 | |
| 4911 RECORD_TITLE: MZ:363.1562 | RT:69.7 | grpid:518 | file:NA | 2456 RECORD_TITLE: MZ:363.1562 | RT:69.7 | grpid:518 | file:NA |
| 4912 MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281 | 2457 MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281 |
| 4913 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042 | 2458 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042 |
| 4914 XCMS groupid (grpid): 518 | 2459 XCMS groupid (grpid): 518 |
| 4915 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2460 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 4916 PK$NUM_PEAK: 20 | 2461 PK$NUM_PEAK: 20 |
| 4917 PK$PEAK: m/z int. rel.int. | 2462 PK$PEAK: m/z int. rel.int. |
| 4918 100.313407897949 6955.587890625 2.25 | 2463 100.313407897949 6955.587890625 2.25 |
| 4919 103.620452880859 5906.43359375 1.91 | 2464 103.620452880859 5906.43359375 1.91 |
| 4920 119.049404144287 67519.607421875 21.83 | 2465 119.049404144287 67519.607421875 21.83 |
| 4934 253.381652832031 6271.06396484375 2.03 | 2479 253.381652832031 6271.06396484375 2.03 |
| 4935 351.907806396484 7833.08203125 2.53 | 2480 351.907806396484 7833.08203125 2.53 |
| 4936 353.493469238281 6891.98046875 2.23 | 2481 353.493469238281 6891.98046875 2.23 |
| 4937 362.615264892578 7317.9599609375 2.37 | 2482 362.615264892578 7317.9599609375 2.37 |
| 4938 | 2483 |
| 4939 RECORD_TITLE: MZ:363.1562 | RT:69.7 | grpid:518 | file:NA | |
| 4940 MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281 | |
| 4941 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042 | |
| 4942 XCMS groupid (grpid): 518 | |
| 4943 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 4944 PK$NUM_PEAK: 20 | |
| 4945 PK$PEAK: m/z int. rel.int. | |
| 4946 100.313407897949 6955.587890625 2.25 | |
| 4947 103.620452880859 5906.43359375 1.91 | |
| 4948 119.049404144287 67519.607421875 21.83 | |
| 4949 120.495223999023 7355.00341796875 2.38 | |
| 4950 123.0442237854 108176.8671875 34.98 | |
| 4951 124.589881896973 6751.685546875 2.18 | |
| 4952 136.075706481934 309278.046875 100 | |
| 4953 147.044059753418 50436.212890625 16.31 | |
| 4954 152.85009765625 7171.017578125 2.32 | |
| 4955 160.325393676758 6112.95458984375 1.98 | |
| 4956 165.054527282715 239925.640625 77.58 | |
| 4957 182.081161499023 135656.0546875 43.86 | |
| 4958 215.139312744141 8024.45361328125 2.59 | |
| 4959 216.112907409668 12928.3149414062 4.18 | |
| 4960 216.143112182617 8893.7724609375 2.88 | |
| 4961 246.316207885742 5869.61962890625 1.9 | |
| 4962 253.381652832031 6271.06396484375 2.03 | |
| 4963 351.907806396484 7833.08203125 2.53 | |
| 4964 353.493469238281 6891.98046875 2.23 | |
| 4965 362.615264892578 7317.9599609375 2.37 | |
| 4966 | |
| 4967 RECORD_TITLE: MZ:369.1509 | RT:118.6 | grpid:537 | file:NA | 2484 RECORD_TITLE: MZ:369.1509 | RT:118.6 | grpid:537 | file:NA |
| 4968 MS$FOCUSED_ION: PRECURSOR_M/Z 369.150928816373 | 2485 MS$FOCUSED_ION: PRECURSOR_M/Z 369.150928816373 |
| 4969 AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076 | 2486 AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076 |
| 4970 XCMS groupid (grpid): 537 | 2487 XCMS groupid (grpid): 537 |
| 4971 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2488 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 4972 PK$NUM_PEAK: 5 | 2489 PK$NUM_PEAK: 5 |
| 4973 PK$PEAK: m/z int. rel.int. | 2490 PK$PEAK: m/z int. rel.int. |
| 4974 113.532424926758 3462.68896484375 100 | 2491 113.532424926758 3462.68896484375 100 |
| 4975 117.139762878418 3111.56518554688 89.86 | 2492 117.139762878418 3111.56518554688 89.86 |
| 4976 141.411041259766 2775.10424804688 80.14 | 2493 141.411041259766 2775.10424804688 80.14 |
| 4977 159.579620361328 2853.40112304688 82.4 | 2494 159.579620361328 2853.40112304688 82.4 |
| 4978 165.934677124023 2729.99926757812 78.84 | 2495 165.934677124023 2729.99926757812 78.84 |
| 4979 | 2496 |
| 4980 RECORD_TITLE: MZ:369.1509 | RT:118.6 | grpid:537 | file:NA | |
| 4981 MS$FOCUSED_ION: PRECURSOR_M/Z 369.150928816373 | |
| 4982 AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076 | |
| 4983 XCMS groupid (grpid): 537 | |
| 4984 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 4985 PK$NUM_PEAK: 5 | |
| 4986 PK$PEAK: m/z int. rel.int. | |
| 4987 113.532424926758 3462.68896484375 100 | |
| 4988 117.139762878418 3111.56518554688 89.86 | |
| 4989 141.411041259766 2775.10424804688 80.14 | |
| 4990 159.579620361328 2853.40112304688 82.4 | |
| 4991 165.934677124023 2729.99926757812 78.84 | |
| 4992 | |
| 4993 RECORD_TITLE: MZ:375.1875 | RT:51.4 | grpid:551 | file:NA | 2497 RECORD_TITLE: MZ:375.1875 | RT:51.4 | grpid:551 | file:NA |
| 4994 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947 | 2498 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947 |
| 4995 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 | 2499 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
| 4996 XCMS groupid (grpid): 551 | 2500 XCMS groupid (grpid): 551 |
| 4997 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2501 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 4998 PK$NUM_PEAK: 23 | 2502 PK$NUM_PEAK: 23 |
| 4999 PK$PEAK: m/z int. rel.int. | 2503 PK$PEAK: m/z int. rel.int. |
| 5000 101.071403503418 12982.2459716797 22.05 | 2504 101.071403503418 12982.2459716797 22.05 |
| 5001 102.055458068848 19944.7926025391 33.88 | 2505 102.055458068848 19944.7926025391 33.88 |
| 5002 116.034637451172 3510.90710449219 5.96 | 2506 116.034637451172 3510.90710449219 5.96 |
| 5019 201.123405456543 35459.3984375 60.24 | 2523 201.123405456543 35459.3984375 60.24 |
| 5020 215.139488220215 23211.8754882812 39.43 | 2524 215.139488220215 23211.8754882812 39.43 |
| 5021 229.118267059326 6735.91967773438 11.44 | 2525 229.118267059326 6735.91967773438 11.44 |
| 5022 244.092918395996 9322.70654296875 15.84 | 2526 244.092918395996 9322.70654296875 15.84 |
| 5023 | 2527 |
| 5024 RECORD_TITLE: MZ:375.1875 | RT:51.4 | grpid:551 | file:NA | |
| 5025 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947 | |
| 5026 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 | |
| 5027 XCMS groupid (grpid): 551 | |
| 5028 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5029 PK$NUM_PEAK: 23 | |
| 5030 PK$PEAK: m/z int. rel.int. | |
| 5031 101.071403503418 12982.2459716797 22.05 | |
| 5032 102.055458068848 19944.7926025391 33.88 | |
| 5033 116.034637451172 3510.90710449219 5.96 | |
| 5034 129.066040039062 10699.6577148438 18.18 | |
| 5035 129.102325439453 13277.869140625 22.56 | |
| 5036 130.049957275391 58865.9428710938 100 | |
| 5037 130.086296081543 5697.1201171875 9.68 | |
| 5038 133.060848236084 14135.4111328125 24.01 | |
| 5039 134.044826507568 12062.333984375 20.49 | |
| 5040 138.091274261475 4080.06127929688 6.93 | |
| 5041 141.102306365967 11987.3245849609 20.36 | |
| 5042 147.076362609863 49614.8515625 84.28 | |
| 5043 148.060459136963 4352.32922363281 7.39 | |
| 5044 155.117980957031 10163.3474121094 17.27 | |
| 5045 183.11319732666 11204.8664550781 19.03 | |
| 5046 187.107566833496 30181.8891601562 51.27 | |
| 5047 196.144451141357 15253.4743652344 25.91 | |
| 5048 197.128623962402 19183.3891601562 32.59 | |
| 5049 200.139324188232 15710.8400878906 26.69 | |
| 5050 201.123405456543 35459.3984375 60.24 | |
| 5051 215.139488220215 23211.8754882812 39.43 | |
| 5052 229.118267059326 6735.91967773438 11.44 | |
| 5053 244.092918395996 9322.70654296875 15.84 | |
| 5054 | |
| 5055 RECORD_TITLE: MZ:394.1621 | RT:112 | grpid:596 | file:NA | 2528 RECORD_TITLE: MZ:394.1621 | RT:112 | grpid:596 | file:NA |
| 5056 MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203 | 2529 MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203 |
| 5057 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 | 2530 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
| 5058 XCMS groupid (grpid): 596 | 2531 XCMS groupid (grpid): 596 |
| 5059 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2532 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5060 PK$NUM_PEAK: 29 | 2533 PK$NUM_PEAK: 29 |
| 5061 PK$PEAK: m/z int. rel.int. | 2534 PK$PEAK: m/z int. rel.int. |
| 5062 102.766708374023 3929.609375 7.5 | 2535 102.766708374023 3929.609375 7.5 |
| 5063 117.806762695312 3366.19604492188 6.43 | 2536 117.806762695312 3366.19604492188 6.43 |
| 5064 118.686012268066 3622.3388671875 6.91 | 2537 118.686012268066 3622.3388671875 6.91 |
| 5087 317.114227294922 13560.7890625 25.89 | 2560 317.114227294922 13560.7890625 25.89 |
| 5088 359.123138427734 5193.3125 9.91 | 2561 359.123138427734 5193.3125 9.91 |
| 5089 359.126098632812 3799.70556640625 7.25 | 2562 359.126098632812 3799.70556640625 7.25 |
| 5090 394.346771240234 3509.42309570312 6.7 | 2563 394.346771240234 3509.42309570312 6.7 |
| 5091 | 2564 |
| 5092 RECORD_TITLE: MZ:394.1621 | RT:112 | grpid:596 | file:NA | |
| 5093 MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203 | |
| 5094 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 | |
| 5095 XCMS groupid (grpid): 596 | |
| 5096 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5097 PK$NUM_PEAK: 29 | |
| 5098 PK$PEAK: m/z int. rel.int. | |
| 5099 102.766708374023 3929.609375 7.5 | |
| 5100 117.806762695312 3366.19604492188 6.43 | |
| 5101 118.686012268066 3622.3388671875 6.91 | |
| 5102 123.743171691895 3217.89379882812 6.14 | |
| 5103 125.071136474609 12022.4211425781 22.95 | |
| 5104 128.317962646484 2899.56469726562 5.53 | |
| 5105 136.075866699219 23457.38671875 44.78 | |
| 5106 142.836349487305 3245.5166015625 6.2 | |
| 5107 147.454162597656 3399.47290039062 6.49 | |
| 5108 151.377349853516 3015.4287109375 5.76 | |
| 5109 155.045272827148 3647.17114257812 6.96 | |
| 5110 165.054244995117 5754.60986328125 10.98 | |
| 5111 167.081008911133 6179.26220703125 11.8 | |
| 5112 167.082138061523 5944.7177734375 11.35 | |
| 5113 175.066543579102 3524.22631835938 6.73 | |
| 5114 182.081329345703 4438.41357421875 8.47 | |
| 5115 185.092002868652 52388.046875 100 | |
| 5116 196.059860229492 4624.06640625 8.83 | |
| 5117 196.061447143555 4606.38916015625 8.79 | |
| 5118 211.785034179688 3312.98022460938 6.32 | |
| 5119 213.086883544922 6513.75048828125 12.43 | |
| 5120 243.112808227539 6943.72216796875 13.25 | |
| 5121 243.903228759766 3231.54345703125 6.17 | |
| 5122 279.134262084961 20368.2421875 38.88 | |
| 5123 317.111999511719 7535.61669921875 14.38 | |
| 5124 317.114227294922 13560.7890625 25.89 | |
| 5125 359.123138427734 5193.3125 9.91 | |
| 5126 359.126098632812 3799.70556640625 7.25 | |
| 5127 394.346771240234 3509.42309570312 6.7 | |
| 5128 | |
| 5129 RECORD_TITLE: MZ:401.0617 | RT:34 | grpid:612 | file:NA | 2565 RECORD_TITLE: MZ:401.0617 | RT:34 | grpid:612 | file:NA |
| 5130 MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436 | 2566 MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436 |
| 5131 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 | 2567 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
| 5132 XCMS groupid (grpid): 612 | 2568 XCMS groupid (grpid): 612 |
| 5133 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2569 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5134 PK$NUM_PEAK: 46 | 2570 PK$NUM_PEAK: 46 |
| 5135 PK$PEAK: m/z int. rel.int. | 2571 PK$PEAK: m/z int. rel.int. |
| 5136 100.988891601562 43947.080078125 1.04 | 2572 100.988891601562 43947.080078125 1.04 |
| 5137 101.309761047363 3056.51245117188 0.07 | 2573 101.309761047363 3056.51245117188 0.07 |
| 5138 108.061096191406 3763.66381835938 0.09 | 2574 108.061096191406 3763.66381835938 0.09 |
| 5178 364.542114257812 7702.04541015625 0.18 | 2614 364.542114257812 7702.04541015625 0.18 |
| 5179 373.381866455078 3680.00122070312 0.09 | 2615 373.381866455078 3680.00122070312 0.09 |
| 5180 376.881713867188 8704.376953125 0.21 | 2616 376.881713867188 8704.376953125 0.21 |
| 5181 404.745391845703 7731.3017578125 0.18 | 2617 404.745391845703 7731.3017578125 0.18 |
| 5182 | 2618 |
| 5183 RECORD_TITLE: MZ:401.0617 | RT:34 | grpid:612 | file:NA | |
| 5184 MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436 | |
| 5185 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 | |
| 5186 XCMS groupid (grpid): 612 | |
| 5187 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5188 PK$NUM_PEAK: 46 | |
| 5189 PK$PEAK: m/z int. rel.int. | |
| 5190 100.988891601562 43947.080078125 1.04 | |
| 5191 101.309761047363 3056.51245117188 0.07 | |
| 5192 108.061096191406 3763.66381835938 0.09 | |
| 5193 109.599235534668 2997.06420898438 0.07 | |
| 5194 116.995037078857 111392.933898926 2.63 | |
| 5195 123.777450561523 8107.2958984375 0.19 | |
| 5196 124.999862670898 51841.46484375 1.22 | |
| 5197 136.999862670898 251506.359375 5.93 | |
| 5198 140.010749816895 95939.6484375 2.26 | |
| 5199 140.450241088867 8842.6044921875 0.21 | |
| 5200 140.528503417969 8499.00390625 0.2 | |
| 5201 141.789901733398 3405.86743164062 0.08 | |
| 5202 155.010334014893 4240725.03125 100 | |
| 5203 156.013954162598 17596.9311523438 0.41 | |
| 5204 157.014739990234 87486.65625 2.06 | |
| 5205 159.085784912109 3452.07983398438 0.08 | |
| 5206 169.349212646484 3243.4013671875 0.08 | |
| 5207 173.020824432373 353005.354003906 8.32 | |
| 5208 173.036026000977 18195.396484375 0.43 | |
| 5209 173.584411621094 3040.2529296875 0.07 | |
| 5210 175.025650024414 10171.7297363281 0.24 | |
| 5211 178.950508117676 33158.3759765625 0.78 | |
| 5212 193.485229492188 3269.10034179688 0.08 | |
| 5213 195.501876831055 7862.93017578125 0.19 | |
| 5214 196.037071228027 49913.736328125 1.18 | |
| 5215 201.402801513672 7493.45556640625 0.18 | |
| 5216 211.036575317383 265732.752563477 6.27 | |
| 5217 213.039443969727 4484.9384765625 0.11 | |
| 5218 213.640502929688 9425.62890625 0.22 | |
| 5219 216.965675354004 142565.0078125 3.36 | |
| 5220 222.872299194336 7800.2646484375 0.18 | |
| 5221 229.047023773193 386616.955200195 9.12 | |
| 5222 229.070068359375 19001.33984375 0.45 | |
| 5223 231.051681518555 5354.7197265625 0.13 | |
| 5224 234.976566314697 479061.331665039 11.3 | |
| 5225 236.981048583984 5037.50830078125 0.12 | |
| 5226 247.057487487793 131127.1796875 3.09 | |
| 5227 254.277374267578 4000.4482421875 0.09 | |
| 5228 257.992340087891 16358.1513671875 0.39 | |
| 5229 291.002975463867 203816.6875 4.81 | |
| 5230 309.013046264648 24559.9672851562 0.58 | |
| 5231 311.400085449219 10430.2568359375 0.25 | |
| 5232 364.542114257812 7702.04541015625 0.18 | |
| 5233 373.381866455078 3680.00122070312 0.09 | |
| 5234 376.881713867188 8704.376953125 0.21 | |
| 5235 404.745391845703 7731.3017578125 0.18 | |
| 5236 | |
| 5237 RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:NA | 2619 RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:NA |
| 5238 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703 | 2620 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703 |
| 5239 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204 | 2621 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204 |
| 5240 XCMS groupid (grpid): 618 | 2622 XCMS groupid (grpid): 618 |
| 5241 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2623 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5242 PK$NUM_PEAK: 12 | 2624 PK$NUM_PEAK: 12 |
| 5243 PK$PEAK: m/z int. rel.int. | 2625 PK$PEAK: m/z int. rel.int. |
| 5244 136.051010131836 4214.84375 1.59 | 2626 136.051010131836 4214.84375 1.59 |
| 5245 136.061767578125 170576.3046875 64.29 | 2627 136.061767578125 170576.3046875 64.29 |
| 5246 137.045783996582 265340.859375 100 | 2628 137.045783996582 265340.859375 100 |
| 5252 207.745498657227 2866.4462890625 1.08 | 2634 207.745498657227 2866.4462890625 1.08 |
| 5253 215.409362792969 3903.9443359375 1.47 | 2635 215.409362792969 3903.9443359375 1.47 |
| 5254 254.295944213867 4236.8359375 1.6 | 2636 254.295944213867 4236.8359375 1.6 |
| 5255 305.455352783203 3670.34033203125 1.38 | 2637 305.455352783203 3670.34033203125 1.38 |
| 5256 | 2638 |
| 5257 RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:NA | |
| 5258 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703 | |
| 5259 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204 | |
| 5260 XCMS groupid (grpid): 618 | |
| 5261 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5262 PK$NUM_PEAK: 12 | |
| 5263 PK$PEAK: m/z int. rel.int. | |
| 5264 136.051010131836 4214.84375 1.59 | |
| 5265 136.061767578125 170576.3046875 64.29 | |
| 5266 137.045783996582 265340.859375 100 | |
| 5267 149.350723266602 2960.25122070312 1.12 | |
| 5268 152.028915405273 3706.61962890625 1.4 | |
| 5269 155.559341430664 3138.55590820312 1.18 | |
| 5270 176.857574462891 3244.943359375 1.22 | |
| 5271 191.558868408203 3635.75805664062 1.37 | |
| 5272 207.745498657227 2866.4462890625 1.08 | |
| 5273 215.409362792969 3903.9443359375 1.47 | |
| 5274 254.295944213867 4236.8359375 1.6 | |
| 5275 305.455352783203 3670.34033203125 1.38 | |
| 5276 | |
| 5277 RECORD_TITLE: MZ:407.2046 | RT:72.2 | grpid:625 | file:NA | 2639 RECORD_TITLE: MZ:407.2046 | RT:72.2 | grpid:625 | file:NA |
| 5278 MS$FOCUSED_ION: PRECURSOR_M/Z 407.204554471595 | 2640 MS$FOCUSED_ION: PRECURSOR_M/Z 407.204554471595 |
| 5279 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 | 2641 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 |
| 5280 XCMS groupid (grpid): 625 | 2642 XCMS groupid (grpid): 625 |
| 5281 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2643 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5282 PK$NUM_PEAK: 31 | 2644 PK$NUM_PEAK: 31 |
| 5283 PK$PEAK: m/z int. rel.int. | 2645 PK$PEAK: m/z int. rel.int. |
| 5284 102.055419921875 29241.109375 5.9 | 2646 102.055419921875 29241.109375 5.9 |
| 5285 104.053215026855 36839.7578125 7.44 | 2647 104.053215026855 36839.7578125 7.44 |
| 5286 109.02864074707 18452.52734375 3.72 | 2648 109.02864074707 18452.52734375 3.72 |
| 5311 276.108459472656 36373.86328125 7.34 | 2673 276.108459472656 36373.86328125 7.34 |
| 5312 293.534423828125 3759.82836914062 0.76 | 2674 293.534423828125 3759.82836914062 0.76 |
| 5313 302.942840576172 3783.8955078125 0.76 | 2675 302.942840576172 3783.8955078125 0.76 |
| 5314 344.885498046875 3337.09936523438 0.67 | 2676 344.885498046875 3337.09936523438 0.67 |
| 5315 | 2677 |
| 5316 RECORD_TITLE: MZ:407.2046 | RT:72.2 | grpid:625 | file:NA | |
| 5317 MS$FOCUSED_ION: PRECURSOR_M/Z 407.204554471595 | |
| 5318 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 | |
| 5319 XCMS groupid (grpid): 625 | |
| 5320 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5321 PK$NUM_PEAK: 31 | |
| 5322 PK$PEAK: m/z int. rel.int. | |
| 5323 102.055419921875 29241.109375 5.9 | |
| 5324 104.053215026855 36839.7578125 7.44 | |
| 5325 109.02864074707 18452.52734375 3.72 | |
| 5326 111.270988464355 3561.50805664062 0.72 | |
| 5327 116.052536010742 3233.939453125 0.65 | |
| 5328 116.070777893066 13699.947265625 2.77 | |
| 5329 126.055152893066 96099.703125 19.4 | |
| 5330 127.451728820801 3604.42553710938 0.73 | |
| 5331 130.050262451172 4331.92431640625 0.87 | |
| 5332 132.102096557617 40127.29296875 8.1 | |
| 5333 138.054977416992 495429.3125 100 | |
| 5334 143.08235168457 5169.75390625 1.04 | |
| 5335 144.0654296875 110722.25 22.35 | |
| 5336 144.076126098633 5807.7001953125 1.17 | |
| 5337 159.075912475586 12614.484375 2.55 | |
| 5338 161.074722290039 4780.4208984375 0.96 | |
| 5339 163.027908325195 3617.16259765625 0.73 | |
| 5340 168.065414428711 104829.1171875 21.16 | |
| 5341 171.076583862305 7918.15283203125 1.6 | |
| 5342 173.12809753418 6250.19384765625 1.26 | |
| 5343 179.168167114258 3541.37573242188 0.71 | |
| 5344 186.075805664062 92374.96875 18.65 | |
| 5345 187.071105957031 19836.36328125 4 | |
| 5346 189.06901550293 20552.5390625 4.15 | |
| 5347 189.086181640625 6041.65234375 1.22 | |
| 5348 201.086990356445 23055.71875 4.65 | |
| 5349 270.140502929688 3485.42749023438 0.7 | |
| 5350 276.108459472656 36373.86328125 7.34 | |
| 5351 293.534423828125 3759.82836914062 0.76 | |
| 5352 302.942840576172 3783.8955078125 0.76 | |
| 5353 344.885498046875 3337.09936523438 0.67 | |
| 5354 | |
| 5355 RECORD_TITLE: MZ:414.2346 | RT:113.6 | grpid:641 | file:NA | 2678 RECORD_TITLE: MZ:414.2346 | RT:113.6 | grpid:641 | file:NA |
| 5356 MS$FOCUSED_ION: PRECURSOR_M/Z 414.234577223874 | 2679 MS$FOCUSED_ION: PRECURSOR_M/Z 414.234577223874 |
| 5357 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 | 2680 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
| 5358 XCMS groupid (grpid): 641 | 2681 XCMS groupid (grpid): 641 |
| 5359 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2682 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5360 PK$NUM_PEAK: 11 | 2683 PK$NUM_PEAK: 11 |
| 5361 PK$PEAK: m/z int. rel.int. | 2684 PK$PEAK: m/z int. rel.int. |
| 5362 101.072120666504 3460.662109375 2.89 | 2685 101.072120666504 3460.662109375 2.89 |
| 5363 130.050003051758 23700.412109375 19.76 | 2686 130.050003051758 23700.412109375 19.76 |
| 5364 143.118316650391 6467.0634765625 5.39 | 2687 143.118316650391 6467.0634765625 5.39 |
| 5369 227.102462768555 13762.5078125 11.47 | 2692 227.102462768555 13762.5078125 11.47 |
| 5370 244.129257202148 119940.1875 100 | 2693 244.129257202148 119940.1875 100 |
| 5371 291.886047363281 3740.046875 3.12 | 2694 291.886047363281 3740.046875 3.12 |
| 5372 299.767974853516 4064.77465820312 3.39 | 2695 299.767974853516 4064.77465820312 3.39 |
| 5373 | 2696 |
| 5374 RECORD_TITLE: MZ:414.2346 | RT:113.6 | grpid:641 | file:NA | |
| 5375 MS$FOCUSED_ION: PRECURSOR_M/Z 414.234577223874 | |
| 5376 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 | |
| 5377 XCMS groupid (grpid): 641 | |
| 5378 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5379 PK$NUM_PEAK: 11 | |
| 5380 PK$PEAK: m/z int. rel.int. | |
| 5381 101.072120666504 3460.662109375 2.89 | |
| 5382 130.050003051758 23700.412109375 19.76 | |
| 5383 143.118316650391 6467.0634765625 5.39 | |
| 5384 147.076400756836 57435.73046875 47.89 | |
| 5385 171.114654541016 3607.89379882812 3.01 | |
| 5386 187.107620239258 12488.6435546875 10.41 | |
| 5387 212.347091674805 2953.01245117188 2.46 | |
| 5388 227.102462768555 13762.5078125 11.47 | |
| 5389 244.129257202148 119940.1875 100 | |
| 5390 291.886047363281 3740.046875 3.12 | |
| 5391 299.767974853516 4064.77465820312 3.39 | |
| 5392 | |
| 5393 RECORD_TITLE: MZ:417.2097 | RT:77.5 | grpid:651 | file:NA | 2697 RECORD_TITLE: MZ:417.2097 | RT:77.5 | grpid:651 | file:NA |
| 5394 MS$FOCUSED_ION: PRECURSOR_M/Z 417.20974572592 | 2698 MS$FOCUSED_ION: PRECURSOR_M/Z 417.20974572592 |
| 5395 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424 | 2699 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424 |
| 5396 XCMS groupid (grpid): 651 | 2700 XCMS groupid (grpid): 651 |
| 5397 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2701 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5398 PK$NUM_PEAK: 50 | 2702 PK$NUM_PEAK: 50 |
| 5399 PK$PEAK: m/z int. rel.int. | 2703 PK$PEAK: m/z int. rel.int. |
| 5400 101.071632385254 21183.01171875 8.79 | 2704 101.071632385254 21183.01171875 8.79 |
| 5401 110.024345397949 4356.50732421875 1.81 | 2705 110.024345397949 4356.50732421875 1.81 |
| 5402 115.050491333008 95092.8828125 39.44 | 2706 115.050491333008 95092.8828125 39.44 |
| 5446 325.152770996094 6104.4619140625 2.53 | 2750 325.152770996094 6104.4619140625 2.53 |
| 5447 342.175933837891 6313.189453125 2.62 | 2751 342.175933837891 6313.189453125 2.62 |
| 5448 372.336669921875 3619.55493164062 1.5 | 2752 372.336669921875 3619.55493164062 1.5 |
| 5449 382.172210693359 4940.5458984375 2.05 | 2753 382.172210693359 4940.5458984375 2.05 |
| 5450 | 2754 |
| 5451 RECORD_TITLE: MZ:417.2097 | RT:77.5 | grpid:651 | file:NA | |
| 5452 MS$FOCUSED_ION: PRECURSOR_M/Z 417.20974572592 | |
| 5453 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424 | |
| 5454 XCMS groupid (grpid): 651 | |
| 5455 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5456 PK$NUM_PEAK: 50 | |
| 5457 PK$PEAK: m/z int. rel.int. | |
| 5458 101.071632385254 21183.01171875 8.79 | |
| 5459 110.024345397949 4356.50732421875 1.81 | |
| 5460 115.050491333008 95092.8828125 39.44 | |
| 5461 115.058029174805 5113.0302734375 2.12 | |
| 5462 125.035163879395 3798.44970703125 1.58 | |
| 5463 128.03466796875 7057.6240234375 2.93 | |
| 5464 129.066192626953 14344.888671875 5.95 | |
| 5465 132.076797485352 241117.15625 100 | |
| 5466 136.039596557617 19952.20703125 8.27 | |
| 5467 138.091293334961 7483.42236328125 3.1 | |
| 5468 139.050628662109 14222.2255859375 5.9 | |
| 5469 139.131530761719 3395.9853515625 1.41 | |
| 5470 153.06575012207 6803.0126953125 2.82 | |
| 5471 156.076614379883 6305.38037109375 2.62 | |
| 5472 164.034301757812 8484.1953125 3.52 | |
| 5473 167.044952392578 8397.5390625 3.48 | |
| 5474 170.983276367188 3608.68090820312 1.5 | |
| 5475 181.060546875 27577.30859375 11.44 | |
| 5476 182.129257202148 23290.46875 9.66 | |
| 5477 183.112838745117 27057.6171875 11.22 | |
| 5478 183.282043457031 3755.23095703125 1.56 | |
| 5479 184.071365356445 23913.513671875 9.92 | |
| 5480 185.092208862305 13970.9443359375 5.79 | |
| 5481 198.087966918945 5590.96142578125 2.32 | |
| 5482 201.086441040039 5095.77099609375 2.11 | |
| 5483 209.055572509766 59876.9453125 24.83 | |
| 5484 211.107772827148 12975.3623046875 5.38 | |
| 5485 213.087799072266 5400.66064453125 2.24 | |
| 5486 215.114074707031 5145.68017578125 2.13 | |
| 5487 220.108795166016 14700.2373046875 6.1 | |
| 5488 221.093078613281 4728.6259765625 1.96 | |
| 5489 226.082061767578 96564.5859375 40.05 | |
| 5490 226.604354858398 3716.79638671875 1.54 | |
| 5491 237.134994506836 4390.27392578125 1.82 | |
| 5492 238.118011474609 13940.3623046875 5.78 | |
| 5493 243.108535766602 103141.328125 42.78 | |
| 5494 263.102355957031 24783.052734375 10.28 | |
| 5495 266.114227294922 19456.26953125 8.07 | |
| 5496 279.144805908203 32799.67578125 13.6 | |
| 5497 280.128326416016 29510.955078125 12.24 | |
| 5498 283.140472412109 6341.9501953125 2.63 | |
| 5499 285.156372070312 5746.60009765625 2.38 | |
| 5500 303.174591064453 3790.90161132812 1.57 | |
| 5501 304.180053710938 17383.96875 7.21 | |
| 5502 308.125305175781 15675.556640625 6.5 | |
| 5503 324.118499755859 8504.177734375 3.53 | |
| 5504 325.152770996094 6104.4619140625 2.53 | |
| 5505 342.175933837891 6313.189453125 2.62 | |
| 5506 372.336669921875 3619.55493164062 1.5 | |
| 5507 382.172210693359 4940.5458984375 2.05 | |
| 5508 | |
| 5509 RECORD_TITLE: MZ:422.2455 | RT:77.3 | grpid:661 | file:NA | 2755 RECORD_TITLE: MZ:422.2455 | RT:77.3 | grpid:661 | file:NA |
| 5510 MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018 | 2756 MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018 |
| 5511 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322 | 2757 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322 |
| 5512 XCMS groupid (grpid): 661 | 2758 XCMS groupid (grpid): 661 |
| 5513 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2759 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5514 PK$NUM_PEAK: 19 | 2760 PK$NUM_PEAK: 19 |
| 5515 PK$PEAK: m/z int. rel.int. | 2761 PK$PEAK: m/z int. rel.int. |
| 5516 102.055618286133 3558.69995117188 16.65 | 2762 102.055618286133 3558.69995117188 16.65 |
| 5517 120.080558776855 4530.3798828125 21.19 | 2763 120.080558776855 4530.3798828125 21.19 |
| 5518 120.081420898438 3910.62768554688 18.29 | 2764 120.081420898438 3910.62768554688 18.29 |
| 5531 387.176788330078 4423.681640625 20.69 | 2777 387.176788330078 4423.681640625 20.69 |
| 5532 404.268035888672 3815.27880859375 17.85 | 2778 404.268035888672 3815.27880859375 17.85 |
| 5533 438.548736572266 3631.70874023438 16.99 | 2779 438.548736572266 3631.70874023438 16.99 |
| 5534 442.898986816406 3885.36962890625 18.17 | 2780 442.898986816406 3885.36962890625 18.17 |
| 5535 | 2781 |
| 5536 RECORD_TITLE: MZ:422.2455 | RT:77.3 | grpid:661 | file:NA | |
| 5537 MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018 | |
| 5538 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322 | |
| 5539 XCMS groupid (grpid): 661 | |
| 5540 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5541 PK$NUM_PEAK: 19 | |
| 5542 PK$PEAK: m/z int. rel.int. | |
| 5543 102.055618286133 3558.69995117188 16.65 | |
| 5544 120.080558776855 4530.3798828125 21.19 | |
| 5545 120.081420898438 3910.62768554688 18.29 | |
| 5546 132.102210998535 3878.61560058594 18.14 | |
| 5547 139.996002197266 3161.169921875 14.79 | |
| 5548 152.552886962891 3656.74609375 17.1 | |
| 5549 164.107551574707 5284.36694335938 24.72 | |
| 5550 169.504211425781 3314.57250976562 15.5 | |
| 5551 174.759521484375 3360.31762695312 15.72 | |
| 5552 230.140182495117 3358.00244140625 15.71 | |
| 5553 241.255187988281 3994.02172851562 18.68 | |
| 5554 243.135665893555 3991.35827636719 18.67 | |
| 5555 244.20588684082 3930.2548828125 18.38 | |
| 5556 267.45654296875 4267.03759765625 19.96 | |
| 5557 339.154739379883 21379.2734375 100 | |
| 5558 387.176788330078 4423.681640625 20.69 | |
| 5559 404.268035888672 3815.27880859375 17.85 | |
| 5560 438.548736572266 3631.70874023438 16.99 | |
| 5561 442.898986816406 3885.36962890625 18.17 | |
| 5562 | |
| 5563 RECORD_TITLE: MZ:423.1908 | RT:84.2 | grpid:664 | file:NA | 2782 RECORD_TITLE: MZ:423.1908 | RT:84.2 | grpid:664 | file:NA |
| 5564 MS$FOCUSED_ION: PRECURSOR_M/Z 423.190755443941 | 2783 MS$FOCUSED_ION: PRECURSOR_M/Z 423.190755443941 |
| 5565 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 | 2784 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
| 5566 XCMS groupid (grpid): 664 | 2785 XCMS groupid (grpid): 664 |
| 5567 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2786 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5568 PK$NUM_PEAK: 25 | 2787 PK$NUM_PEAK: 25 |
| 5569 PK$PEAK: m/z int. rel.int. | 2788 PK$PEAK: m/z int. rel.int. |
| 5570 101.071411132812 46732.83203125 5.16 | 2789 101.071411132812 46732.83203125 5.16 |
| 5571 102.055374145508 88983.625 9.83 | 2790 102.055374145508 88983.625 9.83 |
| 5572 103.054443359375 24983.80859375 2.76 | 2791 103.054443359375 24983.80859375 2.76 |
| 5591 258.108184814453 74684.1171875 8.25 | 2810 258.108184814453 74684.1171875 8.25 |
| 5592 276.116180419922 4201.1201171875 0.46 | 2811 276.116180419922 4201.1201171875 0.46 |
| 5593 277.118377685547 22414.9140625 2.48 | 2812 277.118377685547 22414.9140625 2.48 |
| 5594 410.809265136719 3803.65478515625 0.42 | 2813 410.809265136719 3803.65478515625 0.42 |
| 5595 | 2814 |
| 5596 RECORD_TITLE: MZ:423.1908 | RT:84.2 | grpid:664 | file:NA | |
| 5597 MS$FOCUSED_ION: PRECURSOR_M/Z 423.190755443941 | |
| 5598 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 | |
| 5599 XCMS groupid (grpid): 664 | |
| 5600 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5601 PK$NUM_PEAK: 25 | |
| 5602 PK$PEAK: m/z int. rel.int. | |
| 5603 101.071411132812 46732.83203125 5.16 | |
| 5604 102.055374145508 88983.625 9.83 | |
| 5605 103.054443359375 24983.80859375 2.76 | |
| 5606 105.530052185059 3419.52978515625 0.38 | |
| 5607 110.183616638184 3628.88647460938 0.4 | |
| 5608 120.081016540527 905217.25 100 | |
| 5609 129.066268920898 31941.962890625 3.53 | |
| 5610 130.049987792969 396376.3125 43.79 | |
| 5611 131.049407958984 5914.91162109375 0.65 | |
| 5612 147.076416015625 280807.375 31.02 | |
| 5613 172.265274047852 3955.26342773438 0.44 | |
| 5614 186.091079711914 48435.109375 5.35 | |
| 5615 195.076812744141 14915.5986328125 1.65 | |
| 5616 204.101287841797 5574.19091796875 0.62 | |
| 5617 206.006805419922 3512.30712890625 0.39 | |
| 5618 213.086929321289 7143.0380859375 0.79 | |
| 5619 223.071517944336 24099.07421875 2.66 | |
| 5620 231.111724853516 4500.54296875 0.5 | |
| 5621 240.097366333008 25176.005859375 2.78 | |
| 5622 241.081497192383 67114.1484375 7.41 | |
| 5623 249.123306274414 153377.234375 16.94 | |
| 5624 258.108184814453 74684.1171875 8.25 | |
| 5625 276.116180419922 4201.1201171875 0.46 | |
| 5626 277.118377685547 22414.9140625 2.48 | |
| 5627 410.809265136719 3803.65478515625 0.42 | |
| 5628 | |
| 5629 RECORD_TITLE: MZ:429.1368 | RT:71.2 | grpid:678 | file:NA | 2815 RECORD_TITLE: MZ:429.1368 | RT:71.2 | grpid:678 | file:NA |
| 5630 MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444 | 2816 MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444 |
| 5631 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434 | 2817 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434 |
| 5632 XCMS groupid (grpid): 678 | 2818 XCMS groupid (grpid): 678 |
| 5633 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2819 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5634 PK$NUM_PEAK: 58 | 2820 PK$NUM_PEAK: 58 |
| 5635 PK$PEAK: m/z int. rel.int. | 2821 PK$PEAK: m/z int. rel.int. |
| 5636 100.022125244141 4625.44140625 0.65 | 2822 100.022125244141 4625.44140625 0.65 |
| 5637 100.719017028809 3763.74951171875 0.53 | 2823 100.719017028809 3763.74951171875 0.53 |
| 5638 107.576271057129 4735.4990234375 0.67 | 2824 107.576271057129 4735.4990234375 0.67 |
| 5690 328.149810791016 4235.30517578125 0.6 | 2876 328.149810791016 4235.30517578125 0.6 |
| 5691 429.137390136719 48311.54296875 6.8 | 2877 429.137390136719 48311.54296875 6.8 |
| 5692 429.18994140625 6761.64990234375 0.95 | 2878 429.18994140625 6761.64990234375 0.95 |
| 5693 443.335296630859 3914.4736328125 0.55 | 2879 443.335296630859 3914.4736328125 0.55 |
| 5694 | 2880 |
| 5695 RECORD_TITLE: MZ:429.1368 | RT:71.2 | grpid:678 | file:NA | |
| 5696 MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444 | |
| 5697 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434 | |
| 5698 XCMS groupid (grpid): 678 | |
| 5699 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5700 PK$NUM_PEAK: 58 | |
| 5701 PK$PEAK: m/z int. rel.int. | |
| 5702 100.022125244141 4625.44140625 0.65 | |
| 5703 100.719017028809 3763.74951171875 0.53 | |
| 5704 107.576271057129 4735.4990234375 0.67 | |
| 5705 109.076524734497 20480.990234375 2.88 | |
| 5706 110.071723937988 14743.712890625 2.07 | |
| 5707 110.401245117188 3418.24340820312 0.48 | |
| 5708 112.021869659424 79995.734375 11.25 | |
| 5709 113.366981506348 3165.77563476562 0.45 | |
| 5710 114.024883270264 11422.1201171875 1.61 | |
| 5711 114.037574768066 11824.7127685547 1.66 | |
| 5712 115.541198730469 3385.00244140625 0.48 | |
| 5713 121.469749450684 3152.97924804688 0.44 | |
| 5714 122.071641921997 6516.54113769531 0.92 | |
| 5715 126.233474731445 3327.49194335938 0.47 | |
| 5716 126.549896240234 3256.05395507812 0.46 | |
| 5717 127.032583236694 471138.859375 66.29 | |
| 5718 128.040386199951 710760.3125 100 | |
| 5719 129.048183441162 57302.4111328125 8.06 | |
| 5720 129.066558837891 4622.013671875 0.65 | |
| 5721 131.77490234375 3932.56909179688 0.55 | |
| 5722 136.077072143555 5147.11962890625 0.72 | |
| 5723 136.087074279785 21517.296875 3.03 | |
| 5724 137.094879150391 32409.6010742188 4.56 | |
| 5725 138.102600097656 28306.8862304688 3.98 | |
| 5726 139.032386779785 77151.568359375 10.85 | |
| 5727 140.118263244629 5251.27661132812 0.74 | |
| 5728 140.147064208984 3347.60473632812 0.47 | |
| 5729 141.048042297363 143646.43359375 20.21 | |
| 5730 142.019592285156 3923.31298828125 0.55 | |
| 5731 145.079452514648 3976.85620117188 0.56 | |
| 5732 155.081253051758 34531.5834960938 4.86 | |
| 5733 155.081878662109 42803.56640625 6.02 | |
| 5734 156.059150695801 3940.05224609375 0.55 | |
| 5735 158.311553955078 3326.94677734375 0.47 | |
| 5736 160.029987335205 27621.7407226562 3.89 | |
| 5737 160.364395141602 3934.6845703125 0.55 | |
| 5738 164.081844329834 6884.97021484375 0.97 | |
| 5739 167.027667999268 9330.1650390625 1.31 | |
| 5740 168.059448242188 6491.17895507812 0.91 | |
| 5741 169.067504882812 5221.84265136719 0.73 | |
| 5742 170.07458114624 154369.56640625 21.72 | |
| 5743 182.092395782471 375700.375 52.86 | |
| 5744 184.108131408691 22535.6166992188 3.17 | |
| 5745 185.037769317627 83031.794921875 11.68 | |
| 5746 192.237030029297 4258.80029296875 0.6 | |
| 5747 200.7451171875 3717.48681640625 0.52 | |
| 5748 208.914321899414 3762.73291015625 0.53 | |
| 5749 212.58805847168 3808.69091796875 0.54 | |
| 5750 214.06413269043 40119.607421875 5.64 | |
| 5751 215.071594238281 30723.140625 4.32 | |
| 5752 215.072902679443 19633.1513671875 2.76 | |
| 5753 216.080024719238 240310.37890625 33.81 | |
| 5754 217.347595214844 4307.0146484375 0.61 | |
| 5755 220.97737121582 4221.736328125 0.59 | |
| 5756 328.149810791016 4235.30517578125 0.6 | |
| 5757 429.137390136719 48311.54296875 6.8 | |
| 5758 429.18994140625 6761.64990234375 0.95 | |
| 5759 443.335296630859 3914.4736328125 0.55 | |
| 5760 | |
| 5761 RECORD_TITLE: MZ:436.215 | RT:113.6 | grpid:699 | file:NA | 2881 RECORD_TITLE: MZ:436.215 | RT:113.6 | grpid:699 | file:NA |
| 5762 MS$FOCUSED_ION: PRECURSOR_M/Z 436.215002909334 | 2882 MS$FOCUSED_ION: PRECURSOR_M/Z 436.215002909334 |
| 5763 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 | 2883 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
| 5764 XCMS groupid (grpid): 699 | 2884 XCMS groupid (grpid): 699 |
| 5765 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2885 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5766 PK$NUM_PEAK: 10 | 2886 PK$NUM_PEAK: 10 |
| 5767 PK$PEAK: m/z int. rel.int. | 2887 PK$PEAK: m/z int. rel.int. |
| 5768 114.550689697266 3498.04321289062 3.12 | 2888 114.550689697266 3498.04321289062 3.12 |
| 5769 126.055046081543 4136.9013671875 3.69 | 2889 126.055046081543 4136.9013671875 3.69 |
| 5770 198.05632019043 3261.10668945312 2.91 | 2890 198.05632019043 3261.10668945312 2.91 |
| 5774 308.725555419922 3355.22119140625 3 | 2894 308.725555419922 3355.22119140625 3 |
| 5775 391.194641113281 36035.12109375 32.18 | 2895 391.194641113281 36035.12109375 32.18 |
| 5776 419.187896728516 22114.62890625 19.75 | 2896 419.187896728516 22114.62890625 19.75 |
| 5777 436.216918945312 111983.46875 100 | 2897 436.216918945312 111983.46875 100 |
| 5778 | 2898 |
| 5779 RECORD_TITLE: MZ:436.215 | RT:113.6 | grpid:699 | file:NA | |
| 5780 MS$FOCUSED_ION: PRECURSOR_M/Z 436.215002909334 | |
| 5781 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 | |
| 5782 XCMS groupid (grpid): 699 | |
| 5783 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5784 PK$NUM_PEAK: 10 | |
| 5785 PK$PEAK: m/z int. rel.int. | |
| 5786 114.550689697266 3498.04321289062 3.12 | |
| 5787 126.055046081543 4136.9013671875 3.69 | |
| 5788 198.05632019043 3261.10668945312 2.91 | |
| 5789 211.105438232422 20831.2734375 18.6 | |
| 5790 238.933578491211 3566.369140625 3.18 | |
| 5791 308.157409667969 49625.7265625 44.32 | |
| 5792 308.725555419922 3355.22119140625 3 | |
| 5793 391.194641113281 36035.12109375 32.18 | |
| 5794 419.187896728516 22114.62890625 19.75 | |
| 5795 436.216918945312 111983.46875 100 | |
| 5796 | |
| 5797 RECORD_TITLE: MZ:437.262 | RT:82.7 | grpid:705 | file:NA | 2899 RECORD_TITLE: MZ:437.262 | RT:82.7 | grpid:705 | file:NA |
| 5798 MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482 | 2900 MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482 |
| 5799 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066 | 2901 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066 |
| 5800 XCMS groupid (grpid): 705 | 2902 XCMS groupid (grpid): 705 |
| 5801 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2903 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5802 PK$NUM_PEAK: 21 | 2904 PK$NUM_PEAK: 21 |
| 5803 PK$PEAK: m/z int. rel.int. | 2905 PK$PEAK: m/z int. rel.int. |
| 5804 101.581962585449 3264.87109375 10.2 | 2906 101.581962585449 3264.87109375 10.2 |
| 5805 116.071166992188 3482.65063476562 10.88 | 2907 116.071166992188 3482.65063476562 10.88 |
| 5806 132.101989746094 22861.818359375 71.43 | 2908 132.101989746094 22861.818359375 71.43 |
| 5821 338.132110595703 21197.6826171875 66.23 | 2923 338.132110595703 21197.6826171875 66.23 |
| 5822 434.605041503906 3691.54809570312 11.53 | 2924 434.605041503906 3691.54809570312 11.53 |
| 5823 437.200073242188 32005.328125 100 | 2925 437.200073242188 32005.328125 100 |
| 5824 437.202575683594 31969.298828125 99.89 | 2926 437.202575683594 31969.298828125 99.89 |
| 5825 | 2927 |
| 5826 RECORD_TITLE: MZ:437.262 | RT:82.7 | grpid:705 | file:NA | |
| 5827 MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482 | |
| 5828 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066 | |
| 5829 XCMS groupid (grpid): 705 | |
| 5830 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5831 PK$NUM_PEAK: 21 | |
| 5832 PK$PEAK: m/z int. rel.int. | |
| 5833 101.581962585449 3264.87109375 10.2 | |
| 5834 116.071166992188 3482.65063476562 10.88 | |
| 5835 132.101989746094 22861.818359375 71.43 | |
| 5836 140.506622314453 3661.59790039062 11.44 | |
| 5837 147.764419555664 3555.626953125 11.11 | |
| 5838 166.32194519043 3513.9169921875 10.98 | |
| 5839 173.128684997559 15047.4008789062 47.02 | |
| 5840 190.630355834961 3462.4130859375 10.82 | |
| 5841 219.13419342041 18938.3564453125 59.17 | |
| 5842 223.021774291992 3237.18212890625 10.11 | |
| 5843 237.121078491211 10533.7990722656 32.91 | |
| 5844 241.07926940918 10459.0668945312 32.68 | |
| 5845 272.117065429688 3352.75439453125 10.48 | |
| 5846 272.986541748047 3474.1796875 10.86 | |
| 5847 298.806793212891 3269.32861328125 10.21 | |
| 5848 319.409149169922 3631.1552734375 11.35 | |
| 5849 328.813140869141 3904.8525390625 12.2 | |
| 5850 338.132110595703 21197.6826171875 66.23 | |
| 5851 434.605041503906 3691.54809570312 11.53 | |
| 5852 437.200073242188 32005.328125 100 | |
| 5853 437.202575683594 31969.298828125 99.89 | |
| 5854 | |
| 5855 RECORD_TITLE: MZ:452.192 | RT:112.8 | grpid:739 | file:NA | 2928 RECORD_TITLE: MZ:452.192 | RT:112.8 | grpid:739 | file:NA |
| 5856 MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994 | 2929 MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994 |
| 5857 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446 | 2930 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446 |
| 5858 XCMS groupid (grpid): 739 | 2931 XCMS groupid (grpid): 739 |
| 5859 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2932 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5860 PK$NUM_PEAK: 9 | 2933 PK$NUM_PEAK: 9 |
| 5861 PK$PEAK: m/z int. rel.int. | 2934 PK$PEAK: m/z int. rel.int. |
| 5862 102.97029876709 3784.47021484375 8.69 | 2935 102.97029876709 3784.47021484375 8.69 |
| 5863 104.049896240234 3122.90185546875 7.17 | 2936 104.049896240234 3122.90185546875 7.17 |
| 5864 116.335182189941 3076.12817382812 7.07 | 2937 116.335182189941 3076.12817382812 7.07 |
| 5867 183.460662841797 3233.1337890625 7.43 | 2940 183.460662841797 3233.1337890625 7.43 |
| 5868 242.185913085938 4649.87841796875 10.68 | 2941 242.185913085938 4649.87841796875 10.68 |
| 5869 431.172515869141 3883.38818359375 8.92 | 2942 431.172515869141 3883.38818359375 8.92 |
| 5870 452.189651489258 43539.763671875 100 | 2943 452.189651489258 43539.763671875 100 |
| 5871 | 2944 |
| 5872 RECORD_TITLE: MZ:452.192 | RT:112.8 | grpid:739 | file:NA | |
| 5873 MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994 | |
| 5874 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446 | |
| 5875 XCMS groupid (grpid): 739 | |
| 5876 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5877 PK$NUM_PEAK: 9 | |
| 5878 PK$PEAK: m/z int. rel.int. | |
| 5879 102.97029876709 3784.47021484375 8.69 | |
| 5880 104.049896240234 3122.90185546875 7.17 | |
| 5881 116.335182189941 3076.12817382812 7.07 | |
| 5882 116.576026916504 2942.82885742188 6.76 | |
| 5883 173.128524780273 11933.6540527344 27.41 | |
| 5884 183.460662841797 3233.1337890625 7.43 | |
| 5885 242.185913085938 4649.87841796875 10.68 | |
| 5886 431.172515869141 3883.38818359375 8.92 | |
| 5887 452.189651489258 43539.763671875 100 | |
| 5888 | |
| 5889 RECORD_TITLE: MZ:461.2071 | RT:76.5 | grpid:757 | file:NA | 2945 RECORD_TITLE: MZ:461.2071 | RT:76.5 | grpid:757 | file:NA |
| 5890 MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101 | 2946 MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101 |
| 5891 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 | 2947 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
| 5892 XCMS groupid (grpid): 757 | 2948 XCMS groupid (grpid): 757 |
| 5893 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2949 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5894 PK$NUM_PEAK: 10 | 2950 PK$NUM_PEAK: 10 |
| 5895 PK$PEAK: m/z int. rel.int. | 2951 PK$PEAK: m/z int. rel.int. |
| 5896 108.938446044922 3487.57153320312 0.24 | 2952 108.938446044922 3487.57153320312 0.24 |
| 5897 110.10814666748 3973.40063476562 0.28 | 2953 110.10814666748 3973.40063476562 0.28 |
| 5898 112.037200927734 64088.408203125 4.45 | 2954 112.037200927734 64088.408203125 4.45 |
| 5902 194.078971862793 5477.90405273438 0.38 | 2958 194.078971862793 5477.90405273438 0.38 |
| 5903 224.089454650879 63665.341796875 4.42 | 2959 224.089454650879 63665.341796875 4.42 |
| 5904 242.099769592285 1441747.6875 100 | 2960 242.099769592285 1441747.6875 100 |
| 5905 483.839416503906 4609.6552734375 0.32 | 2961 483.839416503906 4609.6552734375 0.32 |
| 5906 | 2962 |
| 5907 RECORD_TITLE: MZ:461.2071 | RT:76.5 | grpid:757 | file:NA | |
| 5908 MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101 | |
| 5909 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 | |
| 5910 XCMS groupid (grpid): 757 | |
| 5911 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5912 PK$NUM_PEAK: 10 | |
| 5913 PK$PEAK: m/z int. rel.int. | |
| 5914 108.938446044922 3487.57153320312 0.24 | |
| 5915 110.10814666748 3973.40063476562 0.28 | |
| 5916 112.037200927734 64088.408203125 4.45 | |
| 5917 143.304336547852 4037.703125 0.28 | |
| 5918 150.591278076172 5008.4482421875 0.35 | |
| 5919 153.052314758301 41625.958984375 2.89 | |
| 5920 194.078971862793 5477.90405273438 0.38 | |
| 5921 224.089454650879 63665.341796875 4.42 | |
| 5922 242.099769592285 1441747.6875 100 | |
| 5923 483.839416503906 4609.6552734375 0.32 | |
| 5924 | |
| 5925 RECORD_TITLE: MZ:462.2212 | RT:57.7 | grpid:759 | file:NA | 2963 RECORD_TITLE: MZ:462.2212 | RT:57.7 | grpid:759 | file:NA |
| 5926 MS$FOCUSED_ION: PRECURSOR_M/Z 462.22122959389 | 2964 MS$FOCUSED_ION: PRECURSOR_M/Z 462.22122959389 |
| 5927 AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356 | 2965 AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356 |
| 5928 XCMS groupid (grpid): 759 | 2966 XCMS groupid (grpid): 759 |
| 5929 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 2967 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 5930 PK$NUM_PEAK: 33 | 2968 PK$NUM_PEAK: 33 |
| 5931 PK$PEAK: m/z int. rel.int. | 2969 PK$PEAK: m/z int. rel.int. |
| 5932 102.055290222168 25408.091796875 7.69 | 2970 102.055290222168 25408.091796875 7.69 |
| 5933 114.073616027832 4833.80419921875 1.46 | 2971 114.073616027832 4833.80419921875 1.46 |
| 5934 115.087074279785 4629.81689453125 1.4 | 2972 115.087074279785 4629.81689453125 1.4 |
| 5961 272.124145507812 107939.2109375 32.66 | 2999 272.124145507812 107939.2109375 32.66 |
| 5962 274.102722167969 5811.99951171875 1.76 | 3000 274.102722167969 5811.99951171875 1.76 |
| 5963 288.119079589844 46286.41015625 14.01 | 3001 288.119079589844 46286.41015625 14.01 |
| 5964 359.028900146484 14643.9267578125 4.43 | 3002 359.028900146484 14643.9267578125 4.43 |
| 5965 | 3003 |
| 5966 RECORD_TITLE: MZ:462.2212 | RT:57.7 | grpid:759 | file:NA | |
| 5967 MS$FOCUSED_ION: PRECURSOR_M/Z 462.22122959389 | |
| 5968 AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356 | |
| 5969 XCMS groupid (grpid): 759 | |
| 5970 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 5971 PK$NUM_PEAK: 33 | |
| 5972 PK$PEAK: m/z int. rel.int. | |
| 5973 102.055290222168 25408.091796875 7.69 | |
| 5974 114.073616027832 4833.80419921875 1.46 | |
| 5975 115.087074279785 4629.81689453125 1.4 | |
| 5976 116.070701599121 7154.1357421875 2.16 | |
| 5977 118.086708068848 16256.9169921875 4.92 | |
| 5978 120.065902709961 45274.0078125 13.7 | |
| 5979 127.086898803711 6351.52294921875 1.92 | |
| 5980 129.102325439453 330451.9375 100 | |
| 5981 130.050109863281 20902.541015625 6.33 | |
| 5982 139.086563110352 4282.58251953125 1.3 | |
| 5983 141.065887451172 19794.552734375 5.99 | |
| 5984 143.081634521484 4180.470703125 1.27 | |
| 5985 145.060836791992 12183.693359375 3.69 | |
| 5986 155.082183837891 6239.6240234375 1.89 | |
| 5987 155.117782592773 16064.8671875 4.86 | |
| 5988 157.097106933594 126526.3125 38.29 | |
| 5989 159.076431274414 88771.7109375 26.86 | |
| 5990 169.824691772461 3394.9814453125 1.03 | |
| 5991 173.09196472168 47060.4453125 14.24 | |
| 5992 175.107482910156 14841.31640625 4.49 | |
| 5993 183.076766967773 6105.44970703125 1.85 | |
| 5994 183.113021850586 14382.08203125 4.35 | |
| 5995 187.071426391602 43003.76171875 13.01 | |
| 5996 187.107849121094 41273.53125 12.49 | |
| 5997 191.102890014648 6334.61572265625 1.92 | |
| 5998 215.102142333984 27825.716796875 8.42 | |
| 5999 252.097564697266 4154.2255859375 1.26 | |
| 6000 262.139984130859 4305.97509765625 1.3 | |
| 6001 270.107604980469 18771.7109375 5.68 | |
| 6002 272.124145507812 107939.2109375 32.66 | |
| 6003 274.102722167969 5811.99951171875 1.76 | |
| 6004 288.119079589844 46286.41015625 14.01 | |
| 6005 359.028900146484 14643.9267578125 4.43 | |
| 6006 | |
| 6007 RECORD_TITLE: MZ:476.1907 | RT:81.2 | grpid:787 | file:NA | 3004 RECORD_TITLE: MZ:476.1907 | RT:81.2 | grpid:787 | file:NA |
| 6008 MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819 | 3005 MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819 |
| 6009 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 | 3006 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
| 6010 XCMS groupid (grpid): 787 | 3007 XCMS groupid (grpid): 787 |
| 6011 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 3008 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 6012 PK$NUM_PEAK: 35 | 3009 PK$NUM_PEAK: 35 |
| 6013 PK$PEAK: m/z int. rel.int. | 3010 PK$PEAK: m/z int. rel.int. |
| 6014 102.055366516113 21051.8110351562 10.42 | 3011 102.055366516113 21051.8110351562 10.42 |
| 6015 102.06177520752 3275.78784179688 1.62 | 3012 102.06177520752 3275.78784179688 1.62 |
| 6016 103.278198242188 3364.96044921875 1.67 | 3013 103.278198242188 3364.96044921875 1.67 |
| 6045 302.142250061035 25419.3266601562 12.58 | 3042 302.142250061035 25419.3266601562 12.58 |
| 6046 360.640808105469 4196.35400390625 2.08 | 3043 360.640808105469 4196.35400390625 2.08 |
| 6047 396.660095214844 3955.03051757812 1.96 | 3044 396.660095214844 3955.03051757812 1.96 |
| 6048 480.125091552734 3905.12133789062 1.93 | 3045 480.125091552734 3905.12133789062 1.93 |
| 6049 | 3046 |
| 6050 RECORD_TITLE: MZ:476.1907 | RT:81.2 | grpid:787 | file:NA | |
| 6051 MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819 | |
| 6052 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 | |
| 6053 XCMS groupid (grpid): 787 | |
| 6054 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 6055 PK$NUM_PEAK: 35 | |
| 6056 PK$PEAK: m/z int. rel.int. | |
| 6057 102.055366516113 21051.8110351562 10.42 | |
| 6058 102.06177520752 3275.78784179688 1.62 | |
| 6059 103.278198242188 3364.96044921875 1.67 | |
| 6060 103.568260192871 3338.787109375 1.65 | |
| 6061 109.02855682373 5442.65234375 2.69 | |
| 6062 112.885681152344 3330.005859375 1.65 | |
| 6063 116.070863723755 19604.572265625 9.7 | |
| 6064 117.074157714844 4382.4052734375 2.17 | |
| 6065 126.054988861084 42696.5297851562 21.13 | |
| 6066 127.058540344238 15406.0958251953 7.63 | |
| 6067 130.050010681152 17191.7501220703 8.51 | |
| 6068 131.052932739258 3582.9775390625 1.77 | |
| 6069 138.054950714111 202033.9140625 100 | |
| 6070 139.058448791504 100415.36328125 49.7 | |
| 6071 144.065536499023 52288.6015625 25.88 | |
| 6072 145.068897247314 22610.4614257812 11.19 | |
| 6073 148.060371398926 65520.4560546875 32.43 | |
| 6074 149.063915252686 19582.2504882812 9.69 | |
| 6075 164.992126464844 3413.22827148438 1.69 | |
| 6076 168.065673828125 34472.0927734375 17.06 | |
| 6077 169.069103240967 22984.6337890625 11.38 | |
| 6078 186.076126098633 28176.646484375 13.95 | |
| 6079 187.079540252686 18965.4482421875 9.39 | |
| 6080 199.405822753906 3979.18115234375 1.97 | |
| 6081 218.489898681641 3360.4560546875 1.66 | |
| 6082 241.122634887695 3873.60595703125 1.92 | |
| 6083 259.666381835938 4058.85961914062 2.01 | |
| 6084 267.132629394531 3835.806640625 1.9 | |
| 6085 276.075790405273 5173.6982421875 2.56 | |
| 6086 292.791442871094 3937.0400390625 1.95 | |
| 6087 301.13948059082 13626.3889160156 6.74 | |
| 6088 302.142250061035 25419.3266601562 12.58 | |
| 6089 360.640808105469 4196.35400390625 2.08 | |
| 6090 396.660095214844 3955.03051757812 1.96 | |
| 6091 480.125091552734 3905.12133789062 1.93 | |
| 6092 | |
| 6093 RECORD_TITLE: MZ:487.1812 | RT:66.7 | grpid:812 | file:NA | 3047 RECORD_TITLE: MZ:487.1812 | RT:66.7 | grpid:812 | file:NA |
| 6094 MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989 | 3048 MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989 |
| 6095 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 | 3049 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
| 6096 XCMS groupid (grpid): 812 | 3050 XCMS groupid (grpid): 812 |
| 6097 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 3051 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 6098 PK$NUM_PEAK: 7 | 3052 PK$NUM_PEAK: 7 |
| 6099 PK$PEAK: m/z int. rel.int. | 3053 PK$PEAK: m/z int. rel.int. |
| 6100 103.690208435059 5716.66162109375 0.05 | 3054 103.690208435059 5716.66162109375 0.05 |
| 6101 112.050846099854 11784687 100 | 3055 112.050846099854 11784687 100 |
| 6102 174.621200561523 5244.80419921875 0.04 | 3056 174.621200561523 5244.80419921875 0.04 |
| 6103 200.266555786133 5990.37744140625 0.05 | 3057 200.266555786133 5990.37744140625 0.05 |
| 6104 244.092681884766 114135.3828125 0.97 | 3058 244.092681884766 114135.3828125 0.97 |
| 6105 294.906677246094 6473.75732421875 0.05 | 3059 294.906677246094 6473.75732421875 0.05 |
| 6106 448.8837890625 6051.86181640625 0.05 | 3060 448.8837890625 6051.86181640625 0.05 |
| 6107 | 3061 |
| 6108 RECORD_TITLE: MZ:487.1812 | RT:66.7 | grpid:812 | file:NA | |
| 6109 MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989 | |
| 6110 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 | |
| 6111 XCMS groupid (grpid): 812 | |
| 6112 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 6113 PK$NUM_PEAK: 7 | |
| 6114 PK$PEAK: m/z int. rel.int. | |
| 6115 103.690208435059 5716.66162109375 0.05 | |
| 6116 112.050846099854 11784687 100 | |
| 6117 174.621200561523 5244.80419921875 0.04 | |
| 6118 200.266555786133 5990.37744140625 0.05 | |
| 6119 244.092681884766 114135.3828125 0.97 | |
| 6120 294.906677246094 6473.75732421875 0.05 | |
| 6121 448.8837890625 6051.86181640625 0.05 | |
| 6122 | |
| 6123 RECORD_TITLE: MZ:494.1968 | RT:49.9 | grpid:830 | file:NA | 3062 RECORD_TITLE: MZ:494.1968 | RT:49.9 | grpid:830 | file:NA |
| 6124 MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669 | 3063 MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669 |
| 6125 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528 | 3064 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528 |
| 6126 XCMS groupid (grpid): 830 | 3065 XCMS groupid (grpid): 830 |
| 6127 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 3066 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 6128 PK$NUM_PEAK: 43 | 3067 PK$NUM_PEAK: 43 |
| 6129 PK$PEAK: m/z int. rel.int. | 3068 PK$PEAK: m/z int. rel.int. |
| 6130 101.02392578125 4665.49853515625 0.46 | 3069 101.02392578125 4665.49853515625 0.46 |
| 6131 102.055374145508 147275.96875 14.46 | 3070 102.055374145508 147275.96875 14.46 |
| 6132 102.392883300781 3496.21337890625 0.34 | 3071 102.392883300781 3496.21337890625 0.34 |
| 6169 332.25048828125 4750.3056640625 0.47 | 3108 332.25048828125 4750.3056640625 0.47 |
| 6170 342.581665039062 3982.03881835938 0.39 | 3109 342.581665039062 3982.03881835938 0.39 |
| 6171 376.824645996094 3809.353515625 0.37 | 3110 376.824645996094 3809.353515625 0.37 |
| 6172 426.685913085938 4104.65283203125 0.4 | 3111 426.685913085938 4104.65283203125 0.4 |
| 6173 | 3112 |
| 6174 RECORD_TITLE: MZ:494.1968 | RT:49.9 | grpid:830 | file:NA | |
| 6175 MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669 | |
| 6176 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528 | |
| 6177 XCMS groupid (grpid): 830 | |
| 6178 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 6179 PK$NUM_PEAK: 43 | |
| 6180 PK$PEAK: m/z int. rel.int. | |
| 6181 101.02392578125 4665.49853515625 0.46 | |
| 6182 102.055374145508 147275.96875 14.46 | |
| 6183 102.392883300781 3496.21337890625 0.34 | |
| 6184 108.04434967041 4591.63720703125 0.45 | |
| 6185 108.044906616211 7338.142578125 0.72 | |
| 6186 109.028678894043 35977.96484375 3.53 | |
| 6187 110.060516357422 4515.4990234375 0.44 | |
| 6188 112.050483703613 5202.08544921875 0.51 | |
| 6189 114.055294036865 8047.6591796875 0.79 | |
| 6190 116.070938110352 148026.921875 14.53 | |
| 6191 126.055130004883 383223.53125 37.62 | |
| 6192 127.039051055908 19638.7255859375 1.93 | |
| 6193 130.049903869629 124625.0859375 12.23 | |
| 6194 131.064346313477 4367.2939453125 0.43 | |
| 6195 133.538024902344 3557.1923828125 0.35 | |
| 6196 134.355972290039 4310.93603515625 0.42 | |
| 6197 136.169921875 4170.79638671875 0.41 | |
| 6198 138.054985046387 1018626.90625 100 | |
| 6199 140.379119873047 4150.32763671875 0.41 | |
| 6200 144.054061889648 6955.7412109375 0.68 | |
| 6201 144.065574645996 275421.6875 27.04 | |
| 6202 148.060394287109 523997.53125 51.44 | |
| 6203 150.054046630859 3918.6318359375 0.38 | |
| 6204 168.051147460938 6748.05224609375 0.66 | |
| 6205 168.065574645996 174448.5546875 17.13 | |
| 6206 186.076110839844 123347.046875 12.11 | |
| 6207 197.289779663086 4408.47607421875 0.43 | |
| 6208 219.097625732422 8514.79125976562 0.84 | |
| 6209 230.102722167969 7866.95288085938 0.77 | |
| 6210 239.558517456055 4159.935546875 0.41 | |
| 6211 258.096481323242 12516.89453125 1.23 | |
| 6212 285.323272705078 4496.87939453125 0.44 | |
| 6213 291.116821289062 6737.97021484375 0.66 | |
| 6214 291.118927001953 8675.626953125 0.85 | |
| 6215 301.107269287109 5462.4970703125 0.54 | |
| 6216 301.139266967773 89015.59375 8.74 | |
| 6217 302.220367431641 3734.84155273438 0.37 | |
| 6218 319.864624023438 4290.947265625 0.42 | |
| 6219 329.133895874023 12967.8857421875 1.27 | |
| 6220 332.25048828125 4750.3056640625 0.47 | |
| 6221 342.581665039062 3982.03881835938 0.39 | |
| 6222 376.824645996094 3809.353515625 0.37 | |
| 6223 426.685913085938 4104.65283203125 0.4 | |
| 6224 | |
| 6225 RECORD_TITLE: MZ:498.1693 | RT:81.2 | grpid:840 | file:NA | 3113 RECORD_TITLE: MZ:498.1693 | RT:81.2 | grpid:840 | file:NA |
| 6226 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313 | 3114 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313 |
| 6227 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 | 3115 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
| 6228 XCMS groupid (grpid): 840 | 3116 XCMS groupid (grpid): 840 |
| 6229 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 3117 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 6230 PK$NUM_PEAK: 45 | 3118 PK$NUM_PEAK: 45 |
| 6231 PK$PEAK: m/z int. rel.int. | 3119 PK$PEAK: m/z int. rel.int. |
| 6232 101.778099060059 3795.03295898438 0.42 | 3120 101.778099060059 3795.03295898438 0.42 |
| 6233 106.049766540527 6611.89404296875 0.74 | 3121 106.049766540527 6611.89404296875 0.74 |
| 6234 109.610725402832 3484.1552734375 0.39 | 3122 109.610725402832 3484.1552734375 0.39 |
| 6273 369.126586914062 886075.9375 98.58 | 3161 369.126586914062 886075.9375 98.58 |
| 6274 452.164505004883 53825.01953125 5.99 | 3162 452.164505004883 53825.01953125 5.99 |
| 6275 480.157821655273 18973.7768554688 2.11 | 3163 480.157821655273 18973.7768554688 2.11 |
| 6276 498.169242858887 898832.592529297 100 | 3164 498.169242858887 898832.592529297 100 |
| 6277 | 3165 |
| 6278 RECORD_TITLE: MZ:498.1693 | RT:81.2 | grpid:840 | file:NA | |
| 6279 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313 | |
| 6280 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 | |
| 6281 XCMS groupid (grpid): 840 | |
| 6282 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 6283 PK$NUM_PEAK: 45 | |
| 6284 PK$PEAK: m/z int. rel.int. | |
| 6285 101.778099060059 3795.03295898438 0.42 | |
| 6286 106.049766540527 6611.89404296875 0.74 | |
| 6287 109.610725402832 3484.1552734375 0.39 | |
| 6288 110.071098327637 19380.7294921875 2.16 | |
| 6289 113.020816802979 9337.1875 1.04 | |
| 6290 126.054611206055 5812.5556640625 0.65 | |
| 6291 127.031745910645 4190.18701171875 0.47 | |
| 6292 136.075546264648 26832.8837890625 2.99 | |
| 6293 137.078796386719 9176.759765625 1.02 | |
| 6294 138.054496765137 22557.607421875 2.51 | |
| 6295 148.036193847656 6227.35693359375 0.69 | |
| 6296 159.81298828125 3442.19995117188 0.38 | |
| 6297 167.347625732422 4180.2548828125 0.47 | |
| 6298 170.04133605957 5330.70458984375 0.59 | |
| 6299 180.837631225586 3948.50952148438 0.44 | |
| 6300 184.057907104492 8015.86474609375 0.89 | |
| 6301 186.075622558594 4476.88330078125 0.5 | |
| 6302 188.469665527344 3955.94091796875 0.44 | |
| 6303 195.686859130859 3936.31909179688 0.44 | |
| 6304 200.988327026367 3759.4541015625 0.42 | |
| 6305 208.058097839355 58436.056640625 6.5 | |
| 6306 210.997604370117 4414.2978515625 0.49 | |
| 6307 214.955703735352 4026.87036132812 0.45 | |
| 6308 226.046966552734 7511.52294921875 0.84 | |
| 6309 226.068435668945 146951.8125 16.35 | |
| 6310 236.147369384766 6149.79077148438 0.68 | |
| 6311 241.538787841797 4289.0048828125 0.48 | |
| 6312 244.78190612793 4454.5654296875 0.5 | |
| 6313 276.721008300781 3612.77392578125 0.4 | |
| 6314 279.0947265625 24795.88671875 2.76 | |
| 6315 296.157531738281 4649.9521484375 0.52 | |
| 6316 297.103424072266 4021.5634765625 0.45 | |
| 6317 298.089447021484 615103.03125 68.43 | |
| 6318 308.5830078125 4018.92358398438 0.45 | |
| 6319 311.841857910156 3540.38208007812 0.39 | |
| 6320 313.098754882812 4193.3427734375 0.47 | |
| 6321 323.121139526367 466568.765625 51.91 | |
| 6322 351.116027832031 196796 21.89 | |
| 6323 368.141418457031 7687.5947265625 0.86 | |
| 6324 368.143646240234 8117.44580078125 0.9 | |
| 6325 369.124267578125 5257.81591796875 0.58 | |
| 6326 369.126586914062 886075.9375 98.58 | |
| 6327 452.164505004883 53825.01953125 5.99 | |
| 6328 480.157821655273 18973.7768554688 2.11 | |
| 6329 498.169242858887 898832.592529297 100 | |
| 6330 | |
| 6331 RECORD_TITLE: MZ:499.2505 | RT:129.3 | grpid:843 | file:NA | 3166 RECORD_TITLE: MZ:499.2505 | RT:129.3 | grpid:843 | file:NA |
| 6332 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464 | 3167 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464 |
| 6333 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086 | 3168 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086 |
| 6334 XCMS groupid (grpid): 843 | 3169 XCMS groupid (grpid): 843 |
| 6335 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | 3170 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.1 |
| 6336 PK$NUM_PEAK: 9 | 3171 PK$NUM_PEAK: 9 |
| 6337 PK$PEAK: m/z int. rel.int. | 3172 PK$PEAK: m/z int. rel.int. |
| 6338 110.034912109375 5403.05908203125 0.28 | 3173 110.034912109375 5403.05908203125 0.28 |
| 6339 118.086486816406 5748.27075195312 0.3 | 3174 118.086486816406 5748.27075195312 0.3 |
| 6340 119.035583496094 4770.26611328125 0.25 | 3175 119.035583496094 4770.26611328125 0.25 |
| 6343 185.164245605469 6015.66552734375 0.31 | 3178 185.164245605469 6015.66552734375 0.31 |
| 6344 188.177719116211 3627.47534179688 0.19 | 3179 188.177719116211 3627.47534179688 0.19 |
| 6345 231.170310974121 77430.171875 3.99 | 3180 231.170310974121 77430.171875 3.99 |
| 6346 473.909973144531 4030.2705078125 0.21 | 3181 473.909973144531 4030.2705078125 0.21 |
| 6347 | 3182 |
| 6348 RECORD_TITLE: MZ:499.2505 | RT:129.3 | grpid:843 | file:NA | |
| 6349 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464 | |
| 6350 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086 | |
| 6351 XCMS groupid (grpid): 843 | |
| 6352 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 | |
| 6353 PK$NUM_PEAK: 9 | |
| 6354 PK$PEAK: m/z int. rel.int. | |
| 6355 110.034912109375 5403.05908203125 0.28 | |
| 6356 118.086486816406 5748.27075195312 0.3 | |
| 6357 119.035583496094 4770.26611328125 0.25 | |
| 6358 137.045799255371 1940576.6875 100 | |
| 6359 143.80290222168 3752.88916015625 0.19 | |
| 6360 185.164245605469 6015.66552734375 0.31 | |
| 6361 188.177719116211 3627.47534179688 0.19 | |
| 6362 231.170310974121 77430.171875 3.99 | |
| 6363 473.909973144531 4030.2705078125 0.21 | |
| 6364 |