| # | RT [min] | Area | Int. Type | I | S/N | Chromatogram | Max. m/z | |
| 1 | 0.3 | 14319 | MolFeatur | 2290 | 25.4 | 158.9642 | ||
| 2 | 1.1 | 7552 | MolFeatur | 364 | 8.1 | 892.302 | ||
| 3 | 1.1 | 24660 | MolFeatur | 858 | 4.9 | 1297.4271 | ||
| 4 | 1.1 | 16541 | MolFeatur | 814 | 3.9 | 1135.3787 | ||
| 5 | 1.1 | 25047 | MolFeatur | 2021 | 7.7 | 325.1159 | ||
| 6 | 1.1 | 13410 | MolFeatur | 364 | 3.9 | 1378.9585 | ||
| 7 | 1.1 | 21376 | MolFeatur | 1240 | 5.8 | 973.3256 | ||
| 8 | 1.1 | 11438 | MolFeatur | 889 | 9.9 | 487.165 | ||
| 9 | 1.1 | 17711 | MolFeatur | 1216 | 13.5 | 649.221 | ||
| 10 | 1.3 | 46188 | MolFeatur | 2300 | 3.2 | 125.9873 | ||
| 11 | 1.3 | 11554 | MolFeatur | 595 | 3.3 | 153.0319 | ||
| 12 | 1.4 | 41690 | MolFeatur | 2138 | 7.8 | 143.998 | ||
| 13 | 1.4 | 78569 | AutoMS(n) | 5811 | 66.7 | AutoMSn (242.0010) | 218.9853 | |
| 14 | 1.8 | 50134 | AutoMS(n) | 9113 | 116 | AutoMSn (147.0776) | 147.0777 | |
| 15 | 1.9 | 49668 | AutoMS(n) | 5860 | 73 | AutoMSn (309.1324) | 325.1181 | |
| 16 | 1.9 | 222361 | AutoMS(n) | 14,913 | 72.4 | AutoMSn (163.0613) | 325.118 | |
| 17 | 1.9 | 462886 | AutoMS(n) | 63,448 | 664.5 | AutoMSn (325.1166) | 325.1181 | |
| 18 | 1.9 | 59405 | AutoMS(n) | 5810 | 63 | AutoMSn (203.0533) | 325.118 | |
| 19 | 1.9 | 3860 | MolFeatur | 2800 | 49.8 | 265.0968 | ||
| 20 | 1.9 | 781734 | MolFeatur | 41,601 | 425.2 | 325.118 | ||
| 21 | 2 | 79661 | AutoMS(n) | 8555 | 88.6 | AutoMSn (365.1092) | 163.0609 | |
| 22 | 2 | 11871 | MolFeatur | 8484 | 96.9 | 365.1103 | ||
| 23 | 2.1 | 66073 | MolFeatur | 1004 | 10.8 | 145.0516 | ||
| 24 | 2.1 | 170832 | MolFeatur | 1939 | 21.2 | 163.0615 | ||
| 25 | 2.2 | 188364 | MolFeatur | 1939 | 21.2 | 163.0614 | ||
| 26 | 2.2 | 35326 | MolFeatur | 459 | 3.7 | 973.3298 | ||
| 27 | 2.2 | 41514 | MolFeatur | 489 | 4.5 | 1054.3589 | ||
| 28 | 2.2 | 50877 | MolFeatur | 684 | 7.6 | 1135.3881 | ||
| 29 | 2.3 | 14168 | MolFeatur | 283 | 3.1 | 1236.9162 | ||
| 30 | 2.3 | 46769 | MolFeatur | 563 | 6.3 | 1216.9174 | ||
| 31 | 2.4 | 7917 | MolFeatur | 984 | 9.3 | 497.1519 | ||
| 32 | 2.4 | 6183 | MolFeatur | 612 | 6.6 | 198.0778 | ||
| 33 | 2.4 | 49982 | MolFeatur | 534 | 3 | 1297.4404 | ||
| 34 | 2.5 | 23467 | MolFeatur | 383 | 3.3 | 1378.9711 | ||
| 35 | 2.5 | 18898 | MolFeatur | 345 | 3.8 | 1387.9728 | ||
| 36 | 2.5 | 11851 | MolFeatur | 318 | 3.5 | 1460 | ||
| 37 | 2.5 | 8619 | MolFeatur | 319 | 3.8 | 1469.0016 | ||
| 38 | 2.6 | 12885 | MolFeatur | 1764 | 13.7 | 307.0905 | ||
| 39 | 2.6 | 29720 | AutoMS(n) | 7065 | 70.1 | AutoMSn (268.1092) | 136.064 | |
| 40 | 2.6 | 4844 | MolFeatur | 356 | 4 | 117.0568 | ||
| 41 | 2.6 | 17930 | MolFeatur | 954 | 10.4 | 163.062 | ||
| 42 | 2.7 | 24200 | MolFeatur | 1679 | 8.2 | 294.1604 | ||
| 43 | 2.8 | 24504 | MolFeatur | 749 | 3.3 | 261.0418 | ||
| 44 | 2.8 | 7757 | MolFeatur | 343 | 3.9 | 1423.7855 | ||
| 45 | 3 | 44717 | AutoMS(n) | 6350 | 70.9 | AutoMSn (130.0523) | 215.0195 | |
| 46 | 3.1 | 19762 | MolFeatur | 8840 | 62.6 | 230.994 | ||
| 47 | 3.1 | 131922 | AutoMS(n) | 8910 | 93 | AutoMSn (230.9921) | 215.0192 | |
| 48 | 3.1 | 316934 | AutoMS(n) | 24,784 | 315.4 | AutoMSn (407.0478) | 215.0193 | |
| 49 | 3.1 | 749494 | AutoMS(n) | 54,493 | 349.9 | AutoMSn (215.0178) | 215.0192 | |
| 50 | 3.1 | 102957 | AutoMS(n) | 7504 | 67.5 | AutoMSn (193.0361) | 215.0192 | |
| 51 | 3.1 | 103373 | AutoMS(n) | 6945 | 60.7 | AutoMSn (308.0244) | 215.0191 | |
| 52 | 3.1 | 95222 | MolFeatur | 4404 | 48.9 | 193.0371 | ||
| 53 | 3.2 | 301781 | MolFeatur | 12,438 | 138.2 | 215.0194 | ||
| 54 | 3.3 | 697424 | MolFeatur | 20,160 | 149.4 | 215.0191 | ||
| 55 | 3.7 | 10392 | MolFeatur | 1057 | 8.2 | 302.0911 | ||
| 56 | 3.7 | 8383 | MolFeatur | 909 | 7.5 | 166.0876 | ||
| 57 | 4.1 | 8535 | MolFeatur | 321 | 3.6 | 328.1426 | ||
| 58 | 4.4 | 11022 | MolFeatur | 710 | 4.9 | 277.1583 | ||
| 59 | 5.4 | 12378 | MolFeatur | 548 | 4.7 | 460.0383 | ||
| 60 | 5.4 | 20326 | MolFeatur | 925 | 10.3 | 358.1004 | ||
| 61 | 5.4 | 14422 | MolFeatur | 737 | 8.2 | 196.0475 | ||
| 62 | 6.4 | 11266 | MolFeatur | 873 | 9.5 | 311.1273 | ||
| 63 | 6.5 | 6705 | MolFeatur | 361 | 4 | 361.1123 | ||
| 64 | 7 | 3669 | MolFeatur | 315 | 3.5 | 389.1815 | ||
| 65 | 7.3 | 247093 | AutoMS(n) | 60,926 | 887.7 | AutoMSn (310.1649) | 251.0943 | |
| 66 | 7.4 | 3888 | MolFeatur | 306 | 3.4 | 896.4008 | ||
| 67 | 7.5 | 5669 | MolFeatur | 416 | 4.6 | 476.2284 | ||
| 68 | 7.6 | 1454 | MolFeatur | 396 | 6.8 | 703.351 | ||
| 69 | 7.6 | 297019 | AutoMS(n) | 60,619 | 549 | AutoMSn (589.2497) | 295.1332 | |
| 70 | 7.6 | 1613847 | AutoMS(n) | 294,260 | 3251.2 | AutoMSn (295.1298) | 295.1332 | |
| 71 | 7.6 | 27313 | AutoMS(n) | 5368 | 44.5 | AutoMSn (611.2289) | 295.1332 | |
| 72 | 7.6 | 36156 | MolFeatur | 17,093 | 379.8 | 590.255 | ||
| 73 | 7.6 | 1860691 | MolFeatur | 99,937 | 41.2 | 295.1331 | ||
| 74 | 7.7 | 8045 | MolFeatur | 5178 | 44.1 | 287.0581 | ||
| 75 | 7.7 | 94945 | AutoMS(n) | 9837 | 82.1 | AutoMSn (279.0470) | 295.1315 | |
| 76 | 7.7 | 39453 | AutoMS(n) | 5249 | 51.3 | AutoMSn (449.1033) | 295.1315 | |
| 77 | 7.7 | 143129 | MolFeatur | 6626 | 22.2 | 279.0498 | ||
| 78 | 7.8 | 39909 | MolFeatur | 1495 | 7.3 | 211.06 | ||
| 79 | 7.9 | 5869 | MolFeatur | 451 | 10 | 1156.4916 | ||
| 80 | 8 | 6146 | MolFeatur | 844 | 6.9 | 453.2078 | ||
| 81 | 8 | 8300 | MolFeatur | 459 | 5.1 | 247.0831 | ||
| 82 | 8 | 7534 | MolFeatur | 1513 | 16.8 | 195.0889 | ||
| 83 | 8.2 | 11008 | MolFeatur | 1359 | 30.2 | 765.2588 | ||
| 84 | 8.2 | 4727 | MolFeatur | 631 | 6.7 | 635.2532 | ||
| 85 | 8.3 | 49149 | AutoMS(n) | 7874 | 68.1 | AutoMSn (362.2406) | 362.2436 | |
| 86 | 8.3 | 28410 | AutoMS(n) | 6319 | 66.5 | AutoMSn (340.2600) | 322.2509 | |
| 87 | 8.4 | 16121 | MolFeatur | 1257 | 12 | 481.1332 | ||
| 88 | 8.6 | 2674 | MolFeatur | 317 | 3.5 | 787.2362 | ||
| 89 | 8.7 | 16551 | MolFeatur | 846 | 9.4 | 141.0545 | ||
| 90 | 8.8 | 3726 | MolFeatur | 1266 | 4.9 | 429.1734 | ||
| 91 | 8.8 | 103448 | AutoMS(n) | 12,920 | 116.5 | AutoMSn (475.3227) | 475.3273 | |
| 92 | 8.8 | 52265 | AutoMS(n) | 6608 | 60.4 | AutoMSn (453.3422) | 453.3441 | |
| 93 | 8.9 | 11754 | MolFeatur | 723 | 8 | 625.1779 | ||
| 94 | 8.9 | 76886 | AutoMS(n) | 11,827 | 104.2 | AutoMSn (566.4229) | 566.4304 | |
| 95 | 8.9 | 115283 | AutoMS(n) | 14,400 | 107.5 | AutoMSn (588.4059) | 588.4125 | |
| 96 | 8.9 | 57648 | AutoMS(n) | 9152 | 93.9 | AutoMSn (283.7180) | 588.4104 | |
| 97 | 9.1 | 410677 | AutoMS(n) | 72,826 | 766.7 | AutoMSn (340.2600) | 114.0925 | |
| 98 | 9.1 | 212347 | AutoMS(n) | 39,912 | 260.3 | AutoMSn (679.5096) | 679.5153 | |
| 99 | 9.1 | 175923 | AutoMS(n) | 28,600 | 176.1 | AutoMSn (701.4907) | 701.4972 | |
| 100 | 9.1 | 855268 | MolFeatur | 32,414 | 37.6 | 114.0925 | ||
| 101 | 9.2 | 257033 | MolFeatur | 9413 | 209.2 | 701.4972 | ||
| 102 | 9.2 | 549469 | AutoMS(n) | 69,035 | 633.7 | AutoMSn (396.8013) | 396.8049 | |
| 103 | 9.2 | 137634 | AutoMS(n) | 17,220 | 114.8 | AutoMSn (814.5751) | 814.5812 | |
| 104 | 9.2 | 122930 | AutoMS(n) | 15,509 | 123.3 | AutoMSn (792.5921) | 396.8049 | |
| 105 | 9.3 | AutoMS(n) | 5379 | AutoMS (n): TIC + MS2 (340.2587) | ||||
| 106 | 9.3 | 207392 | AutoMS(n) | 28,786 | 404.8 | AutoMSn (274.2738) | 274.2773 | |
| 107 | 9.3 | 50477 | AutoMS(n) | 6733 | 71.2 | AutoMSn (318.2989) | 274.277 | |
| 108 | 9.5 | 7283 | MolFeatur | 638 | 6.2 | 155.047 | ||
| 109 | 9.5 | 26104 | MolFeatur | 12,699 | 61.1 | 183.0786 | ||
| 110 | 9.5 | 75436 | AutoMS(n) | 12,781 | 152.9 | AutoMSn (183.0768) | 183.0786 | |
| 111 | 9.5 | 34410 | AutoMS(n) | 7875 | 97.2 | AutoMSn (290.2694) | 183.0787 | |
| 112 | 9.5 | 13638 | MolFeatur | 7844 | 151.7 | 290.2727 | ||
| 113 | 10 | 18573 | MolFeatur | 2371 | 3.6 | 389.2515 | ||
| 114 | 10.1 | 8421 | MolFeatur | 1406 | 15.6 | 304.3024 | ||
| 115 | 10.1 | 3945 | MolFeatur | 618 | 4.9 | 318.3028 | ||
| 116 | 10.4 | 8374 | MolFeatur | 998 | 7.1 | 188.0479 | ||
| 117 | 10.4 | 21705 | MolFeatur | 2542 | 3.8 | 447.2916 | ||
| 118 | 10.9 | 12476 | MolFeatur | 1335 | 5.2 | 505.3321 | ||
| 119 | 11.3 | 2349 | MolFeatur | 273 | 3 | 235.1688 | ||
| 120 | 11.5 | 8109 | MolFeatur | 621 | 6 | 343.2974 | ||
| 121 | 11.6 | 25151 | MolFeatur | 3668 | 40.8 | 288.2552 | ||
| 122 | 11.8 | 12750 | MolFeatur | 2517 | 36.2 | 225.1943 | ||
| 123 | 12.3 | 37695 | MolFeatur | 1329 | 14.8 | 239.1618 | ||
| 124 | 12.3 | 15554 | MolFeatur | 2306 | 25.6 | 199.1688 | ||
| 125 | 12.3 | 12451 | MolFeatur | 1074 | 8.8 | 209.1528 | ||
| 126 | 13 | 4050 | MolFeatur | 693 | 3.8 | 421.2309 | ||
| 127 | 13.2 | 25382 | MolFeatur | 3875 | 43.1 | 383.2033 | ||
| 128 | 13.2 | 115665 | MolFeatur | 544 | 6 | 506.3295 | ||
| 129 | 13.9 | 31914 | MolFeatur | 4401 | 48.9 | 425.2118 | ||
| 130 | 13.9 | 6244 | MolFeatur | 835 | 9.3 | 441.1855 | ||
| 131 | 14.2 | 5321 | MolFeatur | 726 | 8.1 | 370.2006 | ||
| 132 | 15 | 277893 | MolFeatur | 832 | 6.1 | 907.7663 | ||
| 133 | 15 | 138295 | MolFeatur | 484 | 3.9 | 404.3161 | ||
| 134 | 15.4 | 9501 | MolFeatur | 870 | 8 | 398.2321 | ||
| 135 | 16.2 | 324760 | MolFeatur | 933 | 5.5 | 758.5641 | ||
| 136 | 16.3 | 398562 | MolFeatur | 1304 | 6.2 | 603.5311 | ||
| 137 | 16.6 | 54641 | MolFeatur | 379 | 3.8 | 782.5625 | ||
| 138 | 16.7 | 257755 | MolFeatur | 1157 | 9 | 756.5476 | ||
| 139 | 17.3 | 43661 | MolFeatur | 317 | 3.4 | 897.7209 | ||
| 140 | 17.3 | 432817 | MolFeatur | 1504 | 10.7 | 923.74 | ||