No. tR (min) Name Formula Detected m/z Expected m/z M - X Error (ppm) Fragmentor information 1 0.9 Procyanidin dimmer 577.1334 577.1341 M – H -0.0007 125.0228, 151.0386 161.0230, 203.0706 289.0716, 407.0767 2 1.15 Neochlorogenic acid 353.0331 353.0867 M – H -0.0536 135.0434, 161.0591 173.0598, 179.0337 191.0553 3 1.49 Chlorogenic acid 353.0337 353.0867 M – H -0.0530 135.0436, 161.0231 173.0443,191.0549 4 1.5 Protocatechuic acid glucoside 315.0717 315.0711 M – H 0.0006 108.0200, 109.0279 152.0100, 153.0179 5 1.52 Gallic acid 169.0119 169.0132 M – H -0.0013 125.0228, 145.3992 151.0022 6 1.67 Catechins 289.2617 289.2613 M – H 0.0004 121.0280, 125.0230 137.0231, 161.0597 187.0391, 245.0817 7 2.04 Epicatechin 289.2618 289.2613 M – H 0.0005 125.0228, 161.0595 179.0337, 187.0391 245.0813, 271.0609 8 2.74 Isorhamnetin-3-pyranosearabinose-7-glucosyl-rhamnoside 755.6536 755.6526 M – H 0.0010 299.0200, 313.0343 314.0414, 609.1453 9 2.93 4-hydroxy-3-methoxybenzaldehyde 151.0389 151.0390 M – H - 0.000177.0397, 93.0328 109.0279, 121.0275 136.0150, 137.0217 151.0389 10 3.68 Kaempferol-3-o-furananose-7-O-rhamnosyl-glucoside 725.6232 725.6266 M – H -0.0034 255.0300, 283.0253 284.0330, 285.0393 575.1413 11 4 Vitexin-rhamnoside 577.5144 577.5124 M – H 0.0020 283.0609, 311.0560 341.0664, 353.0664 413.0873, 457.1156 12 4.18 Rutin 609.5162 609.5112 M – H 0.0050 211.0394, 255.0299 256.0332, 283.0238 301.0348 13 4.23 Kaempferol-3-O-furana-nose-7-O-rhamnose isomer 725.6237 725.6266 M – H -0.0029 255.0295, 284.0325 431.1031 14 4.86 Isoquercetin 463.3790 463.3697 M – H 0.0093 151.0025, 243.0296 255.0298, 271.0250 300.0278 15 5.5 Oxidized resveratrol 243.0656 243.0652 M – H 0.0004 157.0644, 160.0471 175.0752, 197.0597 201.0548, 225.0549 16 6.27 Salicylic acid 137.0229 137.0233 M – H -0.0004 93.0329, 108.0198 119.7794 17 6.53 Quercitrin 447.3834 447.3703 M – H 0.0131 151.0029, 255.0296 301.0356, 426.9522 18 6.94 Kaempferol-3-O-rutino-side 593.5119 593.5118 M – H 0.0001 255.0299, 267.0291 285.0405 19 7.9 Astragalin 447.3738 447.3703 M – H 0.0035 227.0346, 255.0299 284.0329, 285.0398 20 19.27 Quercetin 301.0352 301.0343 M – H 0.0009 121.0279, 149.0229 151.0022, 161.0227 178.9973, 245.0449 21 19.77 Vitexin 431.0972 431.0973 M – H -0.0001 269.0262, 283.0627 311.0527, 341.0764 22 20.12 Emodin-8-O-β -D-glucoside 431.1557 431.0973 M – H 0.0584 181.0859, 225.1121 269.1029, 413.1434 23 20.98 Apigenin 269.0454 269.0445 M – H 0.0009 159.0439, 181.0648 213.0542, 225.0545 227.0343, 241.0497 24 21.4 Kaempferol 285.2303 285.2295 M – H 0.0008 159.0440, 183.0448 211.0394, 227.0340 239.0346 25 21.64 Isorhamnetin 315.2507 315.2555 M – H -0.0048 151.0023, 163.0020 271.0254, 283.0234 300.0273 26 22.19 Rock acid 357.0607 357.0605 M – H 0.0002 112.6701, l21.0279 163.0184 27 27.41 Gallocatechin 305.2661 305.2607 M – H 0.0054 125.0962, 167.5970 287.1647 28 27.62 Gingergly eolipid A 675.3498 675.3586 M – H -0.0088 161.0440, 277.2170 397.1349, 415.14514 29 27.9 Epigallocatechin 305.0750 305.0656 M – H 0.0094 125.0957, 137.0593 179.1062, 287.1654 30 29.26 Gingergly eolipid B 677.3754 677.3743 M – H 0.0011 125.0230, 161.0444 179.0553, 279.2327 397.1341, 415.1567 31 29.95 1-linoleylglycero-2-phospho-ethanolanine 476.5684 476.5653 M – H 0.0031 140.0180, 196.0372 214.8795, 279.2330 32 38.06 Lysophosphatidic acid 435.2514 435.2506 M – H 0.0008 78.9573, 152.9945 33 42.19 Soya-cerebroside I 712.5367 712.5358 M – H 0.0009 179.0551, 271.2278 278.2481, 296.2603 532.4733, 550.4841 34 42.9 Linoleic acid phosphatidic acid 433.4959 433.4974 M – H -0.0015 78.9574, 152.9946 35 45.84 4-(2-dodecyl)-benzene-sulfonate 325.4846 325.4884 M – H -0.0038 119.0488, 170.0033 183.0112 36 51.25 4-(1-methyl-dodecyl)-benzene-sulfonic acid 339.5191 339.5150 M – H 0.0041 79.9554, 119.0487 170.0030, 225.0585 239.0742