Metabolite_name RefMet_name DW1 DW2 DW3 SW1 SW2 SW3 Factors - Treatment:control Treatment:control Treatment:control Treatment:Moisture treatment Treatment:Moisture treatment Treatment:Moisture treatment (10betaH_11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one 4847.6503 4402.6661 4349.7973 4043.7423 4713.2333 4701.0945 (10E_12Z)-9-HODE 111676.2672 114021.1749 111888.0869 131739.5225 147830.7717 136364.4215 10-Nitrolinoleic acid 10-Nitrolinoleic acid 293.2144 263.7750 300.7912 588.4024 523.6581 479.3445 1_11-Undecanedicarboxylic acid Tridecanedioic acid 1832.3603 3438.7447 2004.9753 1675.5279 2135.6345 1648.9853 11-Ketoetiocholanolone 11-Ketoetiocholanolone 1737.2414 2026.5561 2134.7205 2081.2792 2664.5058 2386.7605 12_13-Dihydroxy-9Z-octadecenoic acid 12,13-DiHOME 9344.0572 9648.0638 10416.2230 6479.9996 7254.9603 12422.5606 12(13)Ep-9-KODE 9-oxo-12(13)-EpOME 11444.7304 9000.0532 12737.9752 12921.0115 14255.2755 12433.3520 12-Oxo-2_3-dinor-10_15-phytodienoic acid 95135.5051 95210.6305 99130.4968 109607.3775 102913.6304 112220.5671 13_14-Dihydro-16_16-difluoroprostaglandin D2 3174.9712 3637.1648 3399.7806 3533.3724 3868.8898 5525.4819 13-HODE 13-HODE 36788.9471 28634.0886 25452.1469 11689.2874 12305.7209 12387.5670 13-Oxo-9_11-tridecadienoic acid 296182.6857 303233.5077 278698.2772 127638.1244 124303.9265 126616.0059 13-OxoODE 13-Oxo-ODE 610673.6728 661909.7775 608892.1115 552360.1135 600160.8675 515350.2908 15_16-DiHODE 15,16-DiHODE 101538.7292 108007.6876 88617.1794 217705.2918 178294.8043 183991.3771 15-Hydroxy-11Z_13E-eicosadienoic acid 610.3057 648.7852 583.1046 614.4375 551.1783 647.4632 16-Hydroxyhexadecanoic acid Juniperic acid 982712.6180 1180051.5420 1185690.6620 933222.9064 1058782.1800 1119785.3740 17-Hydroxylinolenic acid 3229.4422 2749.5589 2753.0265 4287.7933 4130.7609 4037.7210 1b_3a_12a-Trihydroxy-5b-cholanoic acid 2497.3446 2365.1438 2790.7043 3038.0195 2702.0290 3467.7188 1b-Hydroxycholic acid 746.8638 647.8198 832.3458 545.2835 407.3353 652.0768 1-Methyl-6-phenyl-1H-imidazo[4_5-b]pyridin-2-amine 1785.2782 1339.0527 1275.3999 1430.9634 1589.8180 1373.6777 2-(2-Thienyl)furan 8803.9519 8340.6141 7797.7074 15855.3735 17330.5983 14727.9595 2_5-Dimethylfuran 2,5-Dimethylfuran 5501.1775 4932.6560 5201.4418 6682.1473 7610.7462 6741.0273 2_6-Dihydroxybenzoic acid 2,6-Dihydroxybenzoic acid 39936.6595 40442.6565 40035.9547 117454.6215 128959.1262 122619.6995 2-Benzoxazolol 2-Benzoxazolol 4117.4789 3753.1918 3763.1642 2100.2311 1981.0554 1893.5694 (2^E_4^Z_7^Z_8E)-Colnelenic acid 62016.4788 7645.3351 6807.3959 296183.5015 342351.0393 300246.5337 2-Ethyl-2-hexenal 19672.0387 20394.6184 19454.1883 31329.9848 33068.4086 28017.8425 2-Furancarboxylic acid 2-Furoic acid 1630.4179 1750.0786 1576.6337 2288.4751 2398.0296 2548.3486 2^-Hydroxy-2_3_5^-trimethoxychalcone 1874.4265 897.3650 1766.5959 1723.4881 2019.5516 2282.4270 2-Hydroxy-4-oxopentanoic acid 3955.1965 4320.4796 3847.0256 8592.3859 9286.2359 7961.6574 2-hydroxystearate 2-Hydroxystearic acid 4827.4986 4483.8916 2306.8714 3824.3074 4102.5960 3425.5923 2-Isopropylmalic acid 2-Isopropylmalic acid 1419.1087 777.5416 1496.8884 1764.7775 2645.4521 3041.1557 2-Keto-3-deoxyoctonic acid 13411.9914 13658.2221 15449.7571 13580.0789 12302.6287 11534.4518 2-Naphthalenethiol 2559.3126 3343.5383 2509.0460 4311.7075 4804.6928 4409.3849 (2xi_20beta)-2_20-Dihydroxy-3-oxo-12-ursen-28-oic acid 1466.0056 1440.9792 1863.6571 2242.7517 1719.5484 2571.2587 3^_4^_5_7-Tetrahydroxy-3_6_8-trimethoxyflavone 616.2981 700.4697 499.2972 6611.6413 7381.0863 6958.2939 3_4-Methylenesebacic acid 10730.8141 10907.5457 14966.6845 59432.0907 62647.6567 60199.9902 3_5-Di-tert-butyl-2-hydroxybenzaldehyde 10930.7359 9752.2798 9924.3417 7930.9671 7537.8890 7097.5945 3_7-Dihydroxy-12-oxocholanoic acid 42744.0477 42889.8223 48217.1830 54703.6755 54364.3406 56324.4172 3a_7a_12a-Trihydroxy-5b-cholestan-26-al 1469.3104 1916.3918 18134.7920 2723.8625 582.4738 713.2230 3-Azetidinecarboxylic acid_ 1-(4-fluorobenzoyl)-3-[[(6-methoxy-2-naphthalenyl)oxy]methyl]- 1618.3835 1481.3481 2427.0246 1336.8249 1549.8394 1263.3096 (3beta_8beta)-3-Hydroxy-7(11)-eremophilen-12_8-olide 3558.2197 3426.9084 2998.9454 2700.5031 2781.3411 3194.5002 (3.beta.)-Allopregnanolone sulfate 1899.1078 1941.5061 2129.1746 2038.6805 2239.7707 2347.5767 3-Caffeoylquinic acid Chlorogenic acid 4422.5670 4279.2042 4583.4745 67694.5177 67524.3676 65503.8124 3-Coumaric acid 33555.4353 34540.3606 35435.3016 20049.3271 22476.1784 18237.2261 3-Cyclopentene-1-octanoic acid_ 2-(3-hydroxy-1-penten-1-yl)-5-oxo- 13500.1565 12534.6801 12396.2406 7613.7959 7529.6772 8636.3012 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 16340.6296 16693.3264 15918.7016 17129.1264 15083.2355 16381.3083 3-Hydroxy-3-methylglutaric acid 3-Hydroxymethylglutaric acid 820.7765 714.2801 566.2063 864.6205 980.3469 838.7829 3-Hydroxy-4-methoxycinnamic acid Isoferulic acid 7825.6423 7960.3301 7960.0683 7158.3216 7630.6077 7505.5642 3-Hydroxybenzaldehyde 3-Hydroxybenzaldehyde 8077.5861 8637.2193 8052.6240 2948.1570 5980.8356 3410.8140 3-Hydroxybenzoic acid 3-Hydroxybenzoic acid 4104.1646 4439.5714 3693.1049 6366.0243 5840.1472 6164.0917 3-Hydroxydodecanedioic acid 3-Hydroxy-dodecanedioic acid 8979.2684 8584.8644 9809.3092 4879.7864 4567.9248 4170.9847 3-Hydroxyoctanoic acid 3-Hydroxyoctanoic acid 3411.0875 3236.0396 2764.7879 2632.2752 2855.4146 3263.0141 3-Hydroxyphenyl-valeric acid 3-Hydroxyphenyl valeric acid 2398.8814 2315.5841 1644.1975 4214.1191 4224.0974 4157.9486 3-Methyl-1-penten-3-ol 516.6552 708.4979 419.4995 972.1775 454.6868 411.9671 (3-Methyl-2-butenyl)-benzene 7525.3949 7650.8911 7934.0461 7503.6797 7514.8319 7667.4137 3-Methylbenzaldehyde 5222.7551 6346.6614 5708.2054 3964.8573 3296.0339 3720.6517 3-O-p-Coumaroylquinic acid 186411.7125 191579.0231 183964.3777 211451.2809 203870.5686 218966.5000 3-Oxohexadecanoic acid 3-Ketopalmitic acid 12243.6903 40777.8418 12376.9773 12063.2194 12108.0903 12483.5175 3-tert-Butyl-2-hydroxybenzaldehyde 1403.9751 1319.1954 1821.2664 4833.4520 4316.8961 5273.8601 4_4^-Methylenedianiline 3848.7516 3776.2012 3689.2655 3830.1611 3581.2658 3061.9697 4^_5_7-Trihydroxy 3_3^_6_8-tetramethoxyflavone 22863.3499 20053.5639 24641.1177 24389.6513 21483.0355 26517.5314 4_5-Dihydrovomifoliol 8140.4603 7694.6832 7968.5796 54533.5704 43112.7786 39513.4697 4_8_12_15-Octadecatetraenoic acid 25506.1104 26255.4330 28864.8697 33209.9129 36719.7746 26627.0481 4-Acetyl-2-methylpyridine 2276.5776 2294.9154 2307.1088 2198.2937 2283.2904 1986.7206 4-Aminophenol 4-Aminophenol 271.1276 289.4648 295.1187 262.6677 322.8189 267.0532 4-Hydroxybenzoic acid 4-Hydroxybenzoic acid 5777.9419 5953.4446 6297.8611 15892.9188 17400.8688 14237.4391 4-N-(N-Acetyl-D-glucosaminyl)-protein 5562.9223 4775.9058 4672.7266 4014.6087 4186.8921 3614.9294 4-O-.beta.-Galactopyranosyl-D-mannopyranose 11237.4684 14473.4251 10703.7975 10139.2872 8923.0986 9496.6193 4-Pyridoxic acid 4-Pyridoxic acid 1352.4459 1388.8332 1201.3427 1124.6347 1076.9110 1009.2831 5-(3^_5^)-Dihydroxyphenyl-gamma-valerolactone 2258.3235 2111.6449 2181.1199 1479.4469 2149.9136 1587.4644 5_3^-Dihydroxy-6_7_4^-trimethoxyflavone 1332.7679 1364.9059 1260.0884 1672.7534 1245.7916 1152.8255 5_7-dihydroxy-2-(4-hydroxyphenyl)-3_6-dimethoxy-4H-chromen-4-one 19719.9724 18914.2371 19580.1211 14186.5325 13846.5225 15226.2183 5_7-Dihydroxy-3^_4^_5^-trimethoxyflavone 1307.6619 1200.2580 1325.9090 1438.1404 1165.2658 1433.7324 5.alpha.-Pregnan-3.alpha._17-diol-20-one 3-sulfate 1508.6123 771.5410 1242.7990 848.4393 892.4795 888.3699 5-O-Caffeoylquinic acid methyl ester 3934.0247 3807.7232 3890.2776 4817.0303 5161.9988 4633.5174 (6beta_7alpha_12beta_13beta)-7-Hydroxy-11_16-dioxo-8_14-apianadien-22_6-olide 8006.3121 9037.9610 11843.4630 13318.8411 13884.4180 13361.2151 6-Hydroxynicotinic acid 6-Hydroxynicotinic acid 4347.5358 3798.8666 3566.7754 2959.7192 3261.6620 3015.9955 8-Hydroxyquinoline-5-carboxylic acid 580.8833 614.8567 646.3588 775.2486 1074.7450 948.2269 9_10_13-TriHOME 9,10,13-TriHOME(11) 32266.3030 29725.6118 32267.5946 29765.5308 31828.5919 28502.3435 9^-Carboxy-gamma-tocotrienol 4308.1415 4245.9540 3822.3017 3385.0723 2564.0821 2892.8834 9-HOTE 9-HOTE 1261703.3580 1371933.2070 2466058.8770 631386.1559 624505.5392 644050.9109 9-Hydroperoxy-10E_12Z_15Z-octadecatrienoic acid 898500.2352 947811.9906 1027432.1520 1222581.0670 1411097.7220 1260704.5660 9-Hydroxybenzo[a]pyrene-4_5-oxide 452.6576 604.8030 660.4563 408.5335 443.6473 352.2855 9-Oxo-11-(3-pentyl-2-oxiranyl)-10E-undecenoic acid 75772.0297 82962.2132 70786.5556 157995.8352 181568.7882 154294.3194 (9R_10S_12Z)-9_10-Dihydroxy-8-oxo-12-octadecenoic acid 1034170.6310 1087373.4240 943492.0251 794669.6232 727767.7571 697952.2889 Acetaldehyde Acetaldehyde 1040.6742 1926.7740 3059.1211 1841.3043 1655.5542 1799.8298 Acetaminophen sulfate Paracetamol sulfate 2383.7671 2132.0431 2164.7463 2382.7558 2741.9134 2659.2575 Acetic acid Acetic acid 6357.2805 5656.1250 5103.4003 5316.8151 5337.8911 4626.3546 Acetic anhydride 30190.5295 27048.7504 27283.9447 12431.4589 13277.1940 12611.9822 Adenine Adenine 4696.6965 4861.9154 4253.6655 3288.6649 3098.7450 2623.0877 Ala-Ile Ala-Ile 7292.5469 7284.4229 8297.5011 4045.5898 4231.9430 4007.5789 Ala-Phe Ala-Phe 2559.1590 2618.7594 2222.7984 1485.9618 1528.8719 1865.8041 Ala-Trp Ala-Trp 1154.3826 1165.7523 1059.3422 1004.6060 835.4284 905.0654 Allose Allose 100173.6024 90830.2675 93206.6341 68867.7395 71760.4891 69405.6690 Alpha-Linolenic acid alpha-Linolenic acid 190773.2154 161447.1361 126414.8908 72212.0672 78315.0652 74833.7425 Anethofuran 5700.2653 5509.6689 5398.7469 3345.8784 3505.1811 3120.5001 Antibiotic GR 95647X 1851.5718 1722.9160 1680.8545 1649.9747 1734.4055 1491.0575 Apigenin 6-C-glucoside 8-C-arabinoside 47050.4978 52748.3375 53834.2148 31683.8266 34433.9493 34863.0008 Asn-Leu Asn-Leu 12195.0480 12550.6523 12641.5598 6718.8565 7438.6644 7557.6165 Asn-Phe Asn-Phe 5394.7548 4746.7593 5449.8030 5415.7537 5571.8329 5755.6446 Aspartate Aspartic acid 15909.8805 16329.3649 14759.5794 10253.0796 10310.6061 10089.8489 Azelaic acid Azelaic acid 14964.0769 14780.4261 15607.8053 11798.1639 13973.6552 11987.9722 Bavachinin 2875.6693 2216.2073 1415.0295 1401.5530 1579.4780 1673.6727 .beta.-Alanine_ N-[2-(2-pyridinyl)-6-(1_2_4_5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]- 4660.3356 4185.7981 3276.5565 3104.6891 3770.2168 3348.7871 Butyl 3-hydroxy-2-methylidenebutanoate 13313.5223 11761.4161 10938.4814 26466.2334 28327.3758 28948.3072 Chlorotrianisene 12700.8441 9065.9815 9580.4901 9926.1577 8961.8124 8117.7424 Cinobufagin 2520.6594 2865.7812 1401.5316 1462.8477 887.1888 1512.6979 C.I. Pigment Red 149 1186.7282 1197.9044 854.8196 1394.5627 1154.9252 1024.9970 Citraconic acid Citraconic acid 160346.5925 16232.7523 29402.9831 8196.8103 8972.5155 7664.3972 Citric acid Citric acid 42106.1709 50759.0421 45895.0311 78800.7257 80789.2603 72696.1407 Corchorifatty acid D 114125.1409 96500.4693 54510.3915 66846.1075 69084.8435 66888.9766 Corchorifatty acid F 180031.0927 183336.4338 163996.4095 181977.7251 185940.5711 157442.6272 Crispanone 4420.4926 3796.3833 4384.4563 10018.4552 10993.2778 9711.4265 Cryptochlorogenic acid Cryptochlorogenic acid 1956.3415 833.4386 1936.8564 11643.9505 11137.9426 11146.9854 Cynarin 9438.9382 9453.2840 9206.5373 8866.4712 8683.6414 9481.0548 Cytidine Cytidine 89.4521 849.9407 771.0815 530.3232 368.5889 566.6729 D-2_3-Dihydroxypropanoic acid 14710.9276 13934.7871 14186.9713 8284.2132 9657.1822 7841.6655 Dapsone Dapsone 2124.7719 2410.2808 2676.7011 1833.1047 1880.2973 1435.5493 Dehydroascorbic acid Dehydroascorbic acid 2376.7411 1398.5442 2870.0406 1880.2785 2059.3197 1627.4946 Delphinidin-3-O-(6^^-O-alpha-rhamnopyranosyl-beta-glucopyranoside) 2695.5237 1916.2380 1571.9362 1731.7530 1803.0955 3607.8120 Demethylcalabaxanthone 248858.3975 233205.6130 166645.8742 117170.8192 106428.1036 82257.3974 DGDG 36:6; DGDG(18:3/18:3) DGDG (18:3/18:3)* 1320.5141 841.6466 1097.8354 995.3080 547.2667 918.9952 D-Gluconic acid Gluconic acid 25277.4508 24658.7147 24172.4505 15656.7442 15745.7604 15013.6103 Diacetyl Diacetyl 234088.1319 239948.2935 205889.4739 173336.3818 164893.4536 132588.5294 Diosmin Diosmin 1407.8377 1198.1544 1384.7479 778.4662 1054.8159 671.0936 D-Malic acid D-Malic acid 618.4287 606.5280 612.0531 319.9242 535.6028 426.4338 Dodecanedioic acid Dodecanedioic acid 6203.1732 6349.3268 5940.7878 40098.6006 37283.5472 36807.4319 D-(+)-Pantothenic acid Pantothenic acid 752.3815 718.9500 674.4248 612.8350 646.9145 844.0973 Ecabet Ecabet 82190.6752 83932.5674 63992.7669 38263.0767 47076.7120 33811.0940 Echinocystic acid-3-O-glucoside 4762.7430 4844.6413 5657.0013 5220.4490 5477.6165 6303.6123 Erlose Erlose 1309.5332 1404.2894 1383.4491 1896.6930 1398.8662 1459.9422 Ethyl p-coumarate 1930.5093 1838.3036 1544.5502 3024.2714 3580.1005 3745.1310 Eucalyptol 1,8-Cineol 4474.0961 3792.0610 7119.3687 8780.9584 3614.2746 3440.6757 Flavin Mononucleotide FMN 6244.1190 5984.6410 5761.5295 4415.2539 4373.5747 5050.1195 Fluorescein Fluorescein 902.1370 787.5592 781.4764 4397.2529 4639.8007 4803.9219 Fragransol C 54421.3953 81022.4058 42204.0604 59454.8926 81652.6305 41640.7970 Garcinia acid Garcinia acid 150296.1075 155737.4000 131500.2491 78126.7546 78286.7471 71937.8172 Gentian Violet 627.8200 515.1854 550.4877 1365.6384 1249.5197 1273.0644 Gibberellin A22 960.8909 1047.2617 838.2355 1243.9131 1489.8747 1414.8488 Gibberellin A99 4638.9321 4470.9582 3204.2761 2130.7607 2540.9187 1546.0920 Glabrone 1260.7551 1174.2618 1063.4127 1309.5597 1337.9859 1220.1702 GlcADG 34:2; GlcADG(16:0/18:2) 26832.5894 25809.5452 29772.7852 12182.4986 11454.7437 377.8150 Gln-Ile Gln-Ile 14637.3779 14515.8519 14271.5357 18720.2912 19754.3555 13610.0061 Glu-Leu Glu-Leu 1771.3168 2675.9894 1936.4406 1887.1369 2063.7910 1428.0116 Glutamylvaline Glu-Val 12143.2285 8217.2997 12026.4839 3037.1853 3267.5193 3009.3427 Glyceraldehyde Glyceraldehyde 8109.7178 7927.7276 7625.4724 6978.9936 7545.9150 7632.0336 Glycyl-L-norleucine 11119.8391 10105.7502 10278.1340 10227.4968 11219.6196 10785.2251 Gly-Phe Gly-Phe 5429.0642 4888.9086 5482.3365 5825.9863 6392.2053 7621.6676 Goshuyic acid 5,8-Tetradecadienoic acid 5857.5287 4660.8302 3242.8068 3718.7927 4179.4721 3708.6527 Guanine Guanine 4152.7588 4521.1066 4280.5860 5077.7350 4291.1702 2951.8681 Guanosine Guanosine 3435.1475 3621.4166 3507.1948 7789.5744 7783.2485 8102.5882 Guanosine-3^_5^-cyclic monophosphate 3',5' cyclic GMP 1847.6376 1721.0534 1842.0809 1761.6214 1504.0942 1553.8588 Hexadecanedioic acid Hexadecanedioic acid 3646.8838 5445.1917 3928.8752 4254.2697 3464.8254 10318.9909 (-)-Hydroxycitric acid lactone 6950.2858 7658.3404 6724.6566 10132.8860 8604.6839 5560.1315 Hydroxygaleon 7362.4713 8835.7326 5639.0577 5262.1737 5656.5141 3758.0673 Ile-Gly-Ile Ile-Gly-Ile 13399.3641 13903.4878 13438.7088 12882.3435 12947.3728 13925.2381 Ile-Phe Ile-Phe 13837.3564 13676.1727 14679.2155 12173.6148 15793.4494 14414.4856 Ile-Thr Ile-Thr 1709.5580 1785.2901 1877.2394 1491.6470 1717.1419 1596.5472 Isochlorogenic acid b 35649.7245 33067.4143 35134.4692 44840.1667 43009.9337 47148.2080 Isoferulic acid Isoferulic acid 4026.8200 4674.3963 4154.1969 5493.2786 4983.3909 4715.7616 Isoleucyl-Leucine Ile-Leu 30695.2118 30447.4774 30403.4229 30152.9976 35631.2261 37215.5072 Isoleucyl-Tryptophan Ile-Trp 1962.2296 2672.6817 2198.6605 1882.6823 2685.9951 2201.4623 Isoleucyl-Tyrosine Ile-Tyr 3584.7836 3468.9879 3715.3012 3800.9265 3789.9607 4452.5109 Isorhamnetin-3-O-rutinoside Isorhamnetin-3-O-rutinoside 5927.7071 6580.3614 6532.0287 1807.1685 1875.2517 1819.0579 Jasmonic acid Jasmonic acid 4137.9279 4137.5019 3914.1184 11025.8978 10747.9985 11247.3958 Kaempferol 3-O-sophoroside 3150.4353 3262.2883 2755.2627 5229.9602 5910.5874 5841.5452 Kaempferol-7-O-neohesperidoside Kaempferol-7-O-neohesperidoside 28389.6371 29624.5094 30027.7036 27388.3213 39961.7720 28511.4881 Kessyl glycol 8544.5357 8563.7728 8793.8460 2884.6326 3582.8973 3936.2857 Leu-Ala Leu-Ala 4252.5887 4620.0378 4137.3604 9301.9771 6389.6100 6413.8456 Leu-Arg Leu-Arg 208.7703 272.5867 350.8614 969.4185 837.9629 765.7446 Leu-Glu Leu-Glu 7825.4492 5240.7680 7477.6976 7967.6993 6945.5501 6895.4068 Leu-Pro Leu-Pro 16211.1517 16063.7047 16151.6959 16593.0981 18059.7037 17381.1050 L-Glutamine Glutamine 6052.4827 4463.4607 4850.2878 7279.3739 5834.1771 6322.0343 L-Gulono-1_4-lactone 20179.5202 18105.1363 19299.9337 13832.9534 13209.9024 11221.8235 L-Histidine Histidine 3040.9035 2564.4870 2664.7762 2817.9302 2727.1564 3050.5704 Linarin 558.2741 514.6150 479.3779 572.1822 625.3795 598.1135 Linoleic acid Linoleic acid 53680.1242 47829.9943 49651.5137 30042.1969 31261.4111 29988.0253 L-Norleucine Norleucine 16012.8188 16866.0297 14939.8926 21049.9948 23171.3579 21417.8217 L-Phenylalanine Phenylalanine 60741.5383 57228.3056 65227.8877 56305.3007 59925.6746 58385.5083 L-Serine Serine 8908.7715 8107.4173 7637.2931 3245.3893 2808.5095 3049.4116 L-Threonine Threonine 1840.9164 1968.9877 1591.4834 2045.2516 2611.5848 2265.8136 L-Tyrosine Tyrosine 12381.2156 15934.2687 14003.8662 12582.9214 13794.5749 11703.0353 LysoPA 16:0; LysoPA 16:0 LPA 16:0 2334.3706 2074.9570 2014.7673 2208.9690 2236.5161 1830.0660 LysoPC 16:0 LPC 16:0 4015.6240 16696.6735 14093.9314 14224.4846 1380.6255 1965.7560 LysoPC 18:2 LPC 18:2 345.8404 421.2019 660.4420 520.1272 511.8462 1084.1379 LysoPE 16:0 LPE 16:0 595.5700 642.5047 1070.7617 1432.5244 1053.8356 1610.3524 Maleic acid Maleic acid 8363.5585 8337.2515 7950.4525 9804.1975 10118.8815 10284.3397 Malonic acid Malonic acid 3199.6511 3159.8790 3005.1512 4984.1521 5052.7513 4877.3472 Maysin 5018.4417 3608.4707 2110.5932 5445.8710 11288.2386 11132.1850 Melanin Melanin 96034.7329 103335.0831 93687.6260 87045.6381 93849.6350 91958.3633 Melezitose Melezitose 1887.7961 2251.3403 2419.1885 2146.0665 2603.2740 2109.5713 Mesaconic acid Mesaconic acid 543500.9466 799039.6014 654771.1597 517186.9065 467540.9671 449874.0698 Methacrolein 1327.4249 2330.2264 1212.1748 3236.2786 3607.4348 3349.5718 Methoxyeugenol 5634.9954 5327.0315 6729.1103 5262.1654 5794.0228 5772.2959 Methyl 3-hydroxybenzoate Methyl 3-hydroxybenzoate 1834.4139 1826.4544 1857.9308 987.8129 994.5841 877.0104 Methylsuccinic acid Methylsuccinic acid 1505.5259 1472.9135 1632.3707 6739.6808 9760.0417 8747.3438 MGDG 11:0; MGDG(5:0/6:0) MGDG (5:0_6:0)* 460.9823 566.9163 510.6784 577.2887 363.9093 439.6885 Momilactone A Momilactone A 13308.9178 19068.0310 13144.1626 17538.5119 18785.6019 16189.1940 Naphthalene Naphthalene 268.8974 206.8258 329.8463 389.2383 254.3469 280.0643 Naringenin Naringenin 1594.7525 1862.0145 2095.6216 3859.1951 3710.0660 3742.7196 N-lactoyl-Isoeucine 2590.2142 5041.9787 2473.3158 3427.5306 4976.2309 2625.0652 N-Methylaspidospermatidine 9723.8117 18367.4542 6248.7053 8116.6412 5308.7174 3937.7099 N-Nitroso-N-methyl-3-aminopropionic acid 2877.7411 1972.1573 1832.6760 2041.9917 2678.9794 2722.9146 Norisoboldine 911.5740 652.3965 694.5801 1236.7105 2203.6747 1132.5119 N-Undecanoylglycine N-Undecanoylglycine 18732.7225 17761.8346 18508.6784 16680.7018 17198.1109 16302.5732 Oleic acid Oleic acid 4312.1687 3143.5125 3370.5472 4741.0309 4450.2719 4368.4921 Orientin 4089.2885 3667.8432 3594.3343 5410.4440 5811.9884 6074.5180 Oxoglutaric acid 2-Oxoglutaric acid 3351.0280 2894.2835 2703.7755 3250.3945 3001.3073 2665.6879 PA 34:3; PA(16:0/18:3) PA 16:0_18:3 5178.8016 1136.5947 2106.8082 4256.3931 1021.2409 851.9567 Palmitic acid Palmitic acid 18374.7850 22035.4584 19005.0354 26481.2528 20185.7192 17312.3106 PC 36:2; PC(18:0/18:2) PC 18:0/18:2 35445.6938 11351.3062 9530.5550 16033.1029 12339.5615 15655.1650 PE(18:1(9Z)/18:1(9Z)) PE 18:1(9Z)/18:1(9Z) 1290.7928 729.1350 2351.0945 1186.9140 580.1172 3405.5460 Pelargonic acid Pelargonic acid 2250.5683 2325.1244 2291.5136 2693.2845 2706.0866 2707.2312 Pentadecanoic acid Pentadecylic acid 1356.4944 1174.4038 937.1366 796.3949 787.5921 513.0116 Phenol Phenol 573.2978 618.2729 587.2796 1580.7688 1855.6457 1605.5933 Phenylethyl primeveroside 36315.9554 24574.3504 24615.8669 31537.8530 84739.5824 116706.5802 Pheophorbide a Pheophorbide a 357457.4694 347806.9559 373920.9283 447575.9062 554831.3036 503184.7304 Phe-Pro Phe-Pro 10875.2684 6490.1132 8137.4020 8645.6758 7065.8635 10913.8774 Phytocassane B 8658.7929 9734.4827 16154.6833 18786.6771 19512.1151 20750.6089 PI 34:3; PI(16:1/18:2) PI 16:1_18:2 2482.4020 1351.6754 3328.6528 4062.4630 1850.1193 2733.1489 Picolinic acid Picolinic acid 868.1209 546.7764 832.4563 711.4830 600.9915 665.6212 Prexanthoperol 4339.7925 4116.6144 4404.6517 8143.1216 9069.7140 7307.3000 Pyroglutamic acid Pyroglutamic acid 1178.3437 1088.3765 856.5374 632.6633 455.9918 492.1823 (-)-Quinic acid Quinic acid 302765.3556 294246.4105 270969.5127 222474.3783 222448.5585 219009.8340 Robinin Robinin 1818.3654 1706.1275 1641.1038 4543.7837 3605.6792 4136.7734 Sapidolide A 1052.9305 1109.8833 1052.0598 1330.5956 1345.0265 1227.4676 Sebacic acid Sebacic acid 4990.1577 4189.0801 4396.6268 3011.6283 2725.7966 2725.5661 Ser-Leu Ser-Leu 7735.4316 8045.7671 7421.2568 6446.6775 7010.1901 6487.7357 Ser-Phe Ser-Phe 4398.9318 4223.9323 4376.4062 4660.9155 6031.4591 5514.6231 Seselin 871.2145 905.8083 1011.8500 471.4095 601.5557 480.6087 Shikimic acid Shikimic acid 30550.1937 28019.5226 27769.8338 10778.5340 9990.2161 10301.4500 Simvastatin Simvastatin 6678.9012 5810.3363 6051.4685 9467.0763 9014.7450 8793.3632 Stearic acid Stearic acid 4432.1840 5270.7122 6519.5290 7385.8126 7777.3503 7396.8763 Suberic acid Suberic acid 1648.0512 1398.1685 1984.2761 1785.0714 1941.4896 1612.2719 Succinic acid Succinic acid 1744.0348 1322.3859 1262.3054 4768.5699 3901.7801 4722.1277 Sucrose Sucrose 13266.4858 22955.6840 13122.8095 12793.7043 12049.2400 12566.1746 Sugiol 758.8251 682.8523 797.3035 667.9135 1536.0938 586.9298 Tangeraxanthin 1720.3558 1575.5835 14793.0971 3720.3016 129.7483 349.5245 Thr-Leu Thr-Leu 10808.5724 10495.8991 10667.7997 9180.3664 9792.5567 10560.8703 Thr-Phe Thr-Phe 3231.5442 2859.4820 3033.5786 2706.0786 2579.7115 3173.3691 Trandolaprilat 3579.0076 3314.1295 3751.0052 3328.0970 1698.5414 7575.3091 trans-Aconitic acid trans-Aconitic acid 486767.5673 480606.9087 447558.5440 312326.8066 298350.7680 275659.0369 trans-Traumatic acid Traumatic acid 22926.3157 23155.3850 25770.0717 12018.1898 10912.0790 11707.1185 Traumatic acid Traumatic acid 10803.6437 10241.0495 9785.5026 31324.9210 31704.1145 31620.4123 Traumatin Traumatin 36244.4793 42023.8561 41509.3991 20463.4391 20470.1002 19442.5860 Tryptophan Tryptophan 26110.7468 25209.2442 25898.9435 26763.8295 30220.1714 29007.1460 Tyrosyl-Threonine Tyr-Thr 2711.4476 2506.3811 2635.2354 2018.3033 2053.4914 2176.4171 Uridine Uridine 52602.7836 57961.2273 55233.7464 59125.9541 60900.4012 53978.4272 Val-Asp Val-Asp 4797.3016 4000.6807 4055.1029 3758.9253 3179.0807 3802.3141 Val-Leu Val-Leu 29072.6854 29206.5350 29556.3264 31193.2121 32515.0689 29838.4541 Val-Pro Val-Pro 3383.2720 3503.8760 3207.3737 3824.1594 4095.6561 3760.3703 Val-Tyr Val-Tyr 6604.5919 6498.1593 6392.7105 8177.2226 6944.8896 6603.2866 Val-Val-Val Val-Val-Val 4915.9583 4496.6820 4642.5331 4058.7195 3786.0452 4116.7723 Valyl-Alanine Val-Ala 3124.8157 3484.9569 3512.8699 2301.6269 2184.6762 2096.1064 Valyl-Methionine Val-Met 2543.6552 2832.1786 2508.1790 2995.6652 2500.5987 2828.9201 Valyl-Phenylalanine Val-Phe 15126.2363 12371.6678 15439.0766 12006.8091 13219.7066 15535.0677 Valyl-Tryptophan Val-Trp 2912.3301 3605.5667 3408.7193 3113.2103 3764.1564 3725.4729 Valyl-Valine Val-Val 5978.6812 5873.4837 5980.6870 6240.8021 6426.6318 6428.9923 Vanillic acid Vanillic acid 1798.8752 1682.5461 1676.9676 753.2637 730.2417 680.3993 Vitamin C Vitamin C 7582.2448 6992.8657 6623.0511 7596.1349 8229.8284 8532.0161 Vitexin Vitexin 5018.5942 4817.7215 5068.7905 5375.8578 5452.6761 5684.8108 Vitexin-2^^-O-rhamnoside 14254.8328 15210.1643 13549.5975 12286.6905 13429.7386 16480.8984 Vitexin 4-O-glucoside 25599.6061 26581.1495 23748.4221 14666.7755 10260.1052 14772.1622