Data for ST003565
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 11-nitro-1-undecene | 1165523.06 | 846018.14 | 1438984.27 | 485509.83 | |
| "1,2,3-Tris(1-ethoxyethoxy)propane" | 626444.09 | 568687.68 | 627864.77 | 598734.42 | |
| "1,2-Dihydroxy-3-keto-5-methylthiopentene" | 863350.67 | 357369.66 | 679183.69 | 391342.48 | |
| 1(2H)-Isoquinolinone | 568914.25 | 407575.43 | 568510.00 | 315210.93 | |
| "(1,3-diphenylpropoxy)sulfonic acid" | 77473.21 | 71167.12 | 65069.52 | 71506.07 | |
| 1-5-diazabicyclononane | 171671.69 | 295116.25 | 235793.01 | 251137.88 | |
| 15(R)-hydroperoxy-EPE | 4881399424.00 | 4970184704.00 | 4810959872.00 | 4857512106.67 | |
| "16-bromo-hexadecadien-5,13-diynoic acid" | 695992.53 | 350752.88 | 487385.95 | 317644.67 | |
| 16-dimethylarsinoyl-hexadecenoic acid | 268790.35 | 163983.84 | 240645.96 | 146330.78 | |
| 17-AAG | 204636.64 | 271196.82 | 241262.03 | 226557.55 | |
| 1-Caffeoyl-4-deoxyquinic acid | 2662071.50 | 1661646.58 | 1930880.21 | 1595185.33 | |
| 1-dimethylarsinoyl-decane | 147164.28 | 49034.70 | 98951.95 | 83769.47 | |
| 1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol | 5136858.25 | 2573764.00 | 3400893.50 | 2353572.12 | |
| 1H-Indole-3-acetamide | 1856010.09 | 4931717.50 | 1573109.17 | 5617261.17 | |
| 1-Methylhistidine | 926952.69 | 560600.95 | 759199.08 | 607056.94 | |
| 1-O-alpha-D-glucopyranosyl-(2-tetradecanoyloxy)-eicosane | 871133.42 | 1022493.83 | 927207.44 | 1228593.23 | |
| 1-octyl-2-octyl-sn-glycero-3-phosphocholine | 623659.72 | 638034.71 | 671056.01 | 687102.00 | |
| 1-Pyrroline-5-carboxylic acid | 399718.78 | 423034.50 | 407848.56 | 409009.24 | |
| 20-hydroxy-prefusarin | 107641.25 | 53429.14 | 98768.49 | 53801.13 | |
| 2-{[1-(R)-Carboxyethyl]amino}pentanoate | 301316.98 | 281703.22 | 260455.42 | 309507.26 | |
| "2,3-Butanediol glucoside" | 607244.96 | 628337.78 | 280013.18 | 288663.88 | |
| "2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-... | 100927.13 | 69326.57 | 88822.35 | 63399.76 | |
| 2-acetamidoglucal | 279488.88 | 304261.95 | 275975.56 | 318956.40 | |
| "2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-... | 2112475.09 | 1835247.00 | 1878628.67 | 2062158.00 | |
| 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | 600585.92 | 1185223.00 | 868653.88 | 1134446.83 | |
| 2-Amino-3-(1-pyrazolyl)propanoic acid | 1632810.72 | 624528.53 | 949024.83 | 610757.79 | |
| 2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid | 560199.96 | 95976.08 | 239332.62 | 85776.58 | |
| "2-Amino-9,10-epoxy-8-oxodecanoic acid" | 479329.85 | 533276.19 | 482742.10 | 448266.14 | |
| 2-Aminoheptanoate | 6246803.75 | 6201301.50 | 6304215.00 | 6046648.67 | |
| 2-{[hydroxy(5-hydroxy-1H-indol-3-yl)methylidene]amino}acetic... | 782245.83 | 426657.78 | 482192.28 | 462849.86 | |
| 2-Hydroxycaproic acid | 1037807.81 | 951777.71 | 1294503.46 | 1020207.54 | |
| 2-Keto-6-acetamidocaproate | 154627.09 | 127088.76 | 163791.61 | 142650.55 | |
| 2-methyladenine ribotide phosphate | 1006432.23 | 407778.31 | 680186.71 | 413076.83 | |
| 2-Methylbutyroylcarnitine | 417920.09 | 376577.86 | 361477.69 | 309246.05 | |
| 2-methylphosphinoyl-2-hydroxyacetate | 2607317248.00 | 2629383680.00 | 2959386538.67 | 2747399850.67 | |
| "2-N,6-N-Bis(2,3-dihydroxy-N-benzoyl)-L-serine" | 1768132.19 | 1857058.88 | 1723793.92 | 1699801.38 | |
| 2-nitro-1-propanol | 376282.52 | 132743.03 | 205695.79 | 109732.97 | |
| 2-Nitropropane | 433290.30 | 364282.94 | 365562.20 | 378549.76 | |
| 2-(N-Methyl-perfluorooctane sulfanamido) acetic acid | 103541.45 | 46597.95 | 30180.89 | 46564.61 | |
| 2-Nonenoic acid | 728659.19 | 718592.95 | 733762.50 | 732635.85 | |
| 2-O-methyl cyclic 3-deoxy-D-arabino-heptulosonate 7-phosphat... | 33523.27 | 25254.88 | 27611.22 | 30569.05 | |
| 2-Oxoarginine | 547913.19 | 314991.68 | 393260.95 | 348421.61 | |
| 2-Pyrrolidinone | 26806967.50 | 35282828.00 | 25274048.00 | 31335201.33 | |
| "(2R*,3R*)-1,2,3-Butanetriol" | 268290.82 | 264881.03 | 252343.80 | 253752.79 | |
| "(2R,4S)-2,4-Diaminopentanoate" | 3392479.12 | 3268217.50 | 3308161.92 | 3166015.08 | |
| "3-(3,4-Dihydroxyphenyl)lactic acid" | 121036.48 | 85693.85 | 98135.93 | 90760.23 | |
| "3,4,5-trihydroxy-6-({17-hydroxy-11,18-dimethoxy-13-oxo-6,8,... | 169348.38 | 90147.02 | 154266.51 | 114349.33 | |
| "3^,4^,5^-Trimethoxycinnamyl alcohol acetate" | 86438.65 | 209925.40 | 127283.02 | 309637.61 | |
| "3,4-dichloro-tridecanoic acid" | 1189320.41 | 498158.21 | 863184.27 | 374009.90 | |
| "3,4-dihydroxybenzoate-spermidine" | 99785.97 | 109867.98 | 116992.67 | 101107.52 | |
| "3,4-Dihydroxymandelic acid" | 158548.03 | 278066.13 | 111974.47 | 286113.37 | |
| 3^-amino-3^-deoxyadenosine | 325930.23 | 153128.25 | 382519.57 | 141199.11 | |
| (3-Arylcarbonyl)-alanine | 1771614.09 | 1246021.42 | 1636251.08 | 933779.17 | |
| 3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one | 232064.29 | 788218.73 | 325256.30 | 721538.77 | |
| 3-(Cystein-S-yl)acetaminophen | 1869121.41 | 774548.19 | 1717742.71 | 687076.35 | |
| 3-Deoxyvitamin D3 | 720882.31 | 909696.40 | 714057.75 | 998256.71 | |
| 3-Indoleacetaldoxime | 340544.88 | 769863.10 | 305897.43 | 857566.15 | |
| 3-Methyleneoxindole | 1038069.67 | 2963463.50 | 1159099.00 | 2734002.92 | |
| 3-nitro-2-butanol | 474481.73 | 99257.05 | 264876.13 | 107401.96 | |
| 3-nitro-2-pentanol | 5584711.50 | 2653741.50 | 6599796.50 | 2759942.75 | |
| 3-O-alpha-L-Arabinopyranosylproanthocyanidin A5^ | 290436.84 | 237882.41 | 263129.17 | 212161.77 | |
| 3-tert-Butyl-5-methylcatechol | 2348632.22 | 2094575.58 | 3906111.85 | 1260329.42 | |
| 4-Acetamido-2-aminobutanoic acid | 645903.12 | 202777.13 | 369076.96 | 194188.36 | |
| 4-Guanidinobutanamide | 116216.51 | 88877.44 | 94355.51 | 78218.72 | |
| 4-Guanidinobutanoic acid | 281558.78 | 191289.06 | 247506.74 | 196523.48 | |
| 4-Hydroxybutyric acid | 432382.31 | 428992.06 | 461398.97 | 469132.81 | |
| 4-Hydroxyglucobrassicin | 168661.20 | 466332.19 | 214986.44 | 456297.05 | |
| 4-Methylaminobutyrate | 10901252.25 | 10725614.67 | 11172546.67 | 10604087.00 | |
| 4-Pyridoxolactone | 254014.72 | 265938.51 | 222346.39 | 217213.30 | |
| 4-(Trimethylammonio)but-2-enoate | 905137.52 | 946313.46 | 822976.88 | 926992.21 | |
| 5-Amino-3-oxohexanoate | 460177.81 | 452117.10 | 434481.73 | 466996.62 | |
| 5-Aminopentanoic acid | 65930553.00 | 47583836.00 | 59071528.00 | 43436517.33 | |
| 5^-Dehydroadenosine | 451050.17 | 207901.01 | 316095.74 | 228800.06 | |
| 5^-deoxyuridine | 578404.12 | 363001.33 | 472911.96 | 400822.56 | |
| 5-Hydroxy-N-formylkynurenine | 4260731.50 | 3410608.17 | 4377379.67 | 3444363.50 | |
| 5^-methoxy-6^-chloroarmillane | 1720256.81 | 2527079.67 | 2923014.42 | 2578743.33 | |
| 5-Methoxytryptophan | 988128.17 | 331845.10 | 631100.92 | 309018.15 | |
| 5^-Methylthioadenosine | 46653165.00 | 22881939.33 | 47325288.00 | 23170874.00 | |
| 5^-methylthioformycin | 601242.46 | 379028.19 | 586070.56 | 489682.57 | |
| 5-Nitro-2-(3-phenylpropylamino)benzoic acid | 5082252.38 | 4185314.42 | 4434224.33 | 4315553.83 | |
| 5-Valerolactone | 298540.55 | 350244.78 | 274892.92 | 316136.97 | |
| "6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone gluc... | 254057.93 | 339035.56 | 385344.93 | 305716.29 | |
| "{[6-({3-[3,5-dimethoxy-4-(sulfooxy)phenyl]-11-hydroxy-7-(4-... | 337403.99 | 250179.33 | 354336.03 | 276451.01 | |
| "6-[5-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimid... | 478402.18 | 269364.07 | 372262.60 | 279109.14 | |
| "6,7-Dimethyl-8-(1-D-ribityl)lumazine" | 42619783.00 | 23664166.67 | 36855473.33 | 23675006.00 | |
| 6-Acetamido-3-aminohexanoate | 616238.61 | 324126.26 | 568519.72 | 557089.02 | |
| 6-allyl-8b-Carboxy-ergoline | 646599.59 | 817322.65 | 569598.34 | 706860.50 | |
| 6-Amino-9H-purine-9-propanoic acid | 153999.52 | 143365.00 | 156433.82 | 148976.00 | |
| 6-Hydroxy-R-acenocoumarol | 91269.82 | 262339.57 | 73192.29 | 351850.07 | |
| 6-Methyltetrahydropterin | 2688921.62 | 2951824.92 | 3085353.50 | 3205974.50 | |
| 6-O-Methylarmillaridin | 59846.64 | - | 3759.00 | - | |
| "7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1-alph... | 960938.86 | 1062724.25 | 1044069.71 | 1014640.46 | |
| 9^-Carboxy-alpha-chromanol | 2642291.19 | 2341627.42 | 3240937.75 | 2518512.42 | |
| 9-mercaptodethiobiotin | 529437.17 | 447858.03 | 450415.64 | 466425.23 | |
| Acetylcarnitine | 13479795.00 | 13642911.67 | 13681670.33 | 14132960.33 | |
| Acetyl-CoA | 228579.08 | 216189.70 | 208133.15 | 178129.64 | |
| Acetylhomoserine | 1389724.00 | 700532.21 | 1161954.94 | 696624.01 | |
| Acetylphosphopantetheine | 126860.27 | 61915.99 | 151589.42 | 61343.54 | |
| Acrimarine N | 200759.46 | 285727.43 | 226177.86 | 296550.38 | |
| acyl phosphatidylglycerol (n-C12:0) | 1090113.19 | 1115404.98 | 911557.73 | 1159103.79 | |
| Adenosine | 3277893.69 | 980845.12 | 1487257.17 | 1014585.00 | |
| Adenosine monophosphate | 70170740.00 | 5204767.17 | 17219741.33 | 5482411.17 | |
| Adenosylhomocysteine | 30012208.50 | 16339600.33 | 26015345.33 | 16176307.00 | |
| ADP | 2667692.19 | 537662.74 | 1145338.19 | 613503.33 | |
| Agaritinal | 1117720.59 | 1914460.33 | 1189039.06 | 1507319.00 | |
| Ajmaline | 4719591.25 | 5080272.42 | 5111974.58 | 5352625.83 | |
| AK toxin I | 523851.70 | 222131.44 | 428147.61 | 240243.94 | |
| Ala/Ala | 1099428.09 | 931338.25 | 854778.77 | 737731.50 | |
| Ala/Ala/Ala/Arg | 148208.79 | 206992.39 | 256373.09 | 167720.53 | |
| Ala/Ala/Ala/Asn | 385300.21 | 292487.94 | 361116.06 | 292674.26 | |
| Ala/Ala/Ala/Ser | 244079.28 | 235363.64 | 225427.78 | 224927.28 | |
| Ala/Ala/Asn/Gln | 540096.46 | 220417.16 | 421001.14 | 226345.17 | |
| Ala/Ala/Asn/Ser | 346969.50 | 222957.18 | 340585.49 | 198323.63 | |
| Ala/Ala/Asp | 522079.56 | 305921.58 | 386713.34 | 291750.82 | |
| Ala/Ala/Glu/Arg/Tyr | 303459.50 | 129841.30 | 200431.82 | 114646.20 | |
| Ala/Ala/Glu/Glu/His | 223229.52 | 219566.00 | 242300.69 | 222406.81 | |
| Ala/Ala/Glu/Ile/Gln | 619255.77 | - | 381459.28 | - | |
| Ala/Ala/Glu/Ile/Pro | 25257043.00 | 15195054.00 | 23090392.67 | 14880911.67 | |
| Ala/Ala/Glu/Trp/Trp | 1942454.34 | 282591.59 | 1078387.75 | 331780.27 | |
| Ala/Ala/Gly/His | 2240331.38 | 1022726.96 | 1910239.71 | 1195397.29 | |
| Ala/Ala/His | 7295458.00 | 2390935.25 | 4947292.00 | 2543616.33 | |
| Ala/Ala/Ile/Pro/Gln | 543531.63 | 310254.95 | 418640.29 | 291266.61 | |
| Ala/Ala/Phe/His/Arg | 608123.67 | 196143.50 | 427103.21 | 180686.38 | |
| Ala/Ala/Pro/Arg/Tyr | 966219.67 | 1032451.50 | 1199930.52 | 988145.88 | |
| Ala/Ala/Thr | 335866.35 | 101079.04 | 194369.44 | 89710.70 | |
| Ala/Arg | 97397.02 | 64418.71 | 58208.31 | 66649.27 | |
| Ala/Arg/Val/Tyr/Tyr | 1957107.81 | 209769.42 | 888519.08 | 185019.20 | |
| Ala/Asn/Asp/Ser | 1038854.69 | 754352.85 | 687696.23 | 848412.88 | |
| Ala/Asn/Pro/Pro | 522883.72 | 101756.15 | 222287.94 | 100178.02 | |
| Ala/Asn/Ser | 59108.21 | 58564.74 | 49685.86 | 53191.04 | |
| Ala/Asn/Ser/Tyr/Tyr | 191560.70 | - | 44827.67 | - | |
| Ala/Asp/Asp/Ile/Ile | 419754.26 | 284176.28 | 368990.54 | 269511.71 | |
| Ala/Asp/Cys | 1605615.25 | 766567.35 | 1268164.92 | 655457.23 | |
| Ala/Asp/Gln/Gln | 208013.39 | 136712.32 | 164154.26 | 152714.24 | |
| Ala/Asp/Gln/Pro | 324885.30 | - | 158554.18 | - | |
| Ala/Asp/Gly/Arg | 2781738.62 | 588268.92 | 1764179.62 | 607356.00 | |
| Ala/Asp/Ile/Gln/Val | 218986.30 | 144261.31 | 157505.20 | 169884.79 | |
| Ala/Asp/Ile/Pro/Thr | 1841652.06 | 916548.69 | 1633234.33 | 828970.31 | |
| Ala/Asp/Lys/Val/Tyr | 1372947.97 | 239803.85 | 513741.94 | 166481.27 | |
| Ala/Asp/Met/Pro/Val | 188477.44 | - | 98854.25 | 45660.92 | |
| Ala/Asp/Met/Thr/Thr | 2834977.25 | 1870312.00 | 2541528.08 | 1905672.71 | |
| Ala/Asp/Phe/Pro/Arg | 399198.05 | 313247.14 | 344421.34 | 257443.20 | |
| Ala/Asp/Phe/Pro/Trp | 689831.98 | 54352.84 | 273013.76 | 64074.27 | |
| Ala/Asp/Pro/His | 284342.19 | - | 158248.06 | - | |
| Ala/Asp/Ser | 182389.88 | 101669.66 | 132708.12 | 81425.53 | |
| Ala/Asp/Ser/Ser/Trp | 527762.88 | 568872.62 | 620566.81 | 514726.88 | |
| Ala/Cys/Cys/Cys/Asn | 1772555.66 | 433259.61 | 790040.96 | 416688.05 | |
| Ala/Cys/His/His/Lys | 338876.41 | - | 168430.67 | - | |
| Ala/Cys/His/Lys/Ser | 286859.71 | 41450.15 | 176038.55 | - | |
| Ala/Cys/Lys/Met/Tyr | 236429.25 | 218741.10 | 260258.95 | 280275.21 | |
| Ala/Cys/Lys/Ser/Thr | 303857.06 | 125889.70 | 223021.90 | 111432.91 | |
| Ala/Gln | 422942.31 | 135763.96 | 225881.63 | 139439.74 | |
| Ala/Gln/Gln/Ser | 242445.43 | 76206.76 | 152994.09 | 74965.88 | |
| Ala/Gln/Gln/Tyr | 389020.18 | 295538.47 | 304048.25 | 335617.78 | |
| Ala/Glu | 223508.35 | 85943.86 | 155309.58 | 91496.33 | |
| Ala/Glu/Asn/Ile | 286500.39 | - | 148244.09 | - | |
| Ala/Glu/Ile/Lys/Thr | 241289.10 | 388881.53 | 273870.94 | 493153.19 | |
| Ala/Glu/Ile/Pro/Thr | 250236628.00 | 176523989.33 | 264768325.33 | 168129130.67 | |
| Ala/Glu/Lys/Lys/Trp | 538598.15 | 291135.58 | 391845.04 | 256283.59 | |
| Ala/Glu/Lys/Lys/Tyr | 697269.57 | 627788.94 | 651151.35 | 585901.15 | |
| Ala/Glu/Lys/Pro/Pro | 440758.03 | 38929.25 | 117445.04 | 52915.42 | |
| Ala/Glu/Met/Pro/Thr | 175724.41 | 124123.79 | 157487.18 | 112671.06 | |
| Ala/His | 7117267.75 | 544156.00 | 2699866.83 | 562030.62 | |
| Ala/His/Ile/Ile/Gln | 2254556.25 | 1884462.54 | 2011617.83 | 1879794.96 | |
| Ala/His/Met/Arg/Thr | 296243.30 | 359163.40 | 423183.72 | 322387.44 | |
| Ala/Ile/Ala/Ile | 175328.89 | 82564.43 | 115297.05 | 89835.96 | |
| Ala/Ile/Lys/Lys/Trp | 823704.97 | 734130.21 | 865353.98 | 876212.77 | |
| Ala/Leu/Ala/Gln | 211942.80 | 133318.03 | 194463.86 | 116197.72 | |
| Ala/Leu/Ala/Ser | 464398.36 | 131007.83 | 308587.21 | 117960.28 | |
| Ala/Leu/Asn/Ser | 10513997.75 | 8568191.00 | 12821869.33 | 8234863.00 | |
| Ala/Leu/Asp/Asp | 776479.75 | 517751.45 | 617706.19 | 679074.26 | |
| Ala/Leu/Asp/Pro | 640192.39 | 426796.25 | 625920.77 | - | |
| Ala/Leu/Asp/Ser | 458813.13 | 206053.17 | 291003.32 | 186872.48 | |
| Ala/Leu/Cys/Gln | 797660.94 | 120964.41 | 412258.01 | 114329.28 | |
| Ala/Leu/Gly/Pro | 294932.95 | 60807.23 | 107854.40 | 45158.34 | |
| Ala/Leu/Gly/Ser | 1273971.44 | 580439.96 | 971834.33 | 643407.73 | |
| Ala/Leu/Lys/Pro | 1588883.56 | 1536154.12 | 1684537.71 | 1596352.21 | |
| Ala/Leu/Met/Ser/Thr | 3478184.44 | 108801.98 | 2004783.58 | 101874.63 | |
| Ala/Leu/Ser/Ser | 732351.83 | 486853.66 | 650715.69 | 474529.96 | |
| Ala/Leu/Thr/Ala | 3998485.62 | 3831115.42 | 4231396.00 | 4034452.25 | |
| Ala/Leu/Val/Ser | 220887.89 | 68719.22 | 166416.01 | 69643.02 | |
| Ala/Lys/Ala/Ala | 1109557.58 | 74640.61 | 563765.49 | 61612.19 | |
| Ala/Lys/Ala/Gln | 172094.80 | - | 98180.73 | - | |
| Ala/Lys/Asn/Arg/Ser | 160531.85 | - | 24866.38 | - | |
| Ala/Lys/Asn/Pro/Tyr | 1191590.97 | 899410.35 | 1128588.52 | 876250.92 | |
| Ala/Lys/Gln/Thr/Tyr | 370990.84 | - | 239407.17 | 93948.16 | |
| Ala/Lys/Gln/Val/Tyr | 1031103.30 | 749991.02 | 1033753.69 | 725163.79 | |
| Ala/Lys/Val/Gly | 961550.81 | 448136.20 | 654694.40 | 474058.86 | |
| Ala/Lys/Val/Pro | 605137.73 | 317801.72 | 499969.18 | 317557.46 | |
| Ala/Met/Met/His | 358862.20 | 249777.41 | 361966.04 | 197983.78 | |
| Ala/Met/Met/Pro | 5825048.50 | 260778.63 | 2625480.17 | 263984.58 | |
| Ala/Met/Thr/Ser | 9413235.00 | 1029761.02 | 6206089.67 | 982025.69 | |
| Alanine | 9532930.75 | 9769158.33 | 9113335.00 | 9288971.00 | |
| Ala/Phe/Ala/Ala | 19850797.50 | 8169039.00 | 14996169.67 | 8103562.33 | |
| Ala/Phe/His/Ile/Lys | 159906.16 | 296026.49 | 82629.56 | 295509.90 | |
| Ala/Phe/His/Pro/Arg | 3813211.56 | 1873617.75 | 3121215.17 | 1696578.71 | |
| Ala/Pro | 216496716.00 | 8724936.33 | 106300536.00 | 8826972.67 | |
| Ala/Pro/Pro | 390279.21 | 60426.16 | 173423.18 | 66790.66 | |
| Ala/Pro/Pro/Ser | 391666.32 | 223293.59 | 298261.99 | 174600.94 | |
| Ala/Pro/Ser/Ser | 777201.98 | 429150.71 | 650606.81 | 440461.55 | |
| Ala/Thr/Ala/Gln | 697508.89 | 267839.43 | 475832.67 | 318652.35 | |
| Ala/Thr/Ala/Pro | 257667.45 | 151575.73 | 229406.79 | 146773.20 | |
| Ala/Thr/Ala/Ser | 163719.77 | 106810.27 | 156901.29 | 139463.00 | |
| Ala/Thr/Trp/Arg | 387496.45 | 234930.98 | 351979.09 | 220141.80 | |
| Ala/Thr/Val/Val | 233293.07 | 125511.89 | 166845.90 | 117037.45 | |
| Ala/Trp/Pro/Pro | 478124.54 | 67304.31 | 268328.06 | 48349.58 | |
| Ala/Trp/Pro/Tyr | 695800.72 | 284561.45 | 483197.51 | 352076.28 | |
| Ala/Tyr | 596540.28 | 172800.07 | 313679.41 | 136030.95 | |
| Ala/Val/Ala/Asn | 284146.56 | 150275.67 | 256686.04 | 157446.44 | |
| Ala/Val/Asn/Pro | 686315.42 | 365793.22 | 514426.51 | 376923.61 | |
| Ala/Val/Asp/Pro | 253263.98 | 130642.58 | 190974.85 | 120565.30 | |
| Ala/Val/Gly/His | 523421.47 | 422510.95 | 460141.96 | 442504.42 | |
| Ala/Val/Gly/Pro | 22772765.00 | 411410.41 | 10737997.67 | 410506.30 | |
| Ala/Val/Ser/Ser | 1262942.03 | 258601.93 | 682872.62 | 227780.88 | |
| Ala/Val/Val/Ser | 1437933.28 | 1023466.04 | 1272011.17 | 1076061.67 | |
| Alexine | 326519.72 | 302409.14 | 281145.39 | 314102.74 | |
| Allopurinol | 1601873.94 | 1838282.21 | 976573.15 | 1690092.92 | |
| Allylcysteine | 233088.43 | 171395.13 | 386752.83 | 212530.53 | |
| Aloesol 7-glucoside | 1989326.19 | 1277193.12 | 1716937.54 | 1118776.42 | |
| "alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate... | 171528.65 | 73583.89 | 105346.89 | 67455.40 | |
| alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene... | 462332.26 | 503152.82 | 453100.66 | 531267.19 | |
| alpha-D-desosamine | 1033983.16 | 1170410.58 | 1075203.15 | 1151695.79 | |
| alpha-NADP+ | 1266019.88 | 873622.65 | 1011796.33 | 869693.73 | |
| Aminoacetone | 821215.22 | 461765.44 | 1101463.88 | 494645.44 | |
| Anaferine | 1480569.59 | 1453490.33 | 1407938.38 | 1351067.71 | |
| Arg/Asp/Asp/Gly | 81971.92 | 86167.95 | 79142.28 | 100894.46 | |
| Arg/Asp/Gly/Ser | 1913390.19 | 495910.30 | 1164686.88 | 511190.50 | |
| Arginine | 72195290.00 | 42895733.33 | 53965548.00 | 43920584.00 | |
| Arg-OEt | 14180786.25 | 6171681.00 | 12183149.67 | 6020090.17 | |
| Arg/Thr/Asp/Ser | 101304.62 | 113611.53 | 133998.15 | 125358.53 | |
| Arg/Trp/Gln/Arg | 63285.50 | - | 14998.05 | - | |
| Arg/Tyr | 578925.22 | 72071.90 | 257982.50 | - | |
| Asn/Asn | 279226.92 | 189401.80 | 237146.93 | 188915.68 | |
| Asn/Asn/Asp/Gly | 632882.14 | 898747.98 | 717336.73 | 862903.62 | |
| Asn/Asn/Ser/Tyr | 372204.24 | - | 199795.31 | - | |
| Asn/Gln/Thr/Tyr/Tyr | 3977705.44 | 3932936.17 | 4186103.75 | 4087993.17 | |
| Asn/Glu/Asp/Ile | 169523.73 | 123378.22 | 133329.90 | 102707.87 | |
| Asn/Glu/Ile/Pro | 336438.11 | 335920.83 | 370563.22 | 356273.47 | |
| Asn/Glu/Ile/Ser | 141808.57 | - | 91540.29 | - | |
| Asn/Glu/Ile/Tyr | 194997.08 | 42442.92 | 101706.62 | 42763.92 | |
| Asn/Glu/Ile/Val | 124654.95 | 54193.81 | 98710.14 | 83564.00 | |
| Asn/Gly/Pro | 413782.79 | 241816.08 | 322778.84 | 244175.70 | |
| Asn/Gly/Pro/Pro | 8004264.88 | 267840.05 | 3522219.58 | 249005.09 | |
| Asn/His | 549147.17 | 121783.21 | 284105.82 | 152965.85 | |
| Asn/Leu/Gly/Pro | 605492.92 | 43851.06 | 270660.36 | 45576.38 | |
| Asn/Leu/Lys/Trp | 134515.52 | 50459.57 | 87245.43 | 64238.17 | |
| Asn/Leu/Met/Ser | 1133158.69 | 100235.02 | 616134.77 | 101384.32 | |
| Asn/Leu/Thr/Pro | 308439.75 | - | 154345.72 | - | |
| Asn/Lys/Gly/Gly | 731500.11 | 459236.90 | 653054.00 | 471204.06 | |
| Asn/Met/Gln/Ser | 852381.44 | 264144.87 | 448468.88 | 318886.17 | |
| Asn/Met/Thr/Thr | 1028474.61 | 572264.75 | 1281001.21 | 645860.23 | |
| Asn/Pro/Arg/Thr/Trp | 462690.84 | 301653.22 | 457648.32 | 305574.32 | |
| Asn/Thr/Asp/Gly | 704332.94 | 745275.60 | 737291.81 | 516886.30 | |
| Asn/Thr/Thr/Tyr/Tyr | 292600.53 | 356846.61 | 370919.63 | 370030.80 | |
| Asn/Val/Asp/Gln | 480857.94 | 78479.16 | 253673.30 | 86553.73 | |
| Asparagine | 8030280.38 | 6770254.50 | 6541517.83 | 6240702.50 | |
| Asp/Asn/Asn/Asn/Ser | 173546.86 | 121147.54 | 141223.82 | 118923.82 | |
| Asp/Asp/Asp/Arg/Tyr | 621284.92 | 853330.25 | 765199.52 | 861470.50 | |
| Asp/Asp/Gln/Pro | 133019.42 | 36113.21 | 75820.46 | 39351.48 | |
| Asp/Asp/His/Asn/Asn | 124703.15 | 79717.02 | 119067.43 | 89532.61 | |
| Asp/Asp/Ile/Lys/Pro | 838227.98 | 335345.69 | 635831.36 | 282657.92 | |
| Asp/Cys/Cys/Ser | 37432.23 | 57188.22 | 32920.73 | 51525.67 | |
| Asp/Gln/Arg/Val/Trp | 210086.25 | 137656.52 | 172754.99 | 132743.96 | |
| Asp/Glu/Glu/Glu/Ile | 345385.80 | 345966.10 | 407000.11 | 337107.65 | |
| Asp/Glu/Glu/Lys/Lys | 2904394.16 | 2780583.92 | 3558421.42 | 2852765.17 | |
| Asp/Glu/Leu/Met/Trp | 324806.22 | 136823.60 | 260815.73 | 153998.20 | |
| Asp/Glu/Lys/Met/Thr | 138065.66 | 98469.90 | 164408.29 | 109489.90 | |
| Asp/Gly/Asn/Asn/Asn | 720460.23 | 801432.71 | 778226.33 | 825439.52 | |
| Asp/His/His/Gln/Ser | 638520.07 | 232042.24 | 525742.21 | - | |
| Asp/His/His/Lys/Met | 220806.04 | 103105.50 | 130367.92 | - | |
| Asp/His/Ser/Ser/Ser | 2366214.16 | 200107.69 | 993763.42 | 184182.45 | |
| Asp/Ile/Ile/Asn/Pro | 1133346.80 | 708548.40 | 1021066.42 | 735004.10 | |
| Asp/Ile/Lys/Lys/Ser | 234833.78 | 104589.05 | 206267.97 | 77820.15 | |
| Asp/Ile/Pro/Pro/Ser | 2654142.34 | 2146173.08 | 2827412.17 | 1967565.96 | |
| Asp/Leu/Lys/Lys | 1540053.44 | 1392560.00 | 1393298.50 | 1505095.54 | |
| Asp/Leu/Pro/Ser | 219546.24 | 149112.10 | 204317.68 | 140850.57 | |
| Asp/Lys/Lys/Pro/Tyr | 1835890.28 | 1585560.25 | 1765012.38 | 1319310.96 | |
| Asp/Met/Cys/Cys | 283777.43 | 287074.29 | 313349.20 | 323786.60 | |
| Asp/Met/Met/Arg/Tyr | 152827.61 | 418481.82 | 168574.03 | 463097.67 | |
| Asp/Phe/Gly/Gly | 1222907.41 | 731849.15 | 999127.21 | 710100.35 | |
| Asp/Phe/Ile/Lys/Asn | 21461745.50 | 22090323.33 | 23132321.33 | 20850160.00 | |
| Asp/Phe/Lys/Gln/Tyr | 3087278.75 | 3681485.17 | 3005799.58 | 4071606.25 | |
| Asp/Phe/Phe/Pro/Pro | 1322992.97 | - | 709361.88 | - | |
| Asp/Phe/Trp/Val | 453907.41 | 301225.52 | 416465.06 | 279449.75 | |
| Asp/Pro/Pro | 349468.22 | 116611.87 | 221613.28 | 138002.96 | |
| Asp/Pro/Val/Asn | 295928.05 | - | 72186.03 | - | |
| Asp/Thr/Cys/Cys | 51685.04 | 41518.24 | 45491.32 | 39282.77 | |
| Asp/Thr/Pro/Pro | 147392.76 | 94662.36 | 119924.32 | 91736.17 | |
| Asp/Val/Pro/Ser | 133285388.00 | 81061802.67 | 115410320.00 | 78035570.67 | |
| Avenanthramide 2s | 212621.80 | 402270.03 | 246133.61 | 294233.35 | |
| Avenic acid A | 826895.44 | 785048.02 | 697242.94 | 698346.62 | |
| bacteriochlorophyllide a | 248339.11 | 357656.19 | 112794.92 | 414101.88 | |
| Balenine | 430478.52 | 222906.58 | 316337.60 | 194837.60 | |
| Barbinine | 4250192.75 | 6216848.00 | 4820502.33 | 5248332.83 | |
| benzalkonium | 9202225.62 | 4632647.50 | 7068204.17 | 3570077.00 | |
| Benzoic acid | 452658.50 | 530686.08 | 481462.50 | 431234.06 | |
| benzoyl cyanide | - | 211843.16 | 125649.26 | 242499.55 | |
| Biotin | 668933.06 | 636553.44 | 613588.90 | 541612.40 | |
| Biotin amide | 479506.93 | 435539.46 | 459788.56 | 410173.40 | |
| Bis(2-ethylhexyl)phthalate | 1743914.25 | 1942481.83 | 2156890.75 | 1743235.00 | |
| Brunfelsamidine | 383712.35 | 108611.38 | 228943.57 | 103162.38 | |
| Butenylcarnitine | 184708.07 | 174270.60 | 198044.02 | 179321.01 | |
| Butyric acid | 1708424.12 | 2223898.17 | 1774760.58 | 1655486.12 | |
| Carbidopa | 176366.55 | 160181.27 | 146114.20 | 188511.24 | |
| Carglumic acid | 247730.01 | 65206.23 | 148373.73 | 57625.79 | |
| Caribine | 712965.27 | 586370.40 | 721856.75 | 622501.17 | |
| Carnitine | 6840740.62 | 6634155.83 | 6660822.67 | 6730632.17 | |
| Catalposide | 1301687.00 | 341571.51 | 567191.81 | 371730.33 | |
| CDP | 130013.90 | 82233.52 | 96518.63 | 70882.15 | |
| Centarol | 409362.89 | 425391.67 | 446135.89 | 330413.72 | |
| Cer(d42:2) | 3205589.44 | 3192014.42 | 2716046.38 | 2776061.00 | |
| Cichorine | 600553.33 | 617630.92 | 588846.60 | 543882.21 | |
| Citicoline | 72486236.00 | 21206398.00 | 32864504.67 | 20085194.67 | |
| Citrulline | 3071630.38 | 1762076.21 | 1712363.96 | 1721356.83 | |
| CMP-2-aminoethylphosphonate | 3047898.62 | 4687168.67 | 5121609.83 | 4476791.83 | |
| Codeine | 212241.27 | 539404.50 | 291664.88 | 623899.62 | |
| Cohibin A | 621976.69 | 172604.02 | 273907.62 | 156698.45 | |
| Cohibin C | 7304981.50 | 3157158.67 | 4302625.17 | 2778480.25 | |
| Convicine | 84855.54 | 100728.16 | 84449.04 | 98363.09 | |
| Coproporphyrin I | 259731.85 | 215065.63 | 194219.09 | 110215.72 | |
| Coriandrone D | 77712.72 | 82125.02 | 94037.50 | 95011.91 | |
| Creatine | 222537556.00 | 232894549.33 | 224158106.67 | 223093045.33 | |
| CTAB | 448054.41 | 556235.10 | 550252.70 | 432979.62 | |
| Cyclic AMP | 392324.13 | 140853.49 | 283498.05 | 142146.66 | |
| Cyclohex-2-enone | 104980.54 | 126902.02 | 74283.96 | 78412.33 | |
| "cyclopropane phosphatidylethanolamine (dihexadec-9,10-cyclo... | 3564201.38 | 3708089.17 | 3314712.75 | 3735465.83 | |
| Cys/Asn/Pro/Arg/Ser | 754801.23 | 618198.98 | 816026.04 | 673909.88 | |
| Cys/Asp/Asp/Met/Arg | 162459.73 | 105526.40 | 127839.06 | 108892.74 | |
| Cys/Asp/Glu/His/Trp | 2296813.88 | 3550467.92 | 2869630.42 | 3479577.42 | |
| Cys/Asp/Glu/Phe/Tyr | 4132548.31 | 4850810.67 | 4675440.42 | 6983590.67 | |
| Cys/Asp/Gly/His/Pro | 147135.17 | 104345.88 | 119148.27 | 113049.71 | |
| Cys/Asp/His/His/Thr | 108438.93 | 206025.19 | 153654.59 | 189019.56 | |
| Cys/Asp/Lys/Met/Asn | 564662.64 | 165794.06 | 367483.90 | 173320.71 | |
| Cys/Asp/Met/Arg/Trp | 1473494.97 | 1740280.88 | 1693064.92 | 1773305.75 | |
| Cys/Asp/Phe/Pro/Pro | 2936713.12 | 2204980.71 | 4691471.50 | 2192547.46 | |
| Cys/Cys/Asp/Asp/Thr | 36696.43 | 80269.98 | 3759.00 | 83246.20 | |
| Cys/Cys/Asp/Gly/Ser | 96554.21 | 83786.28 | 66112.85 | 108305.74 | |
| Cys/Cys/Asp/His/His | 201717.54 | 140894.11 | 211499.86 | 80185.98 | |
| Cys/Cys/Asp/Lys/Gln | 12705837.25 | 8588740.33 | 12068507.67 | 8814484.00 | |
| Cys/Cys/Asp/Pro/Trp | 2206073.06 | 2727953.33 | 3021698.17 | 3531878.75 | |
| Cys/Cys/Cys/Asp/Gly | 438792.01 | - | 3759.00 | - | |
| Cys/Cys/Gly/His/Lys | 319333.33 | 222668.18 | 327367.13 | 232226.61 | |
| Cys/Cys/His/His/Trp | 791476.02 | 666115.76 | 701978.88 | 480377.22 | |
| Cys/Cys/Ile/Lys/Pro | 392670.25 | 305950.34 | 353686.30 | 332421.12 | |
| Cys/Gly/Arg/Arg/Tyr | 3755194.00 | 4722632.17 | 3882203.17 | 5439174.83 | |
| Cys/Gly/His/Asn/Arg | 299875.86 | 155639.28 | 249513.06 | 167835.60 | |
| Cys/Gly/Pro | 1117145.64 | 1606825.67 | 1360944.00 | 1634909.21 | |
| Cys/His/His/Lys/Tyr | 495669.10 | 250823.57 | 357917.08 | 152330.43 | |
| Cys/His/Ile/Gln/Gln | 9289085.50 | 7226904.17 | 9295976.00 | 6666409.17 | |
| Cys/His/Lys/Asn/Pro | 141384.64 | 86368.17 | 127143.32 | 80840.91 | |
| Cys/His/Lys/Pro/Gln | 190738.95 | 170703.98 | 192348.28 | 141728.72 | |
| Cys/His/Lys/Tyr/Tyr | 337672.50 | 504344.23 | 462555.21 | 519193.32 | |
| Cys/Lys/Arg/Thr/Trp | 394836.80 | 105927.05 | 295829.24 | 127344.70 | |
| Cys/Lys/Asn/Arg/Tyr | 122224.43 | 126829.40 | 139901.97 | 145766.27 | |
| Cys/Lys/Pro/Pro | 338408.59 | 55855.32 | 101300.61 | 54379.80 | |
| Cys/Phe/Gly/Gly | 389745.11 | 683553.90 | 410228.75 | 859905.29 | |
| Cys/Phe/His/His/Asn | 736829.05 | 229803.48 | 692844.68 | 120919.14 | |
| Cys/Phe/Pro/Arg/Arg | 2596487.25 | - | 949016.48 | - | |
| Cys/Phe/Trp/Trp/Trp | 85361.53 | 70949.32 | 99619.00 | 57366.76 | |
| Cys/Ser/Ser/Tyr/Tyr | 319741.28 | 229273.36 | 211582.59 | 180983.71 | |
| Cysteinyl-Hydroxyproline | 642996.57 | 1143440.62 | 558485.72 | 1478596.83 | |
| Cys/Thr/Thr/Thr | 338255.97 | 83876.02 | 209438.28 | 76111.45 | |
| Cys/Tyr | 138580.89 | 405577.70 | 147426.52 | 443829.80 | |
| Cytidine | 913931.62 | 494770.82 | 581702.71 | 493674.52 | |
| Cytidine monophosphate | 2582433.50 | 1275239.33 | 1624740.04 | 1200278.12 | |
| Cytosine | 1030294.59 | 604149.58 | 747128.19 | 708180.25 | |
| dADP | 280900.44 | 199214.02 | 295834.21 | 207240.70 | |
| dCMP | 1631173.56 | 2416771.58 | 2600776.83 | 2400153.96 | |
| Deidaclin | 232326.31 | 432491.70 | 199842.67 | 364278.16 | |
| Demeclocycline | 249508.11 | 281409.40 | 437795.32 | 298820.95 | |
| Demecolcine | 342375.80 | 406612.73 | 343027.23 | 432122.73 | |
| Demethoxyfumitremorgin C | 1040174.47 | 1007336.98 | 1262954.46 | 1257268.25 | |
| Demethylated antipyrine | 405898.59 | 537070.71 | 406590.06 | 482940.97 | |
| Deoxyadenosine | 232831.67 | 131335.38 | 199733.39 | 133519.95 | |
| Deoxyadenosine monophosphate | 6803893.50 | 1578329.50 | 4893675.17 | 1390546.71 | |
| Deoxycytidine | 3089294.19 | 601056.86 | 1393818.50 | 620335.10 | |
| DG(39:0) | 513592.91 | 617105.30 | 750495.77 | 562265.99 | |
| diamide | 215884.86 | 157317.53 | 170093.94 | 160380.44 | |
| Dieporeticenin | 947062.91 | 355103.52 | 509005.98 | 365254.86 | |
| Diethanolamine | 470915.85 | 698654.79 | 572870.91 | 489059.27 | |
| Dihydrothymine | 1695328.75 | 2023014.83 | 1634819.21 | 2080224.25 | |
| dioctylamine | 2282271.03 | 2089078.25 | 2387656.42 | 1749187.50 | |
| DL-2-Aminooctanoic acid | 3562506.69 | 3661757.33 | 3584352.42 | 3596165.50 | |
| dodecyltrimethylammonium | 207714.30 | 206320.75 | 191694.20 | 199289.75 | |
| Dopa | 13555569.25 | 13718814.33 | 12436864.67 | 13179578.00 | |
| Dopachrome | 707126.37 | 882906.92 | 903856.42 | 838324.96 | |
| "dTDP-3,4-dioxo-2,6-dideoxy-D-glucose" | 399287.22 | 250906.69 | 295076.65 | 271232.80 | |
| Enigmol | 2149850.50 | 1723463.25 | 1816401.29 | 1563832.83 | |
| Epinephrine | 456964.41 | 239579.76 | 283458.91 | 260410.18 | |
| Ergothioneine | 1416729.03 | 713011.30 | 1545015.17 | 457470.40 | |
| "erythro-(2R,3R)-dihydroxybutylamide" | 1159268.19 | 945563.83 | 1080996.96 | 934494.56 | |
| Erythrose 4-phosphate | 52236.05 | 97343.43 | 67779.73 | 121086.31 | |
| Ethyl -3-hydroxybutyrate | 3857871.56 | 3729925.54 | 4553925.08 | 2647503.67 | |
| Ethyl beta-D-glucopyranoside | 533782.12 | 425071.73 | 420417.66 | 352985.34 | |
| Ethyl carbamate | 1636517.53 | 286755.34 | 868388.23 | 309744.93 | |
| Eucaglobulin | 385747.55 | 369140.23 | 385892.24 | 365381.58 | |
| Fabianine | 439190.43 | 415174.70 | 447116.90 | 449306.09 | |
| FAD | 283295.58 | 173372.66 | 187376.58 | 153642.52 | |
| Fasoracetam | 388233.02 | 623397.27 | 410248.49 | 592486.88 | |
| FeHM | 2373511.56 | 1639854.27 | 2734700.04 | 929611.92 | |
| Fenugreekine | 251466672.00 | 166759029.33 | 215130656.00 | 172976677.33 | |
| flutolanil | 307806.96 | 2029606.92 | 447485.39 | 2710789.75 | |
| Folic acid | 86825.55 | 75584.38 | 77339.06 | 72188.15 | |
| formylaminopyrimidine | 912718.59 | 461481.27 | 568493.95 | 479954.41 | |
| fumiquinazoline F-indoline-3^-ol | 525232.39 | 601976.96 | 612002.54 | 617091.55 | |
| Galactose 1-phosphate | 66801.59 | 68630.82 | 51778.62 | 54152.88 | |
| gamma-Aminobutyric acid | 97898640.00 | 128901800.00 | 94723480.00 | 115278056.00 | |
| Gamma-Butyrolactone | 283212.10 | 332567.25 | 309469.82 | 290324.11 | |
| gamma-Glutamylcysteine | 5461910.12 | 9594172.33 | 6080124.00 | 8473581.67 | |
| gamma-glutamyl-isopropylamide | 305417.07 | 272404.11 | 283793.93 | 271427.22 | |
| gamma-glutamyl-L-alaninol | 74711.91 | 42828.44 | 61409.38 | 41063.10 | |
| gamma-Glutamylleucine | 575828.45 | 501320.01 | 599796.35 | 488149.30 | |
| Gamma-glutamyl-L-putrescine | 48090.98 | 54227.60 | 45694.17 | 52941.45 | |
| Gamma-Glutamyl-Se-methylselenocysteine | 289609.14 | 86142.31 | 179479.66 | 112515.79 | |
| Gln/Gln/Gln/Gln | 806914.56 | - | 333641.20 | - | |
| Gln/Gly/Pro/Pro | 274978.45 | - | 113957.49 | - | |
| Gln/Leu/Thr/Gln | 1531016.72 | 693772.29 | 1154867.88 | 705995.88 | |
| Gln/Trp/Pro/Tyr | 550477.78 | 262697.42 | 456309.69 | 321873.00 | |
| Glu/Ala/Gln/Pro | 160693.01 | - | 63267.20 | - | |
| Glu/Arg/Arg/Arg/Tyr | 614790.61 | 1531828.88 | 874912.92 | 1722756.96 | |
| Glu/Cys/Cys | 280861.30 | 324440.06 | 276836.58 | 312317.32 | |
| Glu/Cys/Thr | 609941.75 | 350836.54 | 463320.57 | 356396.27 | |
| Glu/Gln | 399512.90 | - | 270746.48 | - | |
| Glu/Glu/Gln/Ile | 235525.20 | - | 148708.27 | - | |
| Glu/Glu/Gln/Leu | 242800.98 | 164368.92 | 190334.82 | 150109.00 | |
| Glu/Glu/Glu/Ile/Met | 410606.70 | 93893.23 | 214612.81 | 63389.96 | |
| Glu/Glu/Glu/Lys/Trp | 321676.99 | - | 144701.36 | - | |
| Glu/Glu/Lys/Pro | 935005.97 | 169200.73 | 547724.68 | 146281.84 | |
| Glu/Glu/Met/Ser | 297069.99 | - | 138158.96 | - | |
| Glu/Glu/Phe/Phe/Arg | 327513.09 | - | 159039.57 | 32050.62 | |
| Glu/Glu/Pro/Pro | 109403.26 | 30709.58 | 65479.28 | 35873.94 | |
| Glu/Gly | 78915.90 | 41440.94 | 65649.01 | 36744.31 | |
| Glu/His | 1654372.53 | - | 818918.69 | - | |
| Glu/Ile/Gln/Gln | 265438.52 | - | 35723.76 | - | |
| Glu/Ile/Gln/Thr | 6943489.88 | 4743051.50 | 5972809.00 | 4654555.50 | |
| Glu/Ile/Ile/Gln/Trp | 548674.02 | - | 165333.53 | - | |
| Glu/Ile/Lys/Pro/Arg | 271133.02 | 62455.79 | 265504.89 | 52476.51 | |
| Glu/Ile/Pro/Pro | 1162875.62 | 318097.50 | 892047.33 | 325507.44 | |
| Glu/Lys | 3982818.56 | 1302488.17 | 2220719.17 | 1299625.42 | |
| Glu/Lys/Lys/Gln/Tyr | 493865.63 | 306763.90 | 393207.35 | 315379.25 | |
| Glu/Lys/Pro/Gln/Tyr | 524284.68 | 776734.60 | 776699.17 | 560611.09 | |
| Glu/Met/Phe | 1652727.14 | 822546.48 | 1063928.17 | 754603.81 | |
| Glu/Met/Thr | 233057.31 | 196059.14 | 192816.75 | 216566.73 | |
| Glu/Phe/Lys/Gln/Val | 1154093.09 | 976312.81 | 1184586.27 | 813572.33 | |
| Glu/Pro/Glu | 631783.08 | 56977.40 | 321338.41 | 50752.25 | |
| Glu/Pro/Pro | 1580000.72 | 1319821.25 | 1205502.25 | 1342689.83 | |
| Glu/Pro/Val | 192052.19 | 62795.00 | 174158.88 | 68047.33 | |
| Glu/Ser/Thr | 222626.32 | 178320.02 | 214830.90 | 173060.33 | |
| Glutamine | 227180288.00 | 275454922.67 | 231232485.33 | 278608234.67 | |
| Glutathione | 223866712.00 | 104308184.00 | 178462357.33 | 99022157.33 | |
| Glu/Trp/Trp/Cys | 772927.16 | 654403.73 | 464762.47 | 468902.23 | |
| Glycerophosphocholine | 171695428.00 | 248864101.33 | 319151285.33 | 248856485.33 | |
| Gly/His | 14374303.50 | 14627198.00 | 14158524.33 | 14244110.33 | |
| Gly/Leu | 4123778.50 | 278702.44 | 1713597.71 | 280057.61 | |
| Gly/Pro | 1945313.25 | 689570.71 | 1526232.50 | 671681.58 | |
| Gly/Pro/Arg | 220811.80 | 93140.07 | 163334.58 | - | |
| Gly/Pro/Pro | 2797891.19 | 284028.28 | 1263431.33 | 272156.88 | |
| Gly/Ser/His | 325648.44 | 269914.48 | 318502.59 | 281130.45 | |
| Guanine | 3169013.00 | 1593027.75 | 4262843.33 | 1796573.42 | |
| Guanosine | 539938.28 | 140758.50 | 635850.10 | 165698.27 | |
| Guanosine diphosphate | 67453.36 | 43571.87 | 54445.10 | 49296.26 | |
| Guanosine monophosphate | 236338.66 | - | 71202.01 | 31914.99 | |
| Heliamine | 5644447.25 | 5685823.50 | 5752782.17 | 5788002.17 | |
| Heterophyllin | 95992.77 | 69450.96 | 99074.09 | 79281.82 | |
| Hexaethylene glycol | 13247540.00 | 5188883.41 | 26407925.29 | 6189429.33 | |
| hexenedioylcarnitine | 179606.94 | 189468.27 | 162155.23 | 211049.97 | |
| Hexylamine | 320535.39 | 414971.73 | 349117.16 | 415874.82 | |
| His/His/Asn/Trp/Trp | 419576.77 | 1055489.42 | 611325.17 | 1296729.38 | |
| His/His/His/Lys/Gln | 443715.78 | 142506.68 | 379596.97 | 155287.86 | |
| His/His/His/Lys/Tyr | 198564.21 | 117002.12 | 145770.68 | 102004.66 | |
| His/His/Lys/Met/Val | 1774547.34 | - | 619479.52 | - | |
| His/Ile/Met/Arg/Thr | 292173.92 | 312141.24 | 294312.36 | 273548.61 | |
| His/Ile/Met/Met/Thr | 302825.92 | - | 166022.22 | - | |
| His/Ile/Met/Met/Trp | 225853.52 | 45536.71 | 149127.42 | 48618.67 | |
| His/Ile/Met/Pro/Arg | 862459.41 | 598000.92 | 921715.60 | 599490.73 | |
| His/Leu/Lys/Pro | 588123.23 | 328390.28 | 478790.36 | 303749.36 | |
| His/Lys/Trp/Ser | 866978.31 | 330184.17 | 649104.90 | 318283.03 | |
| His/Phe | 340056.62 | 55414.33 | 125255.83 | - | |
| Histidine | 3578154.50 | 1185493.50 | 1932069.29 | 1150023.60 | |
| Histidine trimethylbetaine | 8856590.25 | 8887683.00 | 9065028.33 | 8779214.33 | |
| His/Val/Asp | 179429.95 | 98172.81 | 147074.11 | 104941.77 | |
| His/Val/Asp/Asp | 2803919.19 | 103912.68 | 1273371.12 | 131338.51 | |
| Homoglutathione | 3714227.62 | 3647726.58 | 3874604.67 | 3841157.33 | |
| Homo-L-arginine | 655505.27 | 131473.96 | 394800.23 | 131384.01 | |
| hydroxyisovaleroyl carnitine | 2445156.25 | 2543777.67 | 2511936.58 | 2382089.00 | |
| Hydroxyprolyl-Proline | 362185.10 | 173524.10 | 246163.42 | 194008.83 | |
| Hypoxanthine | 87601416.00 | 90029704.00 | 93160568.00 | 92990578.67 | |
| Ile/Ala | 26891455.00 | 847658.98 | 10698351.33 | 899985.77 | |
| Ile/Ala/Gly | 172549.61 | 82422.98 | 104969.02 | 125342.27 | |
| Ile/Arg | 343301.48 | 114608.12 | 193100.75 | 125796.45 | |
| Ile/Asn | 1586895.59 | 132534.43 | 579392.40 | 131362.56 | |
| Ile/Cys/Phe | 674053.59 | 1097091.00 | 917638.33 | 1294477.00 | |
| Ile/Cys/Tyr | 161981.59 | 335127.43 | 220523.96 | 357259.23 | |
| Ile/Gly/His | 1294995.25 | 750832.50 | 1101066.25 | 844731.35 | |
| Ile/Gly/Met | 217253.52 | 65472.45 | 47391.12 | - | |
| Ile/Gly/Phe | 140443.79 | 81165.90 | 119496.89 | 90023.92 | |
| Ile/Gly/Pro | 246440.02 | 87915.64 | 167246.80 | 96841.04 | |
| Ile/Gly/Val | 808974.05 | 115667.41 | 480636.07 | 162659.45 | |
| Ile/His/Ser | 332889.15 | 160798.45 | 197059.99 | 174501.32 | |
| Ile/His/Val | 19350018.50 | 9798162.33 | 17177776.67 | 9783454.33 | |
| Ile/Lys | 402488.05 | 157491.95 | 232162.95 | 150025.12 | |
| Ile/Lys/Met/Met/Tyr | 389224.22 | 272403.65 | 354257.91 | 312837.44 | |
| Ile/Lys/Pro | 48158577.00 | 45023976.00 | 51069366.67 | 46219356.00 | |
| Ile/Lys/Ser | 159607.84 | 144925.74 | 138978.45 | 129979.86 | |
| Ile/Met/Ser/Thr/Tyr | 297598.21 | - | 139366.27 | - | |
| Ile/Met/Ser/Tyr | 881896.58 | 55464.00 | 463830.55 | 55044.04 | |
| Ile/Met/Thr/Ser | 851035.28 | 406121.52 | 573463.57 | 332925.22 | |
| Ile/Phe/Thr/Pro | 179739.07 | - | 77360.77 | - | |
| Ile/Pro | 2550976.00 | 2691110.42 | 2647412.92 | 2621300.58 | |
| Ile/Pro/Pro | 384742.73 | 103906.21 | 159801.38 | 100328.59 | |
| Ile/Pro/Ser | 423826.16 | - | 104712.47 | - | |
| Ile/Ser/Val | 903345.23 | 447768.55 | 628284.29 | 460452.92 | |
| Ile/Thr | 2039012.91 | 493791.38 | 1078749.12 | 378191.31 | |
| Imidazoleacetic acid | 170208.66 | 144395.80 | 185286.14 | 131707.09 | |
| Iminoglycine | 536098.37 | 239179.54 | 368858.20 | 229928.02 | |
| Indenestrol A | 184616.59 | 211168.89 | 187294.73 | 199477.00 | |
| indole-3-acetonitrile oxide | 157014.64 | 455484.89 | 173925.09 | 523034.71 | |
| Inosyl-L-homocysteine | 701583.25 | 592734.64 | 628404.85 | 604801.83 | |
| Isoleucine | 24773878.50 | 25100677.33 | 24308810.00 | 20378190.67 | |
| Isonicotineamide | 24269984.00 | 16323851.00 | 21145826.67 | 16810670.00 | |
| Isopentyl beta-D-glucoside | 1567639.00 | 1299462.19 | 1307720.10 | 898762.50 | |
| Isosophoranone | 196471.14 | 183331.71 | 182930.61 | 152688.44 | |
| Jasminine | 541512.78 | 453962.22 | 506475.26 | 477487.26 | |
| Kanzonol V | 285871.80 | 262583.89 | 279654.73 | 233033.91 | |
| Labienoxime | 506317.33 | 487911.64 | 501817.81 | 474264.93 | |
| Lenticin | 17249579.00 | 16080301.33 | 17341243.00 | 15694771.67 | |
| Leu/Ala | 5655691.25 | 5569531.33 | 5662512.17 | 5696896.33 | |
| Leu/Asn/Gly | 802349.67 | 166169.48 | 513619.65 | 148093.31 | |
| Leu/Asp | 2189786.97 | 966917.98 | 1496446.38 | 1008533.23 | |
| Leucine | 36167143.00 | 55990777.33 | 47108242.67 | 48972984.00 | |
| Leu/Gly/His | 334023.63 | 142549.91 | 244421.07 | 158694.62 | |
| Leu/Gly/Pro | 278329.14 | 51221.58 | 206877.99 | 53185.20 | |
| Leu/His | 4978561.62 | 182751.99 | 1859148.25 | 196964.98 | |
| Leu/Leu/Pro/Ser | 22045028.00 | 542903.77 | 9187803.33 | 520339.05 | |
| Leu/Met/Thr/Ser | 712504.56 | 170223.88 | 460292.78 | 240055.43 | |
| Leu/Pro | 17194109.25 | 3061933.92 | 9992642.00 | 2703592.83 | |
| Leu/Pro/Ser | 206193.51 | 52148.60 | 99722.22 | 58348.21 | |
| Leu/Ser | 276348.17 | 155395.31 | 191658.27 | 155090.12 | |
| Leu/Ser/Tyr | 1594503.62 | 560774.44 | 1025735.17 | 562431.98 | |
| Licoricone | 540702.29 | 330863.16 | 425039.99 | 335663.85 | |
| Linamarin | 165352.59 | 173390.73 | 185989.79 | 180535.02 | |
| "L,L-Cyclo(leucylprolyl)" | 186232.73 | 161754.32 | 208923.89 | 181802.53 | |
| Lotaustralin | 13825616.75 | 13469234.33 | 13688495.67 | 13412312.00 | |
| LPC | 224172.68 | 235410.67 | 278674.44 | 275350.00 | |
| Lupinate | 163823.38 | 171561.69 | 169828.39 | 179275.96 | |
| Lycoflexine | 1713876.06 | 1711678.33 | 1675839.12 | 1701761.96 | |
| Lys/Asn | 57004.91 | 34663.30 | 52540.39 | 42957.27 | |
| Lys/Asp/Pro | 172941.45 | - | 129125.88 | - | |
| Lys/Gly | 306351.75 | - | 132189.65 | - | |
| Lys/Gly/His | 400553.84 | - | 237487.68 | - | |
| Lys/His | 1247037.34 | 134062.13 | 475204.84 | 137366.61 | |
| Lysine | 36036006.00 | 6489328.83 | 17597693.00 | 6459201.67 | |
| "Lysine 1,6-lactam" | 4736495.62 | 4683016.92 | 4847810.83 | 5294209.17 | |
| Lys/Met/Met/Val/Tyr | 191607.34 | 87916.50 | 106920.75 | 87628.07 | |
| LysoPC(14:0) | 224930.43 | 138641.03 | 181370.31 | 124897.39 | |
| LysoPC(16:0) | 2919135.12 | 3521186.17 | 3321935.67 | 3423248.58 | |
| LysoPC(18:0) | 1727183.00 | 3253471.83 | 2280274.58 | 3550503.58 | |
| LysoPC(18:1) | 3137028.25 | 3492894.33 | 3113951.83 | 3250081.67 | |
| LysoPC(18:2) | 1056897.84 | 971173.23 | 943222.81 | 916203.48 | |
| LysoPC(P-16:0) | 2299760.81 | 3369962.08 | 3104750.83 | 3271979.17 | |
| LysoPE(14:0) | 125877.41 | 127948.39 | 152946.53 | 89713.62 | |
| LysoPE(16:0) | 1130729.38 | 1258771.94 | 1589315.62 | 1208969.54 | |
| LysoPE(18:0) | 317143.84 | 298726.64 | 336919.67 | 274118.14 | |
| LysoPE(18:1) | 3278132.38 | 3661159.75 | 3921504.33 | 3414640.42 | |
| LysoPE(O-18:0) | 516240.31 | 429912.68 | 562289.90 | 448712.81 | |
| LysoPI(13:0) | 831669.91 | 92236.26 | 366828.70 | 65129.86 | |
| LysoPS(18:2) | - | 608437.38 | 504238.91 | 671678.40 | |
| Lys/Phe | 98605.46 | 136409.55 | 124180.37 | 128296.38 | |
| Lys/Pro | 19900842.50 | 992336.17 | 8818671.83 | 816786.04 | |
| Lys/Pro/Pro | 522390.23 | 128744.58 | 299917.84 | 121516.16 | |
| Lys/Ser | 425436.91 | 229550.46 | 290064.91 | 225041.99 | |
| Lys/Thr/Ser/Tyr | 1627182.84 | 1143552.92 | 1521892.46 | 1110915.67 | |
| Lys/Trp/Val/Gly | 235367.14 | - | 109091.24 | - | |
| Lys/Tyr | 950269.59 | 322870.24 | 645242.88 | 310400.82 | |
| Lys/Val/Pro | 192033.67 | 141580.67 | 161608.14 | 161960.33 | |
| magnesium-protoporphyrin IX 13-monomethyl ester | 406162.85 | 224306.14 | 400271.73 | 165051.60 | |
| Majusculoic acid | 250165.02 | 153933.62 | 168888.40 | 141046.28 | |
| manumycin B | 299984.08 | 95401.17 | 204661.65 | 97641.99 | |
| Mayolene-20 | 423210.62 | 207602.31 | 179865.49 | 158866.61 | |
| Mercaptoethanol | 1568197.00 | 408190.46 | 390110.14 | 2109292.17 | |
| Mesuol | 362371.00 | 474670.81 | 397621.33 | 507811.78 | |
| Met/Ala/Gly | 675352.47 | 570259.60 | 628771.95 | 546295.54 | |
| Methionine | 5353231.00 | 10281558.33 | 6741943.50 | 8833702.67 | |
| Methionine sulfoxide | 715384.84 | 723347.42 | 745417.58 | 789292.90 | |
| Methocarbamol | 3061981.06 | 1324796.65 | 3408397.58 | 775726.21 | |
| Methyl 2-diazoacetamidohexonate | 594794.44 | 416646.80 | 605158.88 | 338995.18 | |
| Met/Met/Met/Pro | 248176.03 | - | 62571.38 | - | |
| Met/Met/Thr | 386250.80 | 94245.63 | 166576.20 | 134282.38 | |
| Met/Phe/Asp | 166114.38 | 99585.72 | 155699.79 | 114659.11 | |
| Met/Ser | 77666.94 | 308271.57 | 147529.33 | 412545.54 | |
| Met/Thr/Asp | 220285.67 | 199066.42 | 221866.40 | 185093.71 | |
| Met/Thr/Thr/Thr/Thr | 827942.97 | 477519.26 | 801630.29 | 476289.54 | |
| Mimosine | 601221.77 | 76165.95 | 281861.85 | 91065.58 | |
| Montecristin | 2657411.44 | 1338732.17 | 1756257.50 | 1098569.88 | |
| Muramic acid | 1274475.50 | 1264977.38 | 1027122.12 | 1256695.75 | |
| mycaminose | 888734.08 | 905580.35 | 794888.67 | 760730.29 | |
| Myxochelin A | 757314.02 | 559584.55 | 588591.22 | 460090.51 | |
| N-(1-Deoxy-1-fructosyl)leucine | 660287.73 | 554456.46 | 571026.23 | 561684.71 | |
| N-(1-Deoxy-1-fructosyl)proline | 212447.05 | 176232.73 | 183997.16 | 191154.62 | |
| N-(3-oxooctanoyl)-L-homoserine | 301320.27 | 267574.58 | 278873.20 | 291189.81 | |
| N4-Acetylaminobutanal | 6758266.75 | 6261924.33 | 6263287.67 | 6214361.33 | |
| N6-Acetyl-L-lysine | 901533.33 | 560207.19 | 667087.96 | 533837.41 | |
| N6-Acetyl-N6-hydroxy-L-lysine | 393548.75 | 411501.99 | 384148.34 | 392480.80 | |
| N(6)-Methyllysine | 343365.58 | 186406.02 | 333358.76 | 178417.31 | |
| "N6,N6,N6-Trimethyl-L-lysine" | 107067176.00 | 68982253.33 | 88505730.67 | 74780536.00 | |
| N-a-Acetyl-L-arginine | 478452.36 | 302330.76 | 367542.20 | 350863.15 | |
| "N-Acetyl-2,3-dihydro-1H-pyrrole" | 386048.52 | 375294.83 | 432365.09 | 412049.90 | |
| N-Acetyl-D-fucosamine | 457652.93 | 496891.58 | 458883.56 | 568957.88 | |
| N-Acetylhistidine | 913444.03 | 1034648.83 | 1057679.15 | 1006557.75 | |
| N-Acetylisatin | - | 401457.01 | 182021.59 | 480407.17 | |
| N-acetyl-L-2-aminoadipate(2-) | 356808.45 | 325815.46 | 333180.68 | 388801.83 | |
| N-Acetyllactosamine | 1757376.56 | 1537485.46 | 1754366.54 | 1551078.67 | |
| N-Acetylmannosamine | 662042.86 | 573877.54 | 631336.48 | 579385.29 | |
| N-acetyl-O-acetylneuraminate | 843712.41 | 1169620.02 | 1388053.21 | 1430686.25 | |
| N-Acetylputrescine | 21999426.00 | 21455384.67 | 22126012.67 | 22230902.67 | |
| Nalpha-(3-hydroxy-3-methylhexanoyl)-L-glutamine | 512293.41 | 312182.29 | 399592.36 | 300411.84 | |
| Nalpha-[-3-methylhex-2-enoyl]-L-glutamine | 419862.87 | 450166.78 | 477500.81 | 450726.78 | |
| Nalpha-Methylhistidine | 174022.14 | 100672.96 | 131739.54 | 118068.51 | |
| N(alpha)-t-Butoxycarbonyl-L-leucine | 511919.47 | 447306.30 | 472665.09 | 425249.02 | |
| N-Desalkyl flurazepam | 253069.27 | 134784.85 | 225057.39 | 138843.07 | |
| N-D-Glucosylarylamine | 873722.45 | 559803.94 | 713256.54 | 741262.35 | |
| N-(docosanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine | 17027078.00 | 20594844.67 | 24277336.67 | 19662106.00 | |
| N-(docosanoyl)-pentadecasphingadienine-1-phosphoethanolamine | 3878188.25 | 4537098.83 | 4571643.17 | 4428623.50 | |
| Nebrosteroid M | 1333047.97 | 1874883.25 | 1773372.12 | 1532271.12 | |
| N-(eicosanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine | 3212347.38 | 3537397.92 | 3505184.83 | 3557771.58 | |
| "Ne,Ne dimethyllysine" | 596455.98 | 178584.62 | 415956.81 | 185712.06 | |
| Neotussilagine | 346695.14 | 343173.14 | 360576.24 | 341865.25 | |
| N-(hexacosenoyl)-sphinganine-1-phosphocholine | 1397827.16 | 1134155.42 | 1012242.65 | 904011.69 | |
| N-Hexadecanoylpyrrolidine | 243473.30 | 323626.43 | 278529.97 | 333838.94 | |
| N-hydroxy-L-dihomomethionine | 1035754.19 | 1007339.40 | 998872.21 | 1017575.65 | |
| Niacinamide | 45826231.00 | 62392306.67 | 56333305.33 | 51712546.67 | |
| Nicotinamide hypoxanthine dinucleotide | 5956584.62 | 4143058.92 | 5474485.67 | 4228713.92 | |
| Nicotinic acid | 1854422.78 | 2228673.50 | 3388085.58 | 2003659.71 | |
| N-Methylalanine | 1417839.28 | 1564933.25 | 1497745.21 | 1471540.17 | |
| N-(tricosanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine | 4952514.25 | 5897254.50 | 4836116.25 | 5747896.00 | |
| nva-FMDP | 163950.20 | 188992.07 | 211917.83 | 171856.99 | |
| O-(17-carboxyheptadecanoyl)carnitine | 60238.86 | 75642.62 | 76490.57 | 67071.61 | |
| Octylamine | 7631517.25 | 7666619.33 | 7870575.67 | 7712520.83 | |
| Oleoylcarnitine | 726123.70 | 878285.56 | 804099.10 | 898933.79 | |
| O-methylandrocymbine | 255369.24 | 54042.81 | 153249.61 | 50522.82 | |
| O-Phosphoethanolamine | 5244754.75 | 2996148.00 | 3504684.92 | 2684072.67 | |
| Ophthalmic acid | 810471.28 | 699645.69 | 698508.90 | 720180.98 | |
| O-Succinylhomoserine | 525675.08 | 173324.27 | 307308.32 | 172042.12 | |
| Otonecine | 1077660.38 | 1110010.50 | 1044703.17 | 1082086.38 | |
| Oxidized glutathione | 1674888.66 | 1761424.75 | 1109244.73 | 1870678.92 | |
| Palmitoylcarnitine | 487483.98 | 819841.44 | 665067.94 | 746178.92 | |
| Pantothenic acid | 2502550.44 | 1212012.17 | 1531129.46 | 1262498.96 | |
| PA-PI | 910420.88 | 1339539.12 | 1630975.38 | 1668306.96 | |
| PC(13:0) | 768545.38 | 1256844.33 | 1273783.46 | 1097675.10 | |
| PC(14:1) | 1146309.84 | 1270163.83 | 1357321.67 | 1091223.56 | |
| PC(14:2) | 340533.16 | 276963.83 | 391528.56 | 288880.09 | |
| PC(15:1) | 789746.19 | 677922.67 | 735308.50 | 643059.62 | |
| PC(29:1) | 3811541.00 | 2691965.75 | 2869763.75 | 2687135.17 | |
| PC(30:0) | 9980598.00 | 9092945.33 | 9243359.00 | 8443574.50 | |
| PC(31:2) | 4030005.38 | 4208008.00 | 3294857.83 | 4453367.25 | |
| PC(32:0) | 16574662.00 | 14752770.67 | 13401009.00 | 14054833.67 | |
| PC(32:1) | 74935656.00 | 41851981.33 | 50081229.33 | 45909182.67 | |
| PC(32:2) | 9070240.75 | 4697195.33 | 7031770.50 | 4676168.00 | |
| PC(32:3) | 2343562.53 | 1265955.08 | 1972748.54 | 1320431.04 | |
| PC(33:1) | 29914985.50 | 24096536.67 | 27837241.33 | 22688302.00 | |
| PC(33:3) | 6934854.75 | 7059504.33 | 3149455.50 | 7448264.67 | |
| PC(33:4) | 2405615.69 | 3133680.50 | 2721719.17 | 3304162.58 | |
| PC(33:5) | 1940737.94 | 2309823.92 | 1994754.67 | 2349321.75 | |
| PC(34:1) | 322567432.00 | 291062570.67 | 297809754.67 | 289353461.33 | |
| PC(34:2) | 138167952.00 | 115998133.33 | 122600754.67 | 116543045.33 | |
| PC(35:1) | 6034192.12 | 4640219.67 | 4699153.08 | 4585191.33 | |
| PC(35:2) | 1675708.81 | 1146982.21 | 1309319.04 | 1166423.17 | |
| PC(35:4) | 2653557.56 | 2186325.17 | 2367016.71 | 2812764.42 | |
| PC(35:5) | 7780677.00 | 8081607.67 | 7305053.33 | 8715261.17 | |
| PC(36:1) | 237081476.00 | 243052704.00 | 219286133.33 | 243738784.00 | |
| PC(36:2) | 134857048.00 | 129479117.33 | 123161186.67 | 134851445.33 | |
| PC(36:4) | 33485251.50 | 38267465.33 | 35063180.67 | 38613886.67 | |
| PC(36:5) | 11530993.00 | 9592501.33 | 10497934.67 | 9367181.17 | |
| PC(38:3) | 8638108.25 | 9166705.67 | 8048872.00 | 9126346.00 | |
| PC(38:4) | 19181145.00 | 20486845.33 | 18099800.67 | 19287512.67 | |
| PC(38:5) | 3739309.12 | 3613306.92 | 3249875.83 | 3475078.08 | |
| PC(38:6) | 1165234.72 | 987374.02 | 1031935.17 | 1004512.98 | |
| PC(40:5) | 7935954.50 | 8479239.17 | 7220342.00 | 8513200.17 | |
| PC(40:6) | 6149709.00 | 6168686.00 | 5794345.50 | 6179001.33 | |
| PC(40:7) | 2257497.72 | 2731266.67 | 2660079.58 | 2676136.25 | |
| PC(O-16:0) | 1242466.84 | 1806480.46 | 1529364.88 | 1786590.96 | |
| PC(P-32:0) | 1137150.34 | 1407012.38 | 1144241.54 | 1212905.33 | |
| PC(P-34:1) | 7634217.75 | 9090082.33 | 8801724.00 | 9899879.00 | |
| PC(P-36:1) | 1919674.47 | 2227621.00 | 2194278.75 | 2415995.58 | |
| PC(P-36:2) | 1205858.03 | 1734230.46 | 1584673.54 | 1907099.79 | |
| PE(19:0) | 857747.94 | 755002.42 | 692159.23 | 767245.25 | |
| PE(32:1) | 1330388.22 | 1054734.94 | 1124173.62 | 1086022.83 | |
| PE(33:0) | 3453804.50 | 2763012.92 | 3560992.25 | 2177117.21 | |
| PE(33:1) | 6295406.50 | 2924968.67 | 4063616.25 | 3107563.50 | |
| PE(34:0) | 7418287.75 | 6716848.00 | 5989139.83 | 6632164.33 | |
| PE(34:1) | 34681574.00 | 33719451.33 | 30909317.33 | 30997316.00 | |
| PE(34:2) | 13739345.75 | 13435600.00 | 14233932.67 | 16136214.33 | |
| PE(35:0) | 94738620.00 | 98137946.67 | 86463760.00 | 89887888.00 | |
| PE(35:1) | 26260875.50 | 14259209.33 | 18826257.67 | 14817418.67 | |
| PE(36:1) | 11601531.75 | 7537378.50 | 8271765.50 | 5906478.00 | |
| PE(36:2) | 19750292.50 | 16024293.67 | 16223800.00 | 15641858.67 | |
| PE(36:4) | 7976657.38 | 9403486.00 | 8302723.00 | 9320019.67 | |
| PE(37:2) | 56681017.00 | 47669236.00 | 40209084.67 | 49789002.67 | |
| PE(37:3) | 12968791.25 | 5562883.67 | 11185231.67 | 8211311.33 | |
| PE(38:1) | 41522306.00 | 35614510.67 | 36547409.33 | 34785685.33 | |
| PE(38:2) | 10972171.25 | 8587394.17 | 9392798.33 | 8858068.67 | |
| PE(38:4) | 5735898.00 | 4501141.92 | 4714821.33 | 5362930.00 | |
| PE(38:5) | 3596414.38 | 5336129.00 | 4562188.42 | 5291113.83 | |
| PE(39:1) | 46417970.00 | 44324174.67 | 28957136.67 | 48142748.00 | |
| PE(39:4) | 36060519.00 | 31825222.00 | 32781192.00 | 32245660.67 | |
| PE(41:1) | 2967550.31 | 3296672.75 | 3065797.08 | 3346876.50 | |
| PE(41:2) | 2127629.34 | 2542730.08 | 2101565.96 | 2624098.92 | |
| PE(41:4) | 7661592.75 | 10624646.00 | 8750469.67 | 10575634.33 | |
| PE(41:5) | 7034254.50 | 8664822.67 | 8305498.83 | 8961024.33 | |
| PE(41:6) | 2085502.06 | 1812630.96 | 1988493.75 | 1879378.83 | |
| PE(42:5) | 1347586.97 | 1124639.08 | 1238766.08 | 1287292.21 | |
| penem CGP31608 | 318303.31 | 310563.00 | 240234.36 | 361651.71 | |
| pentaethylene glycol | 44354356.00 | 39166715.67 | 40177204.00 | 24942787.67 | |
| pentetate | 871667.06 | 378163.86 | 685473.65 | 411119.00 | |
| PE(O-38:5) | 4451109.94 | 5217217.00 | 4220691.42 | 5315930.67 | |
| PE(P-20:0) | 778565.12 | 877287.38 | 1014333.88 | 934837.38 | |
| PE(P-36:1) | 5055621.00 | 5686708.83 | 5293432.00 | 5264339.17 | |
| PE(P-38:4) | 3952082.38 | 4783694.67 | 3928642.83 | 4651630.67 | |
| PE(P-40:4) | 1252624.19 | 1265165.96 | 1093937.42 | 1187115.29 | |
| PE(P-40:5) | 1635103.66 | 1857868.96 | 1534305.25 | 1810935.79 | |
| Phe/Ala | 2099792.03 | 503541.06 | 1079850.62 | 412449.95 | |
| Phe/Asn | 8937956.00 | 712182.10 | 4148225.75 | 786851.12 | |
| Phe/Gly | 5538342.62 | 246248.91 | 2226784.42 | 243821.62 | |
| Phe/Gly/Arg/Arg/Trp | 233477.76 | 90179.41 | 122167.67 | - | |
| Phe/Gly/His | 355206.53 | 45858.82 | 185847.51 | 41687.97 | |
| Phe/Gly/His/Lys/Arg | 1571618.81 | 974556.62 | 1504557.50 | 936798.94 | |
| Phe/Lys/Arg/Thr/Tyr | 261138.52 | 674527.54 | 442708.04 | 721081.23 | |
| Phenylalanine | 25285105.50 | 18209929.33 | 21974260.67 | 14710574.33 | |
| Phenylethylmalonamide | 542832.02 | 196925.12 | 364617.65 | 205855.12 | |
| phenyl sulfoxide | 116196.56 | 148677.33 | 151684.41 | 167919.46 | |
| Phe/Pro/His | 497547.81 | 102553.37 | 266352.58 | 103414.92 | |
| Phe/Thr | 1071788.19 | 298200.38 | 692194.60 | 374457.07 | |
| Phe/Thr/Pro | 1247790.45 | 99700.13 | 351400.98 | - | |
| Phe/Thr/Thr/Tyr | 154913.79 | 156563.97 | 169262.70 | 117959.23 | |
| PHODiA-PG | 586784.64 | 209618.61 | 472995.14 | 188510.90 | |
| Phosphinothricin | 130790.74 | 95234.19 | 122257.48 | 105784.27 | |
| Phosphonoacetaldehyde | 13785151.00 | 14403743.00 | 16327837.33 | 14677536.67 | |
| Pipecolic acid | 160163444.00 | 26998818.67 | 70844205.33 | 21492863.33 | |
| Pipericine | 199732.00 | 281206.46 | 255378.64 | 293773.03 | |
| Piperidine | 5574599.62 | 749217.12 | 2593660.25 | 639611.58 | |
| piperidine-3-carboxylate | 6098262.50 | 3973151.25 | 5036311.83 | 4285221.00 | |
| platensimycin | 7924706.62 | 384444.93 | 2898240.25 | 314008.91 | |
| Polyoxyethylene dioleate | 548076.58 | 225778.92 | 252984.38 | 163602.56 | |
| POV-PG | 676333.30 | 430909.11 | 495692.33 | 430766.69 | |
| Pro/Ala/Asp | 2244463.31 | 118723.05 | 846100.71 | 135928.02 | |
| Pro/Ala/Glu | 1832965.09 | 106441.14 | 744424.40 | 87242.42 | |
| Pro/Ala/Glu/Phe | 650550.70 | 138077.33 | 302796.44 | 112406.08 | |
| Pro/Ala/Pro | 288421.92 | 234450.73 | 274665.99 | 244122.41 | |
| Pro/Asn | 29424838.00 | 2444521.42 | 16776553.33 | 2449493.50 | |
| Pro/Asn/Ala | 439453.90 | 85554.18 | 310697.02 | 75159.65 | |
| Pro/Asp | 262346040.00 | 15140773.33 | 115546200.00 | 12778712.67 | |
| Procaterol | 132774.26 | 120267.74 | 130087.04 | 135703.29 | |
| Pro/Glu | 52216708.00 | 4127167.33 | 25560552.00 | 3989473.92 | |
| Pro/Glu/Asn | 226436.32 | - | 120306.56 | - | |
| Pro/Glu/Asn/Phe | 292583.04 | - | 173188.92 | 49519.47 | |
| Pro/Gly/Ala | 1738869.19 | 827770.85 | 1330042.04 | 886740.27 | |
| Pro/Gly/Gly/Pro | 596030.23 | 299466.24 | 501770.95 | 313417.32 | |
| Pro/His | 3169708.62 | 236429.03 | 1555089.42 | 208533.55 | |
| Proline | 266114772.00 | 165818277.33 | 204114106.67 | 141211514.67 | |
| Pro/Pro/Pro | 630033.41 | 213096.62 | 399989.04 | 214685.44 | |
| Pro/Pro/Ser | 916041.17 | 147181.70 | 550814.61 | 132888.04 | |
| Pro/Pro/Val/Gln | 23982240.50 | 264412.28 | 7228683.50 | 300715.92 | |
| Pro/Ser | 1729895.81 | 582685.00 | 1219892.52 | 665996.06 | |
| Pro/Thr | 161526436.00 | 9052810.33 | 90755960.00 | 8890651.00 | |
| Pro/Trp | 12770014.00 | 398948.52 | 5158788.33 | 397306.79 | |
| Pro/Trp/Thr | 2758471.88 | 86385.43 | 950330.83 | 68791.94 | |
| Pro/Tyr | 1175786.84 | 215391.02 | 584455.47 | 229438.54 | |
| Pro/Val/Asn | 1813631.38 | 92444.84 | 647766.96 | 83427.97 | |
| Pro/Val/Asn/Phe | 99804656.00 | 2002423.17 | 50215506.67 | 1936290.92 | |
| Pro/Val/Gln/Ala | 8806351.75 | 1843454.00 | 5024299.17 | 1906751.00 | |
| PS(36:0) | 1867009.06 | 1028925.69 | 1320053.04 | 985503.90 | |
| PS(36:1) | 4988486.38 | 3933739.17 | 3663724.58 | 3168822.42 | |
| PS(38:4) | 3630345.06 | 4837640.00 | 3588555.75 | 4105849.17 | |
| Pseudoconhydrine | 523481.34 | 423295.55 | 530092.29 | 448579.77 | |
| Pyrene | 2069223.50 | 2051005.83 | 2445017.00 | 2221180.67 | |
| Pyridoxal | 1620599.28 | 2417608.83 | 2097428.29 | 2457967.00 | |
| Pyridoxine | 12159682.75 | 10821376.00 | 12818891.67 | 10978023.67 | |
| Pyridoxine 5^-phosphate | 1072613.23 | 496594.58 | 750855.52 | 503595.36 | |
| Quinaldic acid | 925415.41 | 3037009.50 | 1080776.35 | 3558644.75 | |
| quinocarcin | 194060.04 | 48660.51 | 140047.55 | 41588.45 | |
| quinoline-4-carboxylate | 347676.78 | 1178657.35 | 344876.85 | 1356683.33 | |
| Riboflavin | 712383.92 | 881522.27 | 659918.04 | 785640.15 | |
| Roxatidine acetate | 227894.59 | 200256.94 | 233949.78 | 231542.07 | |
| Sarcodon scabrosus Depsipeptide | 214655.07 | 227031.36 | 198611.68 | 214505.36 | |
| Se-Adenosylselenohomocysteine | - | 720259.90 | 197359.48 | 664751.27 | |
| Senecionine | 1385513.03 | 616452.56 | 772378.19 | 641175.90 | |
| Ser/His | 307758.07 | 93093.48 | 202251.57 | 88919.31 | |
| Serine | 1690366.47 | 1547632.54 | 1457234.58 | 1451680.29 | |
| Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside | 271130.13 | 716425.60 | 466505.10 | 872789.75 | |
| Slaframine | 6857852.00 | 6783329.33 | 6810259.83 | 6710199.50 | |
| SM(d32:1) | 3253384.00 | 3757780.17 | 3554827.08 | 3990252.42 | |
| SM(d36:1) | 2543956.88 | 3051557.50 | 2411114.79 | 2826129.50 | |
| SM(d36:2) | 2545632.50 | 3203781.75 | 2660550.17 | 3055719.08 | |
| SM(d40:1) | 8690354.62 | 8870365.33 | 7057758.00 | 8051335.83 | |
| SM(d40:2) | 3685977.69 | 4460366.83 | 3630776.67 | 4256481.75 | |
| SM(d41:1) | 2415477.53 | 2532875.33 | 1926235.71 | 2001576.00 | |
| SM(d42:1) | 24101649.50 | 23307782.67 | 18087418.83 | 18487267.00 | |
| SM(d42:2) | 37707163.00 | 41916653.33 | 33825864.67 | 42312182.67 | |
| SM(d44:2) | 2058786.06 | 1892127.54 | 1744645.00 | 2176372.71 | |
| sn-glycero-3-Phosphoethanolamine | 261620.51 | 295013.66 | 363098.76 | 293198.80 | |
| Sphinganine 1-phosphate | 341429.61 | 269984.69 | 278644.58 | 264339.42 | |
| Stearoylcarnitine | 1290593.41 | 1651798.75 | 1619632.33 | 1562209.21 | |
| Swainsonine | 442514.58 | 488278.56 | 472811.83 | 485659.51 | |
| Tenuazonic acid | 427910.66 | 364773.48 | 419686.31 | 348909.33 | |
| Termitomycesphin A | 9102203.88 | 6157309.50 | 6512959.83 | 6317696.67 | |
| Tetradecene | 1714313.97 | 2074195.67 | 1607827.08 | 1007278.19 | |
| Tetraethylammonium | 388067.27 | 417581.35 | 380754.30 | 401743.55 | |
| Tetraethylene glycol | 12922645.00 | 16660562.67 | 14273801.67 | 12491813.33 | |
| TG(50:3) | 1473937.59 | 468689.01 | 733973.29 | 437960.30 | |
| TG(54:5) | 3067098.88 | 2058678.46 | 2168286.17 | 1580014.73 | |
| TG(54:6) | 2019212.66 | 1289817.67 | 1439397.69 | 969077.98 | |
| TG(56:8) | 685965.00 | 545485.76 | 558249.66 | 393247.01 | |
| Thiamine monophosphate | 3814770.69 | 1083125.12 | 2440496.00 | 1081038.27 | |
| Thiamine pyrophosphate | 2890459.06 | 795927.71 | 1434103.50 | 835801.90 | |
| thiazolidine-4-carboxylate | 145844.83 | 217630.86 | 171898.33 | 198953.77 | |
| Thiomorpholine 3-carboxylate | 263809.36 | 188295.16 | 283330.33 | 173327.03 | |
| Thr/Ala | 186616.75 | 171407.90 | 203655.27 | 221931.75 | |
| Thr/Ala/Ser | 1664685.00 | 1087969.33 | 1395822.50 | 1133551.79 | |
| Thr/Cys | 420761.36 | 552309.81 | 431913.18 | 413642.98 | |
| "threo-2-Amino-3,4-dihydroxybutanoic acid" | 207553.50 | 132838.51 | 150359.57 | 133586.34 | |
| Threonine | 17410662.50 | 12174231.33 | 13613847.00 | 11537979.00 | |
| Thr/Gln | 408754.34 | 119998.03 | 238251.04 | 118164.59 | |
| Thr/Gly | 420586.08 | 93005.19 | 269123.26 | 87510.54 | |
| Thr/His | 339886.55 | 125644.34 | 220446.96 | 103594.99 | |
| Thr/Lys | 456439.90 | 86763.93 | 187345.17 | 97226.48 | |
| Thr/Pro/Glu/Glu | 196821.84 | - | 49163.62 | - | |
| Thr/Pro/Pro | 303358.81 | 140091.46 | 217310.78 | 128380.93 | |
| Thr/Pro/Thr | 2369042.69 | 93172.19 | 1205016.08 | 172532.44 | |
| Thr/Thr/Thr | 1230851.53 | 230705.60 | 631501.85 | 218934.98 | |
| Thr/Thr/Thr/Thr | 999678.00 | 253769.18 | 716008.21 | 278133.12 | |
| Thr/Trp/Cys | 634284.34 | 488083.36 | 708007.81 | 472667.97 | |
| Thr/Val | 1559108.03 | 307434.83 | 597073.19 | 319909.69 | |
| tridecadienoic acid | 6952587.38 | 4818882.56 | 9837162.48 | 2771827.94 | |
| Triethanolamine | 191158.71 | 249584.59 | 235350.98 | 248883.10 | |
| triethylene glycol | 3125347.16 | 4530624.83 | 4194828.25 | 3950301.00 | |
| Tritoqualine | 156569.33 | 170283.22 | 134389.04 | 159337.50 | |
| Trp/Cys/Gly | 148269.44 | 188375.99 | 150698.59 | 216691.83 | |
| Trp/Gln | 343063.86 | 206588.26 | 309005.90 | 217423.75 | |
| Trp/Gly | 498417.65 | - | 180313.21 | - | |
| Trp/Gly/Ser | 129993.08 | 96017.38 | 110318.93 | 69376.52 | |
| Trp/Val | 270705.58 | 127930.40 | 234224.63 | 116056.95 | |
| Tryptophan | 7908221.00 | 4714778.67 | 7431916.17 | 4061803.42 | |
| Tyr/His | 1288142.38 | 58519.71 | 457920.32 | 66491.40 | |
| Tyr/Tyr | 2817358.88 | 1293206.12 | 2642649.42 | 1179689.92 | |
| Uridine 5^-diphosphate | 449975.80 | 459512.54 | 414505.03 | 398221.19 | |
| Val/Ala | 405984.69 | 367306.68 | 352613.33 | 295736.24 | |
| Val/Arg | 388462.27 | 191498.49 | 277977.96 | 216221.83 | |
| Val/Asp | 2788964.62 | 1351632.17 | 1633762.25 | 1386029.83 | |
| Val/Asp/Asp | 129042.12 | - | 73814.49 | - | |
| Val/Glu | 1589318.22 | 717676.65 | 1119310.08 | 711748.60 | |
| Val/Gly | 1063881.25 | 139817.68 | 489016.48 | 154485.56 | |
| Val/Gly/Ala | 941018.70 | 460364.01 | 678848.92 | 514629.19 | |
| Val/Gly/His | 192414.11 | 133402.38 | 247753.83 | 188446.97 | |
| Val/Gly/Pro | 966154.91 | 100355.72 | 552832.40 | 103701.28 | |
| Val/His | 3710532.69 | 914022.83 | 1520561.25 | 872085.06 | |
| Valine | 28552035.00 | 26648621.33 | 29741132.67 | 27691932.67 | |
| Val/Leu | 3985162.56 | 1054772.42 | 2657332.17 | 1135474.25 | |
| Val/Leu/Gly/Ala | 787093.22 | - | 364699.52 | - | |
| Val/Lys | 6245481.75 | 327052.82 | 2684921.75 | 335598.20 | |
| Val/Pro | 11946927.00 | 1639229.25 | 2589886.50 | 1411000.50 | |
| Val/Pro/His | 170987.44 | - | 104370.30 | - | |
| Val/Pro/Pro | 1568012.44 | 71771.15 | 426144.08 | 79012.37 | |
| Val/Ser/Ser | 2124977.00 | 1606284.79 | 1843859.83 | 1613105.12 | |
| Val/Val | 5761398.12 | 457384.65 | 2229786.67 | 473898.13 | |
| Val/Val/Tyr/Pro | 2678798.88 | 593150.62 | 1467337.96 | 575484.06 | |
| VIM-II(d42:1) | 887936.75 | 2662786.92 | 1436307.50 | 3220032.00 | |
| Vindoline | 373806.05 | 51397.89 | 166468.01 | 44899.68 | |
| "xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole" | 414835.97 | 145532.60 | 260066.15 | 158243.54 |
Factors:
| F1 | Treatment:DMSO |
| F2 | Treatment:KAE609_20x_IC50 |
| F3 | Treatment:KAE609_5x_IC50 |
| F4 | Treatment:WEHI-1888504 |
