Data for ST004291
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 1-Nitrohexane | 18054039.75 | 16307470.75 | 19587108.20 | |
| 1-octyl-2-octyl-sn-glycero-3-phosphocholine | 391523.93 | 381095.83 | 397220.93 | |
| 1-Pyrroline-2-carboxylic acid | 132219.79 | 156496.42 | 125914.27 | |
| 2,4-pentadienoic acid | 155561.65 | 139963.21 | 144643.87 | |
| (2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phos... | 68298.19 | 41986.10 | 40709.79 | |
| 2,6-dideoxy-2-acetamidino--L-galactose | 664673.52 | 389990.98 | 419501.34 | |
| 2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-a... | 217346.50 | 216424.89 | 239015.82 | |
| 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate | 128909.85 | 108863.46 | 117483.30 | |
| 2^-deamino-2^-hydroxy-6^-dehydroparomamine | 118591.39 | 102974.75 | 146113.68 | |
| 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid | 184465.89 | 175064.18 | 218876.46 | |
| 2-Hydroxy-3-(phosphonatooxy)propanoate | 179132.99 | 145254.86 | 166931.86 | |
| 2-Oleoylglycerophosphocholine | 2193414.34 | 2283059.06 | 2481189.30 | |
| 2-Oxoarginine | 261054.13 | 322830.96 | 257201.81 | |
| 2-Palmitoylglycerophosphocholine | 6490445.75 | 6379202.25 | 7271286.70 | |
| 3-(2-propenoic acid)-4,6-hydroxy cyclohexa-2,5-dienone | 3510945.69 | 3534133.88 | 4044115.40 | |
| (3,4,5,6-tetrahydroxyoxan-2-yl)methyl acetate | 637569.63 | 636550.52 | 577253.68 | |
| 3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy]oxane-2-ca... | 7031900.41 | 7876859.16 | 9757129.70 | |
| 3,5-Dichloro-4-hydroxyphenylpyruvate | 83943.62 | 71437.95 | 79408.16 | |
| 3-acetamido-3,6-dideoxy-D-galactose | 42437371.00 | 39130552.50 | 38460096.80 | |
| 3-amino-2,3-dideoxy-scyllo-inosose | 1303166.80 | 536273.78 | 763661.06 | |
| 3-Amino-2-oxopropyl phosphate | 197756.79 | 254496.23 | 216170.27 | |
| 3-Butynoate | 289046.91 | 274743.97 | 237333.53 | |
| 3-Carboxy-4-methoxy-N-methyl-2-pyridone | 782575.20 | 618989.66 | 599816.02 | |
| 3-Dehydrosphinganine | 223217.87 | 215005.43 | 189629.90 | |
| 3-Ethylmalate | 552136.67 | 532073.19 | 564857.24 | |
| 3-Hydroxyisovalerylcarnitine | 1491528.44 | 1464058.73 | 1508046.10 | |
| 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine | 90972.25 | 79796.40 | 90188.19 | |
| 3^-Methoxyfukiic acid | 141387.38 | 144494.98 | 138456.80 | |
| 3-nitro-2-pentanol | 92803.10 | 66477.86 | 177811.40 | |
| 4-(1-methyl-5-hydroxy-2-pyrrolidinyl)-3-oxobutanoate methyl ... | 212719.93 | 219165.22 | 235219.38 | |
| 4a-Hydroxytetrahydrobiopterin | 862087.88 | 715439.65 | 812535.61 | |
| 4-Aminobutyraldehyde | 453307.78 | 448656.54 | 492335.32 | |
| 4-Guanidinobutanoic acid | 386576.33 | 384955.98 | 389471.41 | |
| (4-Hydroxybenzoyl)choline | 750473.64 | 655773.30 | 624524.83 | |
| 4-methylmorpholine N-oxide | 7198958.38 | 6303273.50 | 7716319.40 | |
| 5a-Cholesta-8,24-dien-3-one | 126162.20 | 130330.21 | 132172.33 | |
| 5-Amino-3-oxohexanoate | 239958.99 | 209669.76 | 232162.31 | |
| 5^-amino-5^-deoxyuridine | 94408.89 | 94915.10 | 102338.78 | |
| 5^-Methylthioadenosine | 1538185.91 | 1540115.22 | 2015431.65 | |
| 5-Nitro-2-(3-phenylpropylamino)benzoic acid | 179901.38 | 194740.62 | 212725.91 | |
| 6,7-Dimethyl-8-(1-D-ribityl)lumazine | 403335.58 | 348874.16 | 376703.26 | |
| 6-Acetamido-3-aminohexanoate | 275569.04 | 145967.09 | 153679.68 | |
| 6-amino-6-deoxyfutalosine | 59398.80 | 35212.91 | 42007.94 | |
| 6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydr... | 105276.54 | 106731.34 | 122917.35 | |
| 6-Methyltetrahydropterin | 1020684.45 | 1283325.84 | 1390909.60 | |
| 6-Thioinosinic acid | 214911.90 | 255782.41 | 223903.79 | |
| 7-Dehydrocholesterol | 83007.11 | 94147.87 | 101162.09 | |
| 8-Amino-7-oxononanoate | 3430137.31 | 3155755.91 | 3333049.40 | |
| Acetylcholine | 8371962.75 | 7370193.00 | 7762042.00 | |
| Adenine | 556044.49 | 498033.39 | 578435.08 | |
| Adenosine | 257317.72 | 212167.12 | 253251.35 | |
| Adenosine monophosphate | 5982246.25 | 4713857.56 | 4892390.25 | |
| Adenosine triphosphate | 95527.21 | 69707.68 | 122099.17 | |
| Ala/Ala/Ala/Ser | 99547.17 | 76363.59 | 108556.52 | |
| Ala/Glu/Glu/His | 1071687.59 | 930574.98 | 1301639.20 | |
| Ala/Ile/Pro/Pro/Ser | 1579611.97 | 1492241.77 | 1514919.59 | |
| Ala/Leu/Asn/Pro | 73064.61 | 65847.49 | 94668.78 | |
| Ala/Lys/Lys/Asp | 125425.37 | 138501.39 | 229632.13 | |
| Alanine | 4364166.75 | 4008290.38 | 3897410.65 | |
| Alanyl-Proline | 80921.66 | 63414.28 | 126757.69 | |
| Ala/Val/Gly/Pro | 179090.65 | 134726.44 | 171970.28 | |
| aminocaproamide | 2154477.88 | 2067160.50 | 2221241.08 | |
| Aminohydroquinone | 101587.47 | 100040.84 | 110165.56 | |
| aminooctadecane-diol | 210263.89 | 228051.01 | 220203.96 | |
| Arabitol | 421997.38 | 110015.76 | 110031.76 | |
| Arginine | 8912773.38 | 8106836.75 | 9862838.60 | |
| Arg-OEt | 56118.84 | 66436.19 | 80040.26 | |
| Asn/Leu/Pro/Pro | 509583.66 | 419612.37 | 561042.74 | |
| Asparaginyl-Proline | 734176.11 | 774208.42 | 853690.53 | |
| Aspartyl-L-proline | 3755391.29 | 3911192.00 | 4596378.40 | |
| Asp/Asp/Pro/Ser/Trp | 755426.22 | 821256.23 | 946203.09 | |
| Asp/Cys/Cys/Ser | 85071.23 | 51644.17 | 61504.87 | |
| Asp/Val/Pro/Ser | 520186.27 | 487670.20 | 531402.26 | |
| benzalkonium | 170519.97 | 180714.74 | 158542.36 | |
| beta-aspartyl-L-leucine | 145362.26 | 130558.87 | 145784.40 | |
| Biotin amide | 491320.92 | 456192.23 | 449972.31 | |
| But-2-enoic acid | 65944.41 | 50284.78 | 62279.97 | |
| Butyrylcarnitine | 714646.77 | 706153.07 | 693250.38 | |
| C17 Sphinganine | 77488.21 | 131894.02 | 83719.55 | |
| casuarine | 820781.46 | 605098.73 | 648504.14 | |
| Cholesteryl acetate | 915126.92 | 785431.83 | 814518.85 | |
| Citrulline | 4307734.38 | 3060894.62 | 4135404.60 | |
| CMP-N-trimethyl-2-aminoethylphosphonate | 659666.16 | 551139.98 | 664636.03 | |
| Creatine | 358565904.00 | 332386040.00 | 325666214.40 | |
| Creatinine | 264695.04 | 218417.80 | 217733.35 | |
| Cyclic ADP-ribose | 1579927.58 | 1699228.75 | 2063802.02 | |
| Cys/Asp/Phe/His/Pro | 1831664.45 | 2130969.42 | 2195509.42 | |
| Cysteinyl-Tyrosine | 115228.37 | 64029.71 | 116147.96 | |
| D-desosamine | 677349.29 | 606134.27 | 638163.24 | |
| Dethiobiotin | 159958.99 | 119977.38 | 116497.12 | |
| DG(20:1/16:1/0:0) | 2483994.67 | 2387429.78 | 2388986.98 | |
| Dihydrothymine | 1971332.50 | 1772329.94 | 2224103.17 | |
| Dihydroxyacetone phosphate | 158675.92 | 53347.10 | 48875.19 | |
| Diphthamide | 84823.06 | 78334.27 | 101547.36 | |
| Dopa | 546821.16 | 602757.95 | 616225.04 | |
| Ectoine | 254947.19 | 315976.71 | 305207.08 | |
| Febrifugine | 150858.32 | 123506.95 | 136381.01 | |
| gamma-Aminobutyric acid | 3235239.48 | 3481337.44 | 4123529.95 | |
| Gamma-linolenyl carnitine | 321398.60 | 292118.82 | 262659.39 | |
| Gentioflavine | 585828.80 | 687009.31 | 633783.26 | |
| Gluconolactone | 228750.91 | 211768.30 | 242851.44 | |
| Glucose 6-phosphate | 104583.32 | 67067.11 | 77926.06 | |
| Glucose oxime | 167855.97 | 147226.23 | 185731.30 | |
| Glu/Met/Ser | 290257.90 | 194513.98 | 192105.19 | |
| Glutamic acid | 30335954.50 | 27954219.50 | 33213343.20 | |
| Glutamine | 186796516.00 | 171905580.00 | 185137897.60 | |
| Glutamylproline | 1226959.53 | 1213349.53 | 1345430.84 | |
| glutaramate | 30503595.00 | 27371010.50 | 30063059.60 | |
| Glutathione | 1120304.56 | 1181979.48 | 1362048.88 | |
| Glycerophosphocholine | 9955104.25 | 9431789.88 | 10824557.90 | |
| Guanine | 56816.84 | 63373.63 | 113358.44 | |
| Heptadecanoyl carnitine | 804825.26 | 772243.52 | 763549.50 | |
| Hippuric acid | 272000.88 | 208667.98 | 264105.17 | |
| Histidine trimethylbetaine | 349336.13 | 538789.05 | 856123.19 | |
| Histidinyl-Leucine | 70392.29 | 76944.34 | 102960.56 | |
| Homocarnosine | 55594.42 | 58844.07 | 80151.13 | |
| Hydrogen phosphate | 98904.83 | 31810.27 | 32401.22 | |
| Hydroxybutyrylcarnitine | 732124.64 | 684704.32 | 685805.83 | |
| Hydroxyhexanoycarnitine | 134390.06 | 108406.92 | 113274.69 | |
| Hydroxyprolyl-Valine | 251328.59 | 203525.79 | 285594.83 | |
| Ile/Cys/Gly | 477148.73 | 332682.07 | 370894.28 | |
| Ile/Cys/Phe | 89755.49 | 73624.19 | 107384.78 | |
| Ile/Ile/Pro | 100178.04 | 105238.84 | 116906.37 | |
| Ile/Lys/Pro | 2851581.50 | 2673867.16 | 3087715.40 | |
| Imidazoleacetic acid | 77277.17 | 77189.20 | 76233.51 | |
| Indole | 117869.26 | 105937.41 | 104635.15 | |
| indole-3-acetonitrile oxide | 42366.97 | 15545.11 | 48856.93 | |
| Isoleucyl-Alanine | 2267367.31 | 1977555.50 | 2292296.85 | |
| Isoleucylproline | 3327419.81 | 3077206.19 | 3384040.15 | |
| Isonicotineamide | 121052.73 | 97806.74 | 218378.68 | |
| Jasminine | 167404.42 | 182640.84 | 212411.56 | |
| Lenticin | 15216966.75 | 13231959.50 | 11535343.68 | |
| Linamarin | 86628.08 | 71654.69 | 81075.40 | |
| Linoelaidyl carnitine | 1561389.58 | 1376944.08 | 1210023.09 | |
| Longifolonine | 674465.79 | 784684.81 | 640508.75 | |
| Lotaustralin | 3586482.69 | 3107094.19 | 3290152.90 | |
| LysoPC(15:0) | 309592.07 | 313740.92 | 306285.00 | |
| LysoPC(18:0) | 6829401.50 | 6460840.75 | 6821224.40 | |
| LysoPC(20:0/0:0) | 624169.96 | 627817.77 | 550939.49 | |
| LysoPC(O-18:0) | 224156.39 | 259348.98 | 238337.46 | |
| LysoPC(P-16:0) | 585009.16 | 598599.08 | 694526.05 | |
| LysoPC(P-18:0) | 214357.35 | 209274.95 | 251509.63 | |
| LysoPE(0:0/20:4) | 279204.59 | 288775.88 | 347307.23 | |
| LysoPE(18:1) | 587013.57 | 599056.12 | 675639.44 | |
| Lysyl-Proline | 600343.49 | 430671.35 | 499049.71 | |
| Lysyl-Valine | 76580.63 | 48770.01 | 78872.55 | |
| Maleic acid homopolymer | 143677.34 | 116705.92 | 146263.98 | |
| MES | 317337.75 | 304464.83 | 358166.04 | |
| Met/Ala/Gly | 1011712.02 | 991615.44 | 865184.97 | |
| Methacholine | 5092437.69 | 4576285.12 | 4632019.05 | |
| Methionine | 12472287.75 | 10843023.12 | 13247544.00 | |
| Methionine sulfoxide | 1037367.48 | 894382.67 | 956616.34 | |
| Methocarbamol | 2009167.67 | 2424416.88 | 1705524.98 | |
| Muramic acid | 1148435.45 | 1032530.91 | 1135580.96 | |
| mycaminose | 153045.52 | 133655.48 | 135109.33 | |
| Mycinose | 162298.82 | 136166.77 | 170424.11 | |
| Myxochelin A | 187474.86 | 182128.65 | 166719.09 | |
| N-(2,5-Dihydroxyphenyl)pyridinium(1+) | 1031313.73 | 958348.92 | 798947.70 | |
| N3-hydroxyethylcytosine | 3214770.56 | 4034723.06 | 5257151.15 | |
| N5-acetyl-N5-hydroxy-L-ornithine | 644740.85 | 274935.31 | 281335.25 | |
| N6,N6,N6-Trimethyl-L-lysine | 3782683.91 | 3765891.22 | 4508760.20 | |
| N-acetyl-demethylphophinothricin | 90713.93 | 86813.41 | 95074.98 | |
| N-Acetyl-D-glucosamine | 841849.94 | 763110.02 | 859279.47 | |
| N-acetyl -D- glucosaminitol | 394260.62 | 349031.26 | 437237.28 | |
| N-acetyl-L-2-aminoadipate(2-) | 1818125.97 | 1669665.38 | 1881253.73 | |
| N-Acetyllactosamine | 920110.05 | 827442.30 | 882536.00 | |
| N-Acetylleucine | 85692.68 | 78722.23 | 94014.39 | |
| N-Acetyl-L-glutamate 5-semialdehyde | 54997.31 | 62036.37 | 64504.97 | |
| N-(docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine | 786688.14 | 833017.83 | 587673.56 | |
| Ne,Ne dimethyllysine | 92259.27 | 95150.80 | 118595.16 | |
| Neotussilagine | 179410.91 | 151230.14 | 174140.69 | |
| N,N,N-Trimethylethenaminium | 95091.69 | 91793.35 | 105506.44 | |
| N-stearoyl serine | 429853.13 | 384785.63 | 375358.38 | |
| N-Stearoyl tyrosine | 431171.40 | 326258.32 | 320661.08 | |
| N-(tricosanoyl)-tetradecasphingadienine-1-phosphoethanolamin... | 1205811.56 | 1192863.11 | 1268130.07 | |
| Oleoylcarnitine | 7218048.31 | 6387667.69 | 5954078.10 | |
| Ornithine | 3951397.38 | 3511303.38 | 4095588.00 | |
| O-Succinyl-L-homoserine | 120477.00 | 116037.97 | 106534.52 | |
| Otonecine | 521451.98 | 499349.70 | 451290.53 | |
| Oxidized glutathione | 2311993.41 | 1469483.00 | 2631876.50 | |
| PA(43:4) | 271662.71 | 247984.26 | 270887.17 | |
| Palmitoylcarnitine | 7664590.00 | 6939647.31 | 6470944.75 | |
| Pantothenic acid | 1052881.67 | 942381.14 | 1031765.79 | |
| PC(14:1) | 173148.01 | 173857.71 | 190234.64 | |
| PC(DiMe(9,3)/DiMe(9,3)) | 1599761.56 | 1768129.03 | 1803896.27 | |
| PC methyl(16:0) | 575020.03 | 565671.84 | 584012.76 | |
| P-DPD | 56392.33 | 50775.46 | 59403.78 | |
| PE(14:0/20:3) | 361055.50 | 326812.32 | 338835.63 | |
| PE(15:0/20:0) | 10161662.38 | 10692641.50 | 11330366.80 | |
| PE(18:3/P-18:1) | 1091378.80 | 981749.36 | 985123.85 | |
| PE(19:1/0:0) | 152451.98 | 209474.03 | 214253.76 | |
| PE(22:4/P-18:1) | 966152.89 | 962850.94 | 940301.60 | |
| penem CGP31608 | 111437.47 | 111793.16 | 96115.66 | |
| Pentadecanoylcarnitine | 346424.68 | 310512.86 | 315926.91 | |
| Phenylalanyl-Aspartate | 87299.74 | 79036.85 | 82747.96 | |
| phenyl sulfoxide | 897493.99 | 683830.66 | 722864.22 | |
| Phosphorylcholine | 65883422.19 | 64098666.00 | 79903300.80 | |
| Pipecolic acid | 2144158.35 | 2654990.72 | 3307929.85 | |
| Plaunol D | 1405296.55 | 932326.30 | 1381986.37 | |
| potassium dihydrogen phosphate | 75154.04 | 61131.00 | 80292.54 | |
| Prekinamycin | 70121.65 | 59213.64 | 82637.67 | |
| Proline | 48017395.00 | 42984116.00 | 48805892.80 | |
| Propionylcarnitine | 5065703.06 | 4371522.06 | 4648940.58 | |
| Pro/Thr/Thr/Ser | 240469.21 | 278480.23 | 254401.78 | |
| Pyridoxal | 597882.88 | 382299.18 | 473754.00 | |
| Pyridoxine | 5897643.00 | 5446801.88 | 7093664.15 | |
| Pyrophosphate | 118300.61 | 135303.63 | 136191.82 | |
| Resveratrol 4^-(6-galloylglucoside) | 1254880.53 | 1936011.77 | 1759997.18 | |
| Selenium Sulfide | 444906.38 | 392325.84 | 418623.06 | |
| Slaframine | 4803645.56 | 4264417.75 | 4670671.95 | |
| SM(d16:1/24:1) | 988864.56 | 989047.62 | 974865.74 | |
| SM(d18:0/22:1) | 1631008.88 | 1631528.91 | 1433302.96 | |
| SM(d18:1/16:0) | 299771.94 | 318769.44 | 395933.35 | |
| SM(d18:1/18:0) | 1249745.23 | 1183538.61 | 1171319.98 | |
| SM(d18:1/18:1) | 671212.38 | 646684.41 | 715835.68 | |
| SM(d18:2/24:0) | 1063376.53 | 1052073.56 | 1019167.76 | |
| SM(d42:3) | 1772820.03 | 1968654.84 | 1885972.88 | |
| Stearoylcarnitine | 6025686.94 | 5798095.56 | 5367671.05 | |
| Sulfacetamide | 160399.37 | 54142.21 | 78924.06 | |
| Temurin | 130291.82 | 158998.81 | 181890.40 | |
| Theanine | 158453.17 | 136873.90 | 166578.51 | |
| Thiamine | 339778.66 | 313443.60 | 325031.38 | |
| thiomethyl glutamate | 125469.34 | 36348.18 | 39765.16 | |
| Thr/Ala/Ala | 69885.75 | 66149.21 | 64676.66 | |
| Threonine | 2751085.69 | 2641709.38 | 2877452.90 | |
| Thr/Trp/Cys | 100217.35 | 98646.00 | 131042.93 | |
| Tiglylcarnitine | 76014.69 | 86088.42 | 85822.55 | |
| toxoflavin | 228500.47 | 193862.26 | 229260.99 | |
| trans-Hexadec-2-enoyl carnitine | 432753.90 | 378118.80 | 374227.26 | |
| Tryptophan | 1998368.03 | 2049950.97 | 2345992.55 | |
| Type IV cyanolipid 16:0 ester | 201221.97 | 403138.20 | 270285.72 | |
| tyrosinal | 348255.52 | 341237.55 | 443512.68 | |
| Tyrosine | 10676932.00 | 9525415.50 | 11359376.40 | |
| Valerylcarnitine | 1151280.61 | 976366.16 | 934010.90 | |
| Viridiflorin | 598692.82 | 584173.53 | 710834.77 | |
| xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole | 1123229.58 | 1118290.69 | 1257675.50 | |
| Xylose | 220365.84 | 118702.30 | 138667.60 |
Factors:
| F1 | Sample source:iRBC | factor:DMSO |
| F2 | Sample source:iRBC | factor:WEHI-024 |
| F3 | Sample source:iRBC | factor:WEHI-601 |
