Data for ST003790
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|---|
| 13-epi-12-oxo Phytodienoic Acid | 6849709.50 | 5708171.75 | 8469321.14 | 1763443.24 | 1573650.25 | 1356559.46 | |
| 13-OxoODE isomer 2 | 8561616.33 | 7160989.33 | 7670837.58 | 2958842.46 | 2519128.75 | 2378060.94 | |
| 15beta-Hydroxydesogestrel isomer | 1338231.14 | 1198365.01 | 592807.76 | 536082.77 | 370144.59 | 565468.48 | |
| 15-deoxy-delta-12-14-PGJ2 | 833771.49 | 866376.74 | 262671.76 | 297320.31 | 235078.77 | 455473.58 | |
| 17-phenyl-trinor-PGE2 isomer | 427441.22 | 506585.03 | 135109.46 | 150694.15 | 167761.62 | 166888.74 | |
| 1-hydroxy-2-acetamidofluorene isomer | 364114.97 | 319898.34 | 407354.08 | 526445.51 | 554519.08 | 705707.54 | |
| 1-Methyladenosine | 422357.78 | 474095.97 | 5939.30 | 14832.98 | 16954.86 | 37324.71 | |
| 1-Methylguanine | 1410607.19 | 607842.69 | 3887103.69 | 10740021.11 | 22395273.33 | 4432730.42 | |
| 2-Aminooctanoic acid | 3104098.67 | 3435933.71 | 1662299.63 | 2211044.90 | 2609131.44 | 7662831.65 | |
| (2E)-7-carboxyhept-2-enoylcarnitine | 307689.71 | 306779.99 | 13505.38 | 15695.80 | 12296.55 | 43102.43 | |
| 2-Phenylbutyric acid | 17182062.00 | 16840554.50 | 22666899.00 | 26679615.33 | 22925442.67 | 35644674.00 | |
| 3-Acetylacetanilide isomer | 261719.35 | 308957.02 | 10570.75 | 11108.08 | 11253.71 | 48269.88 | |
| 3-Hydroxyhexadecanoylcarnitine | 156149.74 | 128170.05 | 43961.69 | 174641.93 | 213139.56 | 149747.74 | |
| 3-hydroxyoctadecanoylcarnitine | 302702.09 | 313308.99 | 168531.04 | 397804.62 | 324574.90 | 432612.05 | |
| 3-hydroxyoleoylcarnitine | 1742166.88 | 1506267.07 | 70218.31 | 337948.39 | 270034.82 | 174805.81 | |
| 3-hydroxypalmitoleoylcarnitine | 285179.89 | 337915.91 | 49158.21 | 143560.61 | 125316.36 | 70815.31 | |
| 3-hydroxytetradecanoylcarnitine | 366987.37 | 361373.29 | 53232.16 | 111626.22 | 123303.39 | 99898.44 | |
| 3-ketosphingosine isomer | 7718934.08 | 5935157.58 | 4446537.12 | 17566861.08 | 5155079.00 | 47385538.00 | |
| 3-Methoxytyramine | 512843.95 | 602185.82 | 24901.39 | 23827.66 | 28809.67 | 69298.30 | |
| 4_8 Dimethylnonanoyl carnitine | 365081.97 | 315929.69 | 62030.75 | 92161.64 | 96847.00 | 249254.39 | |
| 4-Guanidinobutanoic acid | 2352704.76 | 807769.91 | 415526.85 | 285618.30 | 446421.22 | 624143.11 | |
| 4-Hydroxyisoleucine isomer 1 | 6261421.04 | 4244391.62 | 97684.73 | 293609.12 | 328534.27 | 526883.86 | |
| 4-Hydroxyisoleucine isomer 2 | 6232083.25 | 4209779.04 | 92486.71 | 284077.01 | 318948.37 | 513481.08 | |
| 4-Phenoxypyrimidine isomer | 3484673.00 | 2801026.29 | 9152436.46 | 9560650.92 | 7736704.67 | 8960623.17 | |
| 5-(Benzyloxy)-2-sulfanylphenol isomer | 77905.21 | 74732.32 | 53793.67 | 219517.87 | 725995.97 | 113607.46 | |
| 5-Methylcytidine | 917811.02 | 1180217.78 | 14399.63 | 18261.48 | 13231.54 | 69646.50 | |
| 5-Methylcytosine | 433947.36 | 383766.60 | 268827.68 | 257436.52 | 391357.80 | 176776.61 | |
| 6beta-Hydroxytestosterone isomer | 367242.92 | 356198.28 | 292390.68 | 314816.26 | 276306.99 | 409209.96 | |
| 6-Keto-decanoylcarnitine | 30460.08 | 39399.93 | 14330.27 | 11428.90 | 11505.85 | 17044.06 | |
| 7-dehydrocholesterol | 2751532.35 | 3313842.60 | 2921977.88 | 2291799.83 | 2280704.21 | 2623344.46 | |
| 7-ketocholesterol | 1849773.12 | 1897440.23 | 986757.29 | 700350.69 | 654464.66 | 947267.52 | |
| 8-Amino-7-oxononanoic acid | 478988.45 | 726586.20 | 56539.31 | 126979.10 | 60938.27 | 27692.90 | |
| Acetyl-DL-Valine isomer | 883924.81 | 694066.24 | 546762.64 | 2693225.11 | 14807669.00 | 1531482.44 | |
| adenosine | 6350962.75 | 6906719.21 | 2807758.19 | 4182667.69 | 3231112.71 | 12739252.96 | |
| ADP-ribose | 59447.19 | 53037.57 | 5256.72 | 8344.07 | 43612.10 | 11808.92 | |
| alpha-curcumene | 1306141.62 | 1413471.50 | 333180.35 | 397044.60 | 331707.08 | 399102.62 | |
| alpha-Linolenoyl Ethanolamide | 560584.17 | 627445.45 | 591671.94 | 570671.36 | 426979.63 | 1224499.83 | |
| Amyrone isomer | 2733129.60 | 2907717.33 | 1927686.35 | 2646894.60 | 1808620.52 | 2052137.65 | |
| Androstenedione | 403974.07 | 340623.30 | 301051.52 | 389035.59 | 315427.45 | 585249.65 | |
| Anserine | 138049.14 | 127358.91 | 115047.49 | 110838.76 | 100701.53 | 210974.58 | |
| arachidoyl carnitine C20:0 | 22051.61 | 23911.67 | 29872.51 | 44034.64 | 27809.76 | 68403.27 | |
| Arborinine isomer | 222944.02 | 161417.76 | 31642.36 | 59516.31 | 139648.28 | 75874.49 | |
| Arg Ala | 338475.21 | 304126.42 | 100734.83 | 208564.54 | 298539.60 | 218768.98 | |
| Benzyl butyl phthalate | 347434.97 | 322250.92 | 1413143.46 | 245428.92 | 357892.96 | 287597.17 | |
| Butyryl-L-carnitine | 281466.35 | 132837.17 | 58109.41 | 56359.83 | 60072.64 | 26972.09 | |
| C19:4 | 2543677.88 | 2424523.67 | 579068.20 | 628796.81 | 514837.73 | 880112.16 | |
| C20:7 | 552416.06 | 516284.29 | 213990.63 | 226763.98 | 194639.70 | 335692.66 | |
| C21:5 | 477479.27 | 456779.14 | 307253.54 | 380560.73 | 381733.57 | 403664.71 | |
| C21:6 | 303853.82 | 281617.72 | 231680.67 | 306565.16 | 244567.30 | 288177.24 | |
| Calcitriol | 4682685.12 | 4558967.25 | 1414918.13 | 1666598.90 | 1294842.54 | 1851962.10 | |
| Canrenone | 338172.41 | 335263.47 | 85193.88 | 95794.61 | 67362.46 | 126869.85 | |
| CDP-choline | 255586.65 | 196419.85 | 16561.45 | 30066.17 | 29364.70 | 47283.79 | |
| ceramide(d18:1/16:0) | 99685.66 | 96641.33 | 489331.74 | 321845.59 | 249581.28 | 358569.03 | |
| ceramide(d18:1/18:0) | 34099.49 | 24472.95 | 98697.50 | 136321.45 | 105244.69 | 205206.90 | |
| ceramide-dihydro (d18:0/16:0) | 38664.90 | 32883.32 | 113571.38 | 107822.09 | 139442.41 | 95149.29 | |
| citrulline | 8010651.58 | 5005936.79 | 4710945.83 | 5831389.75 | 6063520.83 | 11075408.96 | |
| CMP | 168150.16 | 105054.26 | 12890.97 | 25202.99 | 84347.66 | 17237.60 | |
| Coscinalactone isomer | 4757488.92 | 4804673.21 | 1071382.56 | 1482769.74 | 997120.49 | 1565723.54 | |
| creatine | 17398930.29 | 7214654.62 | 24811985.50 | 12182588.33 | 26095211.71 | 3290107.27 | |
| Creatinine | 27211274.75 | 3213282.27 | 19254341.31 | 2267278.13 | 5484123.41 | 1627743.88 | |
| cytosine | 309477.05 | 233874.73 | 258119.30 | 310379.99 | 286387.96 | 628412.22 | |
| DAG(34:3) | 607564.64 | 647201.08 | 551212.53 | 683587.61 | 917983.65 | 997415.03 | |
| DAG(34:4) | 376449.34 | 373568.75 | 1385216.87 | 1739650.33 | 2065914.54 | 2840510.42 | |
| DAG(36:4) | 1565851.69 | 1965783.38 | 168652.39 | 161134.15 | 171092.53 | 173522.62 | |
| DAG(36:5) | 1421445.08 | 1763921.07 | 199447.78 | 209633.65 | 206775.40 | 196096.04 | |
| DAG(38:5) | 52260.19 | 68469.21 | 17719.34 | 30852.94 | 24048.76 | 24717.04 | |
| decadienoylcarnitine | 68158.65 | 49911.18 | 21729.12 | 21772.69 | 22819.70 | 8246.61 | |
| Decanoyl-L-carnitine | 203695.02 | 77347.48 | 31098.47 | 108974.35 | 144241.54 | 32513.78 | |
| decenoylcarnitine | 122513.14 | 67679.85 | 67832.08 | 103159.44 | 70736.72 | 23686.46 | |
| Diaminopimelic acid | 478316.41 | 480647.28 | 34875.41 | 57503.86 | 77391.22 | 105352.06 | |
| Dihydroceramide C2 | 786737.49 | 485188.99 | 1549849.98 | 5175641.17 | 2149908.53 | 17817190.00 | |
| Dimethylglycine | 1676567.20 | 1280397.65 | 112389.26 | 198926.82 | 927733.54 | 336153.21 | |
| DL-Pipecolic acid | 3912587.12 | 3497605.67 | 791911.30 | 439389.74 | 491162.62 | 1105953.66 | |
| dodecanoylcarnitine | 2692686.81 | 2696171.10 | 148358.41 | 454530.84 | 574437.07 | 225259.76 | |
| dodecenoylcarnitine | 628510.81 | 414541.27 | 38432.44 | 174094.76 | 179240.24 | 60195.32 | |
| Dulcin | 155794.88 | 143333.53 | 462953.02 | 350499.22 | 296746.91 | 832662.52 | |
| ethyl serine isomer | 2611234.37 | 2434085.62 | 964992.02 | 800639.56 | 861686.87 | 724916.03 | |
| Formimino-L-glutamic acid | 789923.32 | 724877.71 | 3546663.78 | 2327304.40 | 4210029.88 | 1541287.61 | |
| Formylglutathione | 6547.42 | 6838.86 | 5512.46 | 51651.25 | 121345.24 | 17269.16 | |
| Gabaculine | 24432124.00 | 27974447.33 | 870999.14 | 1101356.00 | 1016954.57 | 1228652.36 | |
| Galaxolide isomer | 1743327.21 | 1489019.21 | 356327.84 | 268648.99 | 261789.94 | 291731.32 | |
| gamma-Butyrobetaine | 138450006.67 | 111665164.67 | 96017271.67 | 89359382.67 | 42776949.67 | 153339479.33 | |
| Glaucasterol isomer | 1036466.33 | 1058829.21 | 1136167.71 | 1253055.15 | 1105012.31 | 3153759.83 | |
| Gln-Ala | 1366307.45 | 1576690.45 | 11196.36 | 11510.85 | 12019.80 | 22410.95 | |
| Gln-Glu | 2285104.04 | 2527612.04 | 37476.66 | 40876.98 | 41244.04 | 83547.66 | |
| Glu-Ala | 330637.16 | 352702.24 | 21521.70 | 64149.47 | 153064.96 | 66215.55 | |
| Glutarylcarnitine | 1875080.81 | 1825738.11 | 2040832.32 | 1410887.76 | 803884.51 | 1927465.51 | |
| Glycerophosphocholine | 4945784.15 | 4468967.42 | 1752563.02 | 8329535.25 | 26092494.83 | 3795538.33 | |
| glycolithocholic acid | 196723.67 | 191077.72 | 2584444.25 | 1802300.26 | 851092.34 | 1285474.25 | |
| Glycyl-L-tyrosine | 239108.65 | 294691.23 | 24949.04 | 38197.46 | 29722.51 | 55514.15 | |
| Glycylproline | 617545.73 | 666561.23 | 77533.13 | 88198.18 | 74188.66 | 215427.88 | |
| Heptadecanoyl carnitine | 43090.87 | 46572.20 | 78519.90 | 162109.98 | 89206.98 | 1493779.20 | |
| Heptaethylene glycol isomer | 958854.75 | 1049025.33 | 324225.74 | 242280.27 | 277650.64 | 330822.08 | |
| Heptyl p-hydroxybenzoate | 531485.56 | 558345.19 | 896262.74 | 865182.44 | 888145.00 | 676996.43 | |
| hexadecadienoyl carnitine C16:2 isomer 2 | 184410.89 | 150148.92 | 44973.39 | 183804.22 | 156863.88 | 150120.96 | |
| Hexaethylene glycol | 763370.07 | 892055.30 | 707686.18 | 532563.12 | 618227.11 | 770976.11 | |
| hexanoyl carnitine | 175626.57 | 42141.00 | 35030.63 | 70668.69 | 44471.97 | 25636.19 | |
| hippuric acid isomer | 271821.17 | 247164.01 | 54412.77 | 48244.89 | 76678.50 | 62208.50 | |
| histidine | 613657.52 | 832700.83 | 39268.87 | 37893.26 | 20240.18 | 169238.54 | |
| Homocitrulline | 814535.61 | 916377.10 | 1044319.61 | 485578.39 | 250557.15 | 697435.65 | |
| Homomethionine isomer | 247247.53 | 201886.17 | 63164.08 | 109442.68 | 536452.26 | 169629.37 | |
| Homostachydrine | 16902362.76 | 5717444.96 | 90344.87 | 26041.15 | 20401.41 | 99475.37 | |
| Hydroxyaspergillic acid isomer | 328749.21 | 281696.89 | 817205.84 | 189964.38 | 3552611.05 | 5168344.24 | |
| hypoxanthine | 2715248.95 | 2500448.45 | 2321539.37 | 3476133.60 | 2935550.71 | 4278466.15 | |
| Imidazoleacetic acid | 265539.45 | 113949.79 | 95382.79 | 34758.29 | 35167.40 | 25199.69 | |
| Indole-3-acetaldoxime N-oxide | 95612.66 | 92904.78 | 2175811.19 | 1660673.54 | 3035810.04 | 1966732.69 | |
| Indole-3-acetamide | 102255.13 | 93525.70 | 889756.50 | 693672.74 | 1260005.05 | 645701.57 | |
| Isobutyryl carnitine | 280402.98 | 132619.03 | 56211.49 | 54544.86 | 58716.35 | 24791.41 | |
| kynurenine | 79558.95 | 82119.61 | 129404.58 | 113072.68 | 65093.13 | 92209.36 | |
| Lactose | 167616.00 | 153732.70 | 86007.26 | 95757.76 | 65404.50 | 541872.63 | |
| L-Aspartyl-L-phenylalanine | 189281.38 | 200031.11 | 30907.94 | 52881.97 | 41838.07 | 69015.59 | |
| L-Carnitine | 30115514.50 | 15837724.50 | 14310400.58 | 7195558.25 | 6614636.50 | 8478818.79 | |
| Leu-Ala | 6447715.50 | 6503485.33 | 3106760.94 | 3118991.75 | 5041332.62 | 2602418.72 | |
| Leu-Leu | 507693.86 | 398466.13 | 25441.30 | 44370.34 | 70303.31 | 304977.57 | |
| Leu-Thr isomer | 390127.28 | 254573.29 | 535723.31 | 621595.47 | 769668.56 | 1272217.73 | |
| Leu-Val | 233990.11 | 247449.33 | 726233.40 | 617974.38 | 960849.66 | 2551077.33 | |
| Linderanolide isomer | 19085500.83 | 22858116.17 | 958233.41 | 1095354.74 | 1770111.89 | 1112009.71 | |
| linolenylcarnitine | 99672.28 | 87076.20 | 42308.91 | 266680.01 | 86348.59 | 326572.11 | |
| Linoleoyl carnitine C18:2 | 467433.18 | 463520.45 | 198740.85 | 733462.97 | 374014.90 | 1421362.97 | |
| linoleoyl carnitine C18:2 isomer | 271843.78 | 272825.30 | 175788.34 | 268553.35 | 387020.46 | 411036.95 | |
| L-Pipecolic acid | 1458660.42 | 938702.74 | 200108.17 | 487725.31 | 503216.99 | 717162.20 | |
| Lyso-PAF C-18 | 185704.14 | 259555.82 | 308702.69 | 137607.98 | 84919.06 | 119220.04 | |
| LysoPC(14:0) | 222092.79 | 316886.67 | 453540.83 | 340817.89 | 393737.63 | 134578.87 | |
| LysoPC(16:0) | 3331512.79 | 3840263.52 | 5734327.92 | 3015658.33 | 4043920.08 | 1814864.77 | |
| LysoPC(18:0) | 1133072.53 | 1656082.12 | 6580517.58 | 2699855.86 | 1895559.69 | 1577362.91 | |
| LysoPC(18:1) | 12412965.75 | 16585601.08 | 3295926.85 | 2268959.87 | 1896919.11 | 1472836.76 | |
| LysoPC(20:0) | 184507.29 | 176043.52 | 488360.00 | 228222.90 | 114692.83 | 166363.16 | |
| LysoPC(20:1) | 74276.89 | 78734.10 | 142948.28 | 61841.47 | 35637.58 | 49110.17 | |
| LysoPC(20:2) | 94318.02 | 105250.95 | 139142.17 | 109260.13 | 57398.32 | 62034.02 | |
| LysoPC(20:3) | 391800.56 | 377087.64 | 1435093.73 | 1171506.93 | 1542705.07 | 526625.21 | |
| LysoPC(20:4) | 23539.15 | 35537.75 | 146062.32 | 55343.04 | 88288.30 | 37350.53 | |
| LysoPC(20:5) | 131494.88 | 153608.44 | 24771.87 | 11401.83 | 7822.40 | 5189.47 | |
| LysoPC(22:0) | 147648.73 | 161370.59 | 256217.12 | 208804.02 | 90198.97 | 162379.56 | |
| LysoPC(22:1) | 63286.99 | 74006.77 | 203732.96 | 139882.98 | 60790.90 | 97451.03 | |
| LysoPC(22:6) isomer 2 | 376084.18 | 409557.83 | 61265.87 | 38919.21 | 54619.73 | 8397.70 | |
| LysoPC(24:0) | 154575.77 | 139321.90 | 251384.57 | 175930.82 | 88869.82 | 144045.73 | |
| LysoPC(P-16:0) | 665208.05 | 1735164.85 | 1304681.28 | 1843209.46 | 615163.15 | 883226.54 | |
| LysoPC(P-18:0) | 309787.40 | 633965.29 | 429303.15 | 288205.55 | 185960.46 | 151017.43 | |
| LysoPC(P-18:1) | 133878.61 | 333163.93 | 324298.76 | 472859.39 | 123710.68 | 229319.73 | |
| LysoPE(18:1) | 176450.51 | 267203.34 | 103892.14 | 63235.82 | 54811.96 | 58032.73 | |
| LysoPE(18:2) | 1488773.18 | 2091646.82 | 106250.23 | 74471.04 | 86746.54 | 57246.00 | |
| LysoPE(20:0) | 423065.67 | 599738.61 | 1204939.49 | 750627.95 | 412150.20 | 459854.51 | |
| LysoPE(22:1) | 78430.66 | 104490.04 | 115737.99 | 72962.56 | 44106.85 | 47793.40 | |
| LysoPE(22:6) | 41536.73 | 42726.19 | 12129.29 | 17613.79 | 25024.56 | 30537.48 | |
| LysoPE(24:0) | 27621.94 | 21912.40 | 58575.81 | 33058.32 | 18548.92 | 28822.68 | |
| LysoPE(P-16:0) | 535613.34 | 973275.69 | 2258617.42 | 1395572.68 | 1119621.53 | 633616.84 | |
| Malonylcarnitine | 545537.06 | 680359.85 | 456953.60 | 304310.90 | 282326.38 | 302674.09 | |
| Messagenin isomer | 16108295.17 | 17273945.00 | 26267727.50 | 29379063.00 | 22641166.67 | 28226581.67 | |
| Metalaxyl isomer | 52846.19 | 60249.71 | 14951.58 | 20276.14 | 20493.02 | 16087.98 | |
| methacholine | 199804254.67 | 199788833.33 | 100118438.00 | 124998412.00 | 83824897.17 | 279116446.67 | |
| Methionine sulfoxide | 1229670.21 | 1176137.47 | 419277.61 | 541417.12 | 1130693.84 | 934231.46 | |
| Methylimidazoleacetic acid | 3980207.98 | 3977605.44 | 12474606.70 | 1894324.88 | 12119390.08 | 14244283.50 | |
| Metronidazole isomer | 121314.55 | 120969.36 | 35627.22 | 41122.25 | 45428.35 | 66835.60 | |
| Militarinone A | 88149.53 | 74834.15 | 300003.48 | 236758.57 | 380550.94 | 158404.40 | |
| Myristoylcarnitine C14:0 isomer 1 | 25836669.42 | 21927520.83 | 303139.93 | 325964.50 | 432335.22 | 331748.13 | |
| Myristoylcarnitine C14:0 isomer 2 | 230007.67 | 160314.42 | 151298.17 | 346423.96 | 227609.78 | 516438.57 | |
| N1-Methyl-4-pyridone-3-carboxamide | 2317922.58 | 782159.67 | 1065144.37 | 692957.93 | 1057533.49 | 255886.76 | |
| N5-(4-Methoxybenzyl)glutamine | 17837098.34 | 12722972.96 | 929537.76 | 190915.70 | 139827.38 | 101631.34 | |
| n5-Iminoethyl-l-ornithine | 53648483.33 | 73311108.00 | 8792729.46 | 8214343.42 | 3546779.21 | 5602653.48 | |
| N-Acetylhistamine | 51668975.00 | 55579086.00 | 4218615.46 | 4255916.75 | 5246618.17 | 8674090.79 | |
| N-acetyl-histidine | 1505537.50 | 1365768.97 | 823196.10 | 655239.66 | 1076159.15 | 746925.83 | |
| N-Acetyl-L-arginine | 5160155.67 | 3144288.23 | 3035058.97 | 9296513.75 | 10903983.29 | 6018645.67 | |
| N-acetyl-ornithine | 2941281.38 | 2260946.08 | 1666233.38 | 2063028.25 | 1874743.27 | 1086475.95 | |
| NAD | 7693407.39 | 5926050.08 | 1137522.45 | 3039218.69 | 4915607.38 | 3030570.26 | |
| N-Alpha-acetyllysine | 11760972.58 | 7083386.58 | 2658702.00 | 14180589.00 | 27021976.83 | 10495333.00 | |
| Neocnidilide isomer | 1664570.44 | 1420444.52 | 2286955.79 | 1825999.08 | 1922477.33 | 1396966.65 | |
| n-ethyl-d-serine isomer | 2614151.10 | 2436546.42 | 965897.53 | 801536.79 | 862852.90 | 726293.50 | |
| Netilmicin isomer | 9160918.83 | 11104831.08 | 1522201.24 | 1914660.40 | 2119782.04 | 4171063.65 | |
| nicotinamide | 485213.56 | 253700.96 | 625828.53 | 1060661.55 | 809781.71 | 883146.90 | |
| NN-dimethylarginine | 2250084.46 | 1693513.51 | 540831.17 | 539565.85 | 637300.17 | 1704543.76 | |
| N-N-N-Trimethyl-Histidine | 166790.95 | 169548.23 | 42867.43 | 52648.30 | 44719.02 | 121451.46 | |
| N-Oleoyl Glycine isomer | 1011879.45 | 712451.64 | 325421.81 | 113937.24 | 135274.74 | 110137.17 | |
| N-Palmitoyl tyrosine | 3848835.06 | 3416922.17 | 106430.86 | 93546.82 | 191611.04 | 152956.28 | |
| O-adipoyl-L-carnitine | 756215.44 | 509979.51 | 276258.81 | 234864.46 | 95609.66 | 132001.86 | |
| Octanoylcarnitine | 110882.14 | 30715.05 | 24676.45 | 55415.96 | 41691.79 | 22363.56 | |
| O-(hydroxytetradecadienoyl)-L-carnitine | 207374.88 | 142671.61 | 77408.74 | 162806.55 | 158046.67 | 130330.62 | |
| Oleamide | 46636060.67 | 36202473.00 | 144327772.00 | 634849594.67 | 129921889.33 | 1668381642.67 | |
| Oleoylcarnitine | 667892.55 | 736348.33 | 493900.22 | 990450.48 | 683176.11 | 5335646.48 | |
| Oleoylcarnitine isomer 1 | 345790.54 | 362498.77 | 441557.30 | 611437.87 | 614672.81 | 2661080.30 | |
| Oleoyl Ethanolamide | 21396704.33 | 16278228.33 | 988591.49 | 1206951.65 | 1960760.61 | 6743480.04 | |
| Oleoyl Ethyl Amide isomer | 2275173.44 | 1715217.32 | 12848396.88 | 25316552.17 | 9146573.50 | 43534834.00 | |
| ornithine | 297529.10 | 648826.29 | 547423.07 | 215834.78 | 195413.39 | 98833.67 | |
| O-succinylcarnitine | 1853995.44 | 1774032.52 | 1307439.88 | 1124594.18 | 565968.99 | 1959027.61 | |
| Oxiracetam isomer | 4906603.31 | 3102924.60 | 2515136.81 | 3456085.08 | 2920777.44 | 6520285.33 | |
| Palmitic amide | 146331.32 | 138725.31 | 87466.29 | 342651.59 | 1407568.92 | 156852.02 | |
| palmitoleoylcarnitine C16:1 isomer 1 | 213691.68 | 184166.75 | 119575.63 | 261214.11 | 425325.68 | 286959.63 | |
| palmitoyl carnitine C16:0 isomer 1 | 220122.93 | 272227.84 | 597266.44 | 617808.21 | 777502.08 | 3167699.77 | |
| Palmitoyl Serinol | 211664.62 | 162658.61 | 266214.02 | 748308.04 | 418114.11 | 2203780.60 | |
| Pargyline | 65685.40 | 59976.77 | 36559.85 | 32787.16 | 50087.66 | 81753.47 | |
| PC(16:0/14:0) | 5605.28 | 7046.55 | 157241.12 | 93895.56 | 65040.34 | 46095.12 | |
| PC(16:0/15:0) | - | 3200.20 | 35124.87 | 25428.42 | 12272.33 | 11141.81 | |
| PC(16:0/16:1) | 29442.23 | 38072.90 | 360995.92 | 196173.66 | 125609.14 | 99177.54 | |
| PC(16:0/22:6) | 12674.19 | 11346.05 | 66157.19 | 292948.38 | 36166.25 | 310240.29 | |
| PC(18:0/18:2) | 82450.67 | 104172.70 | 843134.71 | 535163.02 | 207216.82 | 697397.78 | |
| PC(18:1/18:2) | 175047.65 | 198957.19 | 542242.73 | 460843.26 | 168660.53 | 487708.60 | |
| PC(18:2/15:0) | 18193.49 | 29396.22 | 286973.57 | 286296.45 | 128277.92 | 188027.44 | |
| PC(18:2/16:0) | 320492.61 | 411997.23 | 2073378.92 | 887813.54 | 875552.01 | 714950.28 | |
| PC(20:4/18:0) | 5074.29 | 8288.99 | 296425.91 | 945163.99 | 67678.46 | 712579.00 | |
| PC(28:0) | 263628.97 | 453544.03 | 900529.43 | 4078862.88 | 5339260.17 | 1271453.68 | |
| PC(30:1) | 32924.58 | 75652.54 | 93835.09 | 290586.84 | 258394.17 | 199503.30 | |
| PE(16:0/18:2) | 59204.37 | 134374.73 | 176027.36 | 519804.15 | 444895.95 | 552006.88 | |
| PE(16:0/22:6) | 1784.46 | 5189.54 | 55231.97 | 116068.38 | 87762.14 | 43308.88 | |
| PE(17:1/18:2) | 7966.56 | 12690.70 | 38241.56 | 157809.95 | 487030.80 | 36943.15 | |
| PE(18:1/16:0) | 17187.72 | 37487.97 | 176506.00 | 224579.26 | 108532.43 | 232127.80 | |
| PE(20:4/16:0) | 26992.79 | 82039.82 | 233746.12 | 870162.99 | 705892.97 | 618208.69 | |
| PE(20:4/18:0) | 4723.23 | 6808.54 | 454195.52 | 572548.54 | 160760.96 | 183721.66 | |
| PE(20:4/19:0) | 186676.98 | 251621.38 | 841713.78 | 1865834.57 | 336172.35 | 1650089.46 | |
| pemoline isomer | 31427.97 | 46972.71 | 111590.44 | 30128.03 | 33294.33 | 41691.84 | |
| PE(P-16:0/20:4) | 14264.61 | 19285.49 | 896005.59 | 1356783.03 | 473342.77 | 448815.89 | |
| PE(P-16:0/22:6) | 17691.85 | 12782.00 | 231419.99 | 415701.74 | 113780.83 | 131251.76 | |
| PE(P-18:0/20:4) | - | 8206.01 | 524298.93 | 826329.46 | 306693.62 | 181140.26 | |
| PE(P-18:1/20:4) | 13563.06 | 13719.67 | 569885.21 | 866783.89 | 272602.12 | 287176.66 | |
| PE(P-18:1/22:6) | - | - | 83695.65 | 112960.42 | 32617.64 | 67248.57 | |
| PE(P-19:1/18:0) | 26752.16 | 24950.71 | 207225.23 | 171372.47 | 70438.64 | 88448.98 | |
| PE(P-35:0) | 3655.82 | 7672.35 | 61300.69 | 33706.19 | 10540.01 | 14850.77 | |
| PG(16:0/18:0) | 7824.86 | 6399.42 | 270009.79 | 476627.22 | 126101.40 | 134393.20 | |
| PG (34:1) | 14198.93 | 2423.67 | 111039.76 | 208431.39 | 49592.94 | 76720.57 | |
| Phenylalanine isomer | 748174.28 | 873067.41 | 32799.68 | 45269.07 | 56965.64 | 65477.85 | |
| Phosphorylcholine | 34700.81 | 26674.04 | 8763.69 | 56591.97 | 191472.70 | 23511.29 | |
| pirbuterol isomer | 771583.45 | 730361.05 | 819134.42 | 182330.93 | 4982203.54 | 7100863.83 | |
| Pivaloylacetonitrile isomer | 176162.27 | 256173.69 | 14878.52 | 32545.38 | 43465.52 | 29835.18 | |
| Pro-Ile | 3404637.74 | 6021693.94 | 7362041.06 | 287612.44 | 9445486.36 | 15550989.41 | |
| Pro-Leu | 1803863.28 | 2964638.95 | 5168058.27 | 365346.71 | 6087716.37 | 12870360.85 | |
| proline betaine | 19434552.19 | 4909426.75 | 5447143.25 | 4024776.60 | 2317035.53 | 2478209.05 | |
| propenoyl carnitine isomer 1 | 543075.82 | 826056.74 | 3653.85 | 7517.54 | 12295.99 | 17256.81 | |
| Propionyl-L-carnitine isomer 2 | 1777869.02 | 2814894.71 | 197269.55 | 292284.23 | 154788.29 | 371919.53 | |
| Pro-Thr | 111734.27 | 140261.93 | 56640.42 | 70456.40 | 62539.04 | 101187.13 | |
| Pro-Val | 2003664.46 | 2860646.54 | 1778032.61 | 1389626.78 | 1931472.44 | 4341074.14 | |
| Pyroglutamine | 742795.27 | 524001.11 | 1195959.17 | 382793.31 | 530306.06 | 524786.04 | |
| Retinaldehyde isomer | 949152.26 | 1047674.84 | 193935.43 | 183320.15 | 216608.31 | 219446.83 | |
| Retinoic Acid | 880428.32 | 872523.01 | 1110021.59 | 728242.67 | 592615.73 | 674718.14 | |
| riboflavin | 250081.87 | 146791.97 | 95231.51 | 175426.20 | 163710.84 | 367670.04 | |
| Saccharopine | 427659.17 | 437099.57 | 61858.08 | 73466.49 | 69491.41 | 106735.51 | |
| Saringosterol isomer | 206303626.67 | 203292705.33 | 63662746.67 | 80356639.33 | 70871006.67 | 106278604.00 | |
| Ser-Leu isomer | 475524.78 | 467589.12 | 630356.98 | 679110.69 | 1046292.11 | 6209323.88 | |
| SM(d18:1/14:0) | - | - | 32367.77 | 16395.65 | 10338.11 | 17470.12 | |
| SM(d18:1/16:0) | 13302.92 | 9991.61 | 159694.52 | 99124.90 | 58746.57 | 77983.70 | |
| Sphinganine | 2949523.12 | 2407132.58 | 6659955.88 | 22415777.67 | 14482846.42 | 64876778.00 | |
| Sphingosine | 34004641.33 | 25525075.00 | 120514032.67 | 554563658.67 | 111879232.00 | 1414201909.33 | |
| sphingosine(d20:1) | 2049831.74 | 1454646.17 | 13493104.08 | 28445277.50 | 9867081.00 | 47238774.33 | |
| Stearamide | 4610772.92 | 4999098.21 | 1187251.16 | 8524166.33 | 19800011.33 | 1561079.24 | |
| stearoylcarnitine isomer | 139064.41 | 158388.50 | 521087.36 | 499877.58 | 439804.06 | 1561039.60 | |
| Taurocyamine | 229333.57 | 305971.36 | 315964.42 | 195336.27 | 228617.51 | 114486.26 | |
| tetradecadienoylcarnitine isomer 2 | 422168.14 | 276470.78 | 54971.91 | 216245.08 | 317792.70 | 93071.85 | |
| thymine | 593685.33 | 495358.78 | 409256.88 | 568304.14 | 595392.68 | 930343.28 | |
| Tiglylcarnitine | 317915.43 | 393560.49 | 30219.94 | 20590.85 | 26940.65 | 35254.98 | |
| trans-Dehydroandrosterone isomer | 660127.72 | 635291.65 | 519441.56 | 593719.80 | 490440.48 | 524273.05 | |
| Tridecanoyl carnitine | 197934.39 | 163509.89 | 52798.90 | 116448.56 | 142010.41 | 83414.46 | |
| Triethanolamine | 86715.80 | 184715.57 | 76031.31 | 38698.04 | 282151.40 | 92167.01 | |
| Trimethyllysine | 3032662.23 | 3791417.38 | 320423.05 | 672424.54 | 1590187.32 | 1051824.11 | |
| VaL-Tyr | 1117114.58 | 1723585.52 | 28847.78 | 24012.81 | 34083.75 | 66551.65 | |
| Val-Val isomer | 1091472.67 | 672080.17 | 2219094.69 | 1675233.07 | 1797954.66 | 1054062.92 | |
| Xanthurenic acid | 748817.01 | 303546.97 | 196013.12 | 102273.17 | 33203.94 | 238742.15 |
Factors:
| F1 | Sample source:Feces | Diet:Chow | Treatment:anti-PD-1 |
| F2 | Sample source:Feces | Diet:Chow | Treatment:isotype control |
| F3 | Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1 |
| F4 | Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1 |
| F5 | Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1 |
| F6 | Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1 |