Data for ST001175
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-g... | 536815.75 | 727061.25 | 684579.50 | 625851.50 | 697316.57 | 493908.67 | 578994.50 | 631641.67 | 624447.50 | 1109571.83 | 810829.75 | |
| 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one | 181318.25 | 245507.75 | 248850.75 | 113593.25 | 232761.14 | 100731.33 | 202382.75 | 121373.33 | 151263.50 | 469937.00 | 203041.75 | |
| 1,8-Diazacyclotetradecane-2,9-dione | 43400000.00 | 46775000.00 | 43750000.00 | 44000000.00 | 44485714.29 | 44333333.33 | 44200000.00 | 43666666.67 | 46225000.00 | 42034056.83 | 44775000.00 | |
| 1-Methyl-1,3-cyclohexadiene | 551107.75 | 510499.50 | 751562.50 | 624242.75 | 440231.29 | 612692.33 | 647171.00 | 681368.67 | 384995.00 | 291960.83 | 490564.75 | |
| 1-Methylhypoxanthine | 180662.50 | 219376.75 | 205053.75 | 152040.75 | 170416.14 | 150442.00 | 159433.50 | 169873.67 | 161975.75 | 271248.33 | 159671.25 | |
| (1R,4S)-fenchan-2-one | 4008391.00 | 3292300.75 | 4734944.75 | 4199518.25 | 3183788.00 | 3592724.00 | 4074676.25 | 4411125.00 | 2711014.00 | 1735448.33 | 3447793.25 | |
| 2,3-Dimethylmaleate | 1063439.50 | 1276364.75 | 1101765.00 | 901931.25 | 1120989.71 | 937647.00 | 1126264.75 | 1089327.33 | 779574.75 | 1195523.33 | 694868.50 | |
| (24R,24^R)-Fucosterol epoxide | 1615201.50 | 2030849.75 | 1753175.25 | 1728654.00 | 1796377.43 | 1421319.33 | 1677398.50 | 1774624.67 | 1538154.75 | 2376866.17 | 1727612.25 | |
| (2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phos... | 103624.75 | 107320.50 | 107904.25 | 96209.00 | 96139.57 | 70617.00 | 105637.00 | 99342.33 | 91021.50 | 507345.33 | 99463.25 | |
| 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate | 181887.00 | 230775.75 | 213290.75 | 185819.50 | 214240.14 | 153921.00 | 186101.50 | 193810.67 | 195178.75 | 235807.50 | 210121.00 | |
| 2-Amino-9,10-epoxy-8-oxodecanoic acid | 111071.00 | 149356.00 | 152749.00 | 122690.00 | 150228.00 | 105129.00 | 126513.75 | 128272.33 | 116080.25 | 144174.50 | 155850.00 | |
| 2-chlorohexadecanol | 1840845.50 | 2145599.25 | 1928946.75 | 2039480.00 | 2116987.57 | 2133764.67 | 2009882.75 | 1898669.00 | 1885874.00 | 2369855.67 | 2102819.75 | |
| 2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate | 107756.50 | 151277.75 | 142642.00 | 122506.75 | 144685.86 | 105521.00 | 121908.75 | 120364.00 | 115753.50 | 161011.17 | 129412.25 | |
| 2-Methylbutyroylcarnitine | 95528.00 | 127129.50 | 127113.00 | 113685.00 | 135103.43 | 82914.00 | 94435.25 | 110195.33 | 110466.25 | 115487.67 | 112644.50 | |
| 2-O-Methylcytosine | 94813.00 | 85516.75 | 92859.00 | 98317.00 | 89163.29 | 85511.00 | 80767.00 | 84560.00 | 87510.75 | 104353.50 | 99409.50 | |
| 3,3^-Thiobispropanoic acid | 2427564.75 | - | - | - | - | - | - | - | - | 308452.83 | - | |
| 3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene | 26175000.00 | 24714797.00 | 40800000.00 | 26800000.00 | 21414285.71 | 30133333.33 | 34099728.00 | 37100000.00 | 15546882.50 | 10112337.00 | 23200000.00 | |
| 3-Aminobenzenesulfonate | 50843.00 | 72249.75 | 65502.00 | 63061.50 | 80682.14 | 26903.67 | 46552.75 | 62749.33 | 37468.75 | 89456.00 | 61795.25 | |
| 3-Butynoate | 284648.75 | 321692.25 | 311954.00 | 227171.75 | 282162.00 | 265706.00 | 309338.00 | 319489.33 | 205355.00 | 344349.33 | 187516.50 | |
| (-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one | - | 398093.67 | 347645.33 | - | 400454.75 | - | 288522.00 | 138415.00 | - | 448959.83 | - | |
| 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine | 76784.75 | 84219.50 | 87218.00 | 81069.00 | 93839.14 | 64211.67 | 77430.50 | 87550.00 | 76093.00 | 88764.33 | 82849.50 | |
| 3-Indoleacetaldoxime | 473872.33 | 1131652.00 | 1143285.00 | 328242.75 | 966891.71 | 293221.00 | 469325.50 | 440307.00 | 165015.00 | 1582659.17 | 174659.00 | |
| 3-Methyleneoxindole | 421784.00 | 994921.33 | 550002.25 | 824650.00 | 666186.57 | 229518.00 | 483949.50 | 363185.50 | - | 954490.33 | 71021.50 | |
| 3-nitro-2-pentanol | 1253010.50 | 1557545.00 | 1420050.75 | 1782798.25 | 1570970.00 | 1567991.67 | 1313763.50 | 1811541.00 | 1331120.75 | 1827523.00 | 1452677.50 | |
| 3-Oxohexobarbital | 178934.67 | 325637.50 | 395967.00 | 137555.00 | 179877.71 | 121257.50 | 145047.50 | 134776.67 | - | 273212.50 | 59332.00 | |
| 4,8-Dimethyl-1,3E,7-nonatriene | 799943.75 | 718626.00 | 1005197.50 | 852967.25 | 692450.57 | 740163.33 | 785026.50 | 989576.67 | 575844.25 | 354921.17 | 757732.00 | |
| 4a-Hydroxytetrahydrobiopterin | 343927.25 | 382875.50 | 449600.50 | 398028.50 | 475330.71 | 374454.33 | 409436.50 | 416194.67 | 352987.25 | 581515.17 | 428980.75 | |
| 4-Aminobutanal | 1403068.25 | 1436641.25 | 1541050.50 | 1282969.75 | 1339375.86 | 1277543.00 | 1584608.50 | 1626698.67 | 1356967.25 | 1418882.50 | 1355483.50 | |
| 4-Aminobutanoate | 2154613.00 | 8216312.00 | 2754872.50 | 1433634.25 | 2804206.71 | 1255245.00 | 2365393.00 | 1441498.00 | 1947312.50 | 4207116.67 | 2911674.25 | |
| 4-Guanidinobutanoate | 162224.25 | 237457.25 | 214922.75 | 155871.50 | 195124.43 | 150351.00 | 180098.25 | 156810.33 | 158396.75 | 210924.33 | 180796.75 | |
| 4-Hexyl-2,5-dimethyloxazole | 245093.75 | 230993.50 | 219615.75 | 214906.00 | 185306.71 | 189196.00 | 206806.25 | 159030.33 | 286648.00 | 247746.83 | 243083.00 | |
| 4-(Trimethylammonio)but-2-enoate | 22150000.00 | 29750000.00 | 26675000.00 | 27400000.00 | 26642857.14 | 19900000.00 | 23700000.00 | 25500000.00 | 22375000.00 | 30900000.00 | 28500000.00 | |
| 4-Trimethylammoniobutanoate | 6593003.25 | 8899821.25 | 8559654.25 | 7995330.00 | 8070721.00 | 6019863.00 | 7046596.00 | 7199916.33 | 7060040.00 | 9477118.50 | 8184362.00 | |
| 5-[2H-Pyrrol-4-(3H)-ylidenemethyl]-2-furanmethanol | 186217.75 | 310787.00 | 259974.50 | 271508.50 | 244703.57 | 226160.33 | 213123.25 | 147888.33 | 166286.50 | 298185.67 | 281050.50 | |
| 5-6-Dihydrouridine | 136233.25 | 191187.75 | 173043.25 | 159448.25 | 179429.29 | 127151.00 | 153858.75 | 156170.33 | 130852.25 | 190920.67 | 159789.75 | |
| 5-Acetamidopentanoate | 3901695.50 | 5145351.50 | 4884105.50 | 4632196.00 | 4921205.00 | 3724118.33 | 4005449.75 | 4310963.00 | 4032721.75 | 5298712.50 | 4850643.00 | |
| 5-Aminolevulinate | 54850000.00 | 67350000.00 | 64900000.00 | 54425000.00 | 57271428.57 | 46533333.33 | 57025000.00 | 58433333.33 | 50175000.00 | 62083333.33 | 51550000.00 | |
| 5-Guanidino-2-oxopentanoate | 182210.00 | 287167.75 | 232535.00 | 218405.00 | 232159.29 | 152054.33 | 200598.00 | 182328.67 | 165087.00 | 230720.00 | 197062.25 | |
| 5-Hydroxyconiferaldehyde | 266871.75 | 268889.75 | 276586.25 | 233954.00 | 274124.00 | 223721.67 | 288116.00 | 253337.67 | 272558.50 | 298959.33 | 247837.25 | |
| 5-Hydroxytryptophan | 169287.75 | 316940.75 | 252903.75 | 178427.25 | 241420.43 | 137930.67 | 187178.75 | 164570.00 | 151479.50 | 539243.60 | 195261.75 | |
| 5^-methylthioformycin | 174524.25 | 189264.75 | 183822.50 | 196685.00 | 196751.71 | 173996.33 | 153246.25 | 217813.33 | 162340.50 | 248026.00 | 172899.75 | |
| 5-Nitro-2-(3-phenylpropylamino)benzoic acid | 168217.00 | 289016.25 | 196810.75 | 220434.50 | 258326.57 | 99373.00 | 177919.25 | 163295.00 | 172377.50 | 434117.00 | 221462.25 | |
| 6,7-Dimethyl-8-(1-D-ribityl)lumazine | 421005.75 | 578401.50 | 546321.25 | 499254.00 | 533209.57 | 388010.00 | 489986.50 | 464018.67 | 429036.25 | 629354.33 | 490290.75 | |
| 6-Acetyl-D-glucose | 373154.50 | 471852.00 | 457871.00 | 407114.25 | 467464.43 | 346061.67 | 397785.25 | 399003.67 | 389968.75 | 546582.00 | 442685.75 | |
| 8-Amino-7-oxononanoate | 1819139.25 | 2312940.50 | 2222328.50 | 2060101.75 | 2158831.57 | 1814926.00 | 1952046.25 | 1830345.00 | 1813281.75 | 2609628.33 | 2164369.00 | |
| a Cysteine adduct | 96174.75 | 54141.25 | 74940.75 | 52119.00 | 50530.43 | 56301.33 | 74533.25 | 72872.00 | 78076.75 | 130306.67 | 63659.25 | |
| Adenine | 438116.50 | 589820.50 | 536534.25 | 577111.50 | 583158.29 | 450597.00 | 464385.75 | 550040.33 | 416886.50 | 598663.17 | 499310.00 | |
| Adenosine | 136602.25 | 188388.75 | 155595.50 | 145229.25 | 168979.00 | 111851.00 | 140235.50 | 153751.67 | 145625.00 | 217665.33 | 155116.25 | |
| ADP | 387755.50 | 495633.00 | 417249.50 | 255894.00 | 375011.14 | 316903.67 | 358167.00 | 333574.00 | 233918.00 | 1075562.17 | 243781.25 | |
| Agaritinal | 240530.50 | 365900.50 | 341084.00 | 351688.75 | 288478.14 | 180658.00 | 276295.67 | 332462.00 | 226651.00 | 260512.00 | 300699.00 | |
| A-Ketoglutaricacidoxime | 51256.50 | 88495.75 | 67276.50 | 51703.33 | 69744.00 | 38068.00 | 46721.00 | 49790.00 | 41632.50 | 130588.67 | 49996.25 | |
| Ala-Ala-Ala-Ser | 76855.75 | 150707.75 | 119157.25 | 77082.25 | 105820.29 | 72577.00 | 76523.50 | 83666.67 | 68072.75 | 313644.17 | 73299.50 | |
| Ala-Ala-Asn | 169971.75 | - | 23616.00 | - | - | - | - | - | 188711.00 | 62319.17 | - | |
| Ala-Asn-Ser | 44062.75 | 75641.25 | 53116.25 | 45739.50 | 52400.00 | 50694.33 | 43721.75 | 43134.00 | 32918.50 | 388410.00 | 51100.00 | |
| Ala-Glu-Glu-His | 291452.50 | 629416.50 | 663727.00 | 52794.50 | 683323.29 | 133168.67 | 566114.25 | 164676.33 | 261739.75 | 392598.00 | 520858.25 | |
| Ala-Gly-Pro | 520159.25 | - | 66210.00 | 32092.00 | 25676.00 | - | - | - | 605333.25 | 165918.33 | 25942.00 | |
| Ala-Leu-Thr-Ala | 268248.25 | 329769.00 | 300968.25 | 279154.25 | 303696.29 | 259700.33 | 279781.25 | 253948.33 | 269684.75 | 452904.00 | 284818.75 | |
| Ala-Pro | 1769603.50 | 2224328.25 | 2042648.00 | 207525.75 | 1937271.57 | 242983.33 | 1400826.00 | 327686.67 | 2266055.00 | 1690199.33 | 1950101.50 | |
| Ala-Val-Gly-Pro | 133926.75 | 161584.25 | 165762.50 | - | 169717.57 | - | 116478.25 | - | 173399.00 | 166970.50 | 147730.25 | |
| alpha-Methylstyrene | 418026.00 | 468887.67 | 626360.00 | 389000.00 | 286290.86 | 471634.33 | 641606.67 | 529425.00 | 316304.75 | 145268.67 | 359993.50 | |
| AMP | 1605585.50 | 1750385.75 | 1900294.50 | 1429399.25 | 1787207.71 | 1170960.67 | 1616372.25 | 1532165.33 | 1627788.25 | 2359537.67 | 1684992.25 | |
| Asn-Arg | 108160.50 | - | - | - | - | - | - | - | 131154.00 | - | - | |
| Asn-Asp | - | - | - | - | - | - | - | - | - | 113476.33 | - | |
| Asn-Gly-Pro-Pro | - | 180206.50 | 148461.75 | - | 184243.57 | - | 123742.25 | - | - | 220409.33 | 179525.25 | |
| Asn-His | 194782.25 | - | 33109.00 | - | - | - | - | - | 246260.25 | 84150.67 | - | |
| Asn-Leu-Pro-Pro | 42787.00 | 201022.50 | 134295.00 | - | 175491.43 | - | 131901.75 | - | 52091.00 | 191803.17 | 186430.00 | |
| Asn-Pro | 497748.75 | 730126.75 | 672094.50 | 571140.75 | 657168.43 | 459676.00 | 553221.75 | 545833.67 | 1002406.50 | 863806.50 | 625915.50 | |
| Aspartyl-L-proline | 2597270.75 | 3552989.25 | 3219164.00 | 789825.75 | 3120046.71 | 648666.00 | 2628173.00 | 866392.33 | 2765419.00 | 4321369.67 | 3119181.75 | |
| Asp-Cys-Cys-Ser | 899719.00 | 1262659.50 | 1002146.00 | 528497.25 | 763219.57 | 795905.67 | 988790.00 | 849585.33 | 477125.25 | 2436650.67 | 479397.25 | |
| Asp-Gly-Arg | 87715.25 | 156997.75 | 127514.50 | 83862.75 | 132545.43 | 77999.33 | 93170.50 | 102204.67 | 61678.75 | 244737.50 | 75059.50 | |
| Asp-Ser | - | - | - | - | - | - | - | - | - | 95362.17 | - | |
| Asp-Thr-Cys-Cys | 61524.50 | 56289.00 | 59742.33 | 31160.50 | 43049.60 | 52830.00 | 42359.50 | 31084.00 | - | 129934.00 | 22536.00 | |
| Asp-Val-Pro-Ser | 506230.75 | 670718.75 | 643759.25 | 622058.75 | 624041.57 | 470103.33 | 564679.25 | 547482.00 | 592657.75 | 1240114.67 | 642175.00 | |
| ATP | 615175.00 | 910383.75 | 695172.25 | 351810.75 | 511385.00 | 549902.33 | 617041.50 | 464203.00 | 224105.50 | 1171471.50 | 266295.75 | |
| Biotin | 107494.75 | 178871.50 | 149279.25 | 122809.25 | 118839.86 | 105463.67 | 135507.25 | 139035.00 | 107130.75 | 347753.33 | 93207.00 | |
| Biotin amide | 438025.50 | 565762.75 | 541784.75 | 507228.75 | 511298.14 | 407194.33 | 430954.25 | 459901.67 | 491635.00 | 636455.00 | 542997.75 | |
| Cantleyine | 361652.50 | 685615.50 | 516035.75 | 603438.25 | 554213.00 | 337493.33 | 442806.50 | 418197.67 | 495081.75 | 589073.83 | 705972.00 | |
| CDP-choline | 118672.00 | 141250.75 | 146218.00 | 123011.00 | 145084.14 | 103098.67 | 142033.25 | 122649.00 | 135120.25 | 268014.33 | 134765.00 | |
| Cer(d40:2) | 704008.75 | 729873.00 | 742068.50 | 780748.50 | 789267.57 | 691894.67 | 792148.25 | 755990.00 | 873705.50 | 941110.67 | 969626.00 | |
| Choline | 2817848.50 | 3605063.00 | 3205999.75 | 2759747.50 | 3043573.14 | 2364774.00 | 2706541.50 | 2926613.67 | 2645908.50 | 3456554.50 | 2948058.00 | |
| Choline phosphate | 9957459.50 | 15925000.00 | 12900000.00 | 20375000.00 | 12857142.86 | 15033333.33 | 11604029.75 | 18600000.00 | 10074881.25 | 19166666.67 | 11935408.00 | |
| CMP-N-trimethyl-2-aminoethylphosphonate | 546191.25 | 859869.25 | 680499.00 | 612109.75 | 664736.57 | 476631.67 | 578593.25 | 554030.67 | 560493.50 | 926502.00 | 682575.75 | |
| Cohibin C | 997586.25 | 1209056.25 | 1226685.25 | 1036772.25 | 1296223.29 | 857738.00 | 1059877.00 | 1112399.33 | 1198773.50 | 1861248.83 | 1289559.00 | |
| Convicine | 50629.25 | 64425.75 | 59819.25 | 53699.00 | 59494.43 | 56088.00 | 57138.00 | 51595.00 | 42604.75 | 87693.50 | 42016.50 | |
| Creatine | 205250000.00 | 269000000.00 | 251000000.00 | 256500000.00 | 246428571.43 | 201000000.00 | 224250000.00 | 230666666.67 | 214000000.00 | 288166666.67 | 258000000.00 | |
| Creatinine | 204918.50 | 261377.50 | 256927.75 | 257416.00 | 257541.57 | 228344.67 | 208937.75 | 261441.67 | 185278.25 | 315718.67 | 240047.50 | |
| Cumene | 1432798.00 | 1432034.75 | 2239093.25 | 1476586.50 | 1246582.00 | 1722771.33 | 1918652.75 | 2023850.00 | 883899.50 | 591677.67 | 1302494.50 | |
| cyclic GMP-AMP | 168867.00 | 394341.25 | 289929.25 | 242858.50 | 285676.57 | 190031.67 | 267930.00 | 208152.67 | 217059.25 | 793954.80 | 262289.75 | |
| Cys-Gly | 384087.50 | 303014.00 | 384487.00 | 375347.00 | 411561.00 | 433570.00 | 393413.25 | 420619.67 | 461581.00 | 407595.00 | 387627.75 | |
| Cys-Gly-Pro | 870944.75 | 1524635.00 | 1339769.50 | 918107.00 | 1105206.00 | 962988.33 | 962214.00 | 1023539.67 | 716373.25 | 1494177.83 | 868527.00 | |
| Cys-Phe-Gly-Gly | 828033.00 | 1894385.00 | 1575150.75 | 717277.50 | 1290209.57 | 1061612.67 | 1058515.50 | 1277088.67 | 200891.25 | 2424355.33 | 436855.75 | |
| Cys-Trp-Ser-Tyr | 110011.50 | 95799.33 | 105536.67 | 52902.00 | 60173.29 | 70665.50 | 122999.00 | 63342.67 | - | 133423.50 | 35056.00 | |
| Damascenine | 223537.75 | 238469.00 | 158575.00 | 215333.50 | 166643.00 | 144259.67 | 207269.25 | 138996.00 | 309305.50 | 119129.83 | 340327.25 | |
| Deoxycytidine | 125245.00 | 203525.50 | 147297.00 | 103293.25 | 158897.00 | 128782.00 | 131584.50 | 112797.33 | 85438.00 | 203206.33 | 132017.25 | |
| D-erythro-D-galacto-octitol | 30940.00 | 47188.67 | 27642.33 | 41971.00 | 29968.50 | 43772.00 | - | 30097.50 | 34042.50 | 105251.33 | 26511.75 | |
| Dethiobiotin | 146644.00 | 199101.75 | 173245.00 | 30052.00 | 158553.43 | 45457.33 | 130255.00 | 47722.00 | 144781.75 | 131759.00 | 177388.75 | |
| DG(38:6) | 408310.75 | 819460.25 | 945367.25 | 495236.00 | 787821.71 | 793808.00 | 848614.25 | 1119568.00 | 525841.00 | 858908.80 | 476997.75 | |
| D-Glucosamine | 3741554.00 | 2610963.25 | 2417050.25 | 1944676.75 | 2075508.00 | 1861699.67 | 3118301.00 | 1910044.33 | 1784681.50 | 3374771.00 | 2517917.25 | |
| D-Glucose oxime | 101645.00 | 152492.75 | 116435.25 | 124844.00 | 114687.71 | 87451.00 | 114387.75 | 120493.00 | 108599.50 | 179823.17 | 113397.00 | |
| Dicyclohexyl disulfide | 331046.00 | 352391.00 | 385544.75 | 373990.75 | 363893.00 | 321010.00 | 364509.00 | 356295.33 | 340013.75 | 411862.50 | 330052.75 | |
| Dihydroferuloylglycine | 310581.75 | 570283.75 | 442875.00 | 470751.50 | 508307.57 | 265543.00 | 390861.00 | 330125.67 | 406999.50 | 673368.00 | 560065.50 | |
| D-myo-Inositol 1,2-cyclic phosphate | 63598.75 | 74120.25 | 67730.25 | 67519.75 | 68238.86 | 56762.67 | 69492.00 | 64341.67 | 52056.75 | 234723.00 | 65919.00 | |
| Ergothioneine | 10687620.75 | 5569287.25 | 7524925.25 | 7545992.75 | 6371891.00 | 9489824.00 | 10284591.00 | 10283505.67 | 13807288.25 | 6021427.17 | 11277179.25 | |
| FA (14:2) tetradecadienal | 11392384.75 | 10128421.75 | 13644418.75 | 12141695.50 | 9701454.57 | 11187337.33 | 11888693.00 | 14741071.00 | 7947388.50 | 5206460.00 | 10830050.75 | |
| FA (16:2) | 6709541.50 | 5705375.25 | 7675263.50 | 6776991.50 | 5251610.43 | 6279231.67 | 6686787.75 | 7678094.67 | 4439447.50 | 3385383.00 | 5898205.50 | |
| [FA (18:1)] 9Z-octadecenamide | 836748.00 | 611617.00 | 731136.75 | 629397.50 | 545566.14 | 448469.67 | 607335.25 | 739010.67 | 603357.75 | 851322.50 | 563919.50 | |
| [FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lactone | 67740.50 | 128927.50 | 102180.75 | 94276.75 | 111522.43 | 50272.00 | 83477.75 | 71296.67 | 78529.00 | 175670.00 | 102731.00 | |
| [FA oxo(8:1)] 5-oxo-7-octenoic acid | 57184.75 | 73741.50 | 56750.50 | 40517.50 | 68306.14 | 56228.33 | 58712.50 | 65497.33 | 46447.00 | 98380.00 | 55658.50 | |
| [FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid | 372506.75 | 476622.25 | 416530.00 | 416669.50 | 458568.57 | 318267.33 | 399789.50 | 417069.33 | 385774.00 | 510122.00 | 428711.50 | |
| gamma-Amino-gamma-cyanobutanoate | 248409.75 | 267807.50 | 339716.75 | 309612.00 | 340151.00 | 255798.67 | 269798.00 | 313206.67 | 269292.25 | 316990.50 | 244196.00 | |
| gamma-Glutamyl-beta-cyanoalanine | 108802.00 | 149115.25 | 134308.00 | 122380.75 | 127325.14 | 114512.33 | 122316.50 | 131353.67 | 121155.75 | 179609.17 | 134450.25 | |
| gamma-Glutamyl-Se-methylselenocysteine | 21202.00 | 22722.50 | - | 24788.00 | - | - | - | - | - | 603013.83 | 19971.00 | |
| gamma-L-Glutamyl-L-cysteine | 110780.00 | 136401.75 | 122005.50 | 143007.00 | 137638.14 | 126658.67 | 120285.50 | 114710.00 | 102642.50 | 192642.83 | 141785.25 | |
| GDP-mannose | 85092.00 | 108886.50 | 111543.50 | 63736.00 | 88374.86 | 92567.33 | 82586.50 | 89920.67 | 63269.50 | 115248.67 | 64363.25 | |
| Ginkgotoxin | 284138.25 | 448148.00 | 452877.00 | 414472.50 | 461018.57 | 265507.67 | 317194.00 | 279534.33 | 285122.00 | 467743.33 | 376199.75 | |
| Glu-Ala-Gly-CHO | 81162.00 | 248345.75 | 189532.25 | 97040.75 | 199374.71 | 95745.00 | 131171.67 | 132516.00 | 64329.50 | 442125.83 | 49263.75 | |
| Glu-Ala-Ser | 94604.00 | 158137.25 | 127661.00 | 116605.50 | 135372.57 | 97030.00 | 101463.50 | 113379.33 | 110486.25 | 234460.00 | 133980.25 | |
| Glu-Cys-Cys | 114207.00 | 123820.00 | 120062.00 | 98314.00 | 100705.86 | 73372.67 | 115865.75 | 104774.33 | 92321.50 | 174458.83 | 85637.25 | |
| Glu-Glu | - | 21782.00 | - | - | - | - | - | - | - | 87733.00 | - | |
| Glu-Glu-Pro | 88118.25 | 114036.25 | 102237.00 | - | 103795.00 | - | 75394.25 | - | 97372.25 | 161925.33 | 92668.50 | |
| Glu-Leu | - | 155499.00 | - | - | - | - | - | - | 88212.33 | 580678.50 | - | |
| Glu-Met-Ser | 112557.00 | 122449.25 | 128083.75 | 140307.75 | 141389.14 | 132350.00 | 139585.75 | 138759.67 | 137379.00 | 152986.67 | 141538.50 | |
| Glu-Pro | 821956.50 | 1156831.25 | 1114476.00 | 219806.00 | 1048037.00 | 220959.33 | 776628.75 | 265513.33 | 1007653.75 | 1257475.50 | 1062076.75 | |
| Glutathione | 926331.75 | 883347.50 | 911988.25 | 987773.25 | 958599.00 | 982412.33 | 980088.25 | 1021173.33 | 1066431.00 | 1023992.00 | 1056904.25 | |
| Glutathione disulfide | 2789710.00 | 5781223.50 | 4896185.50 | 2394987.25 | 4080772.43 | 2651127.67 | 2829602.50 | 2955787.33 | 1062119.50 | 9263948.50 | 1764315.00 | |
| Glu-Thr | 289074.25 | 556468.75 | 390859.00 | 275685.00 | 406458.43 | 281876.67 | 327896.25 | 299929.67 | 294880.50 | 708196.83 | 366333.75 | |
| Guanine | 819290.25 | 939655.25 | 777229.50 | 624956.25 | 714256.86 | 679679.33 | 623069.75 | 752156.33 | 931562.75 | 1157557.00 | 598400.75 | |
| Heme | 268944.33 | 289218.00 | 257107.33 | 325088.50 | 287100.00 | 167722.00 | 319989.00 | 267988.00 | 304381.25 | 89507.67 | 328413.75 | |
| Heptadecanoylcarnitine | 466765.00 | 581120.00 | 569401.25 | 548214.50 | 564030.29 | 430582.00 | 498420.50 | 551698.33 | 479029.75 | 631975.00 | 547961.25 | |
| Hercynine | 5127620.00 | 7832776.25 | 5531756.00 | 7362178.00 | 7818899.29 | 5043862.00 | 5796702.50 | 5711559.00 | 6990988.50 | 9307882.83 | 8844147.25 | |
| Hexadeceylamin | 183102.50 | 240068.75 | 258652.00 | 217332.50 | 248831.00 | 168400.00 | 199076.00 | 245127.00 | 169226.25 | 263859.80 | 224487.00 | |
| Hypaphorine | 767051.00 | 981027.25 | 920965.25 | 917984.75 | 915411.29 | 710445.00 | 801393.00 | 859030.00 | 757112.75 | 1017953.33 | 917123.75 | |
| Hypoxanthine | 160000000.00 | 205000000.00 | 191750000.00 | 153000000.00 | 171142857.14 | 144666666.67 | 166000000.00 | 158666666.67 | 138125000.00 | 256666666.67 | 153500000.00 | |
| Ile-Ala | 1143256.00 | 1416732.25 | 1311378.50 | 1293420.00 | 1298678.57 | 1003603.67 | 1143402.25 | 1133592.33 | 1130906.75 | 1475796.67 | 1244604.25 | |
| Ile-Cys-Phe | 124335.75 | 153457.50 | 179444.25 | 163123.50 | 180585.14 | 148223.67 | 133875.75 | 164388.33 | 69924.50 | 226008.83 | 119938.25 | |
| Ile-Gly | 344807.50 | 287160.50 | 249299.25 | 245126.25 | 266187.43 | 214550.33 | 224144.00 | 243993.67 | 412538.75 | 211183.00 | 269672.50 | |
| Ile-Ile-Pro | 125850.25 | 193021.25 | 137566.00 | 107299.25 | 138715.43 | 94994.67 | 142393.25 | 129902.00 | 122952.75 | 171021.33 | 116505.25 | |
| Ile-Lys-Pro | 1294164.00 | 1762271.75 | 1557414.50 | 1548545.50 | 1552308.14 | 1188231.67 | 1313234.00 | 1454112.67 | 1375675.50 | 1728633.83 | 1594593.00 | |
| Ile-Ser | 91027.25 | 37331.50 | 33005.00 | - | 29178.50 | - | 29198.50 | - | 91017.75 | 92772.00 | 31917.00 | |
| indole-3-acetonitrile oxide | 72077.00 | 135025.75 | 139224.75 | 70115.25 | 109182.71 | 56134.67 | 68951.50 | 79958.33 | - | 179528.00 | 16739.50 | |
| L-Ala-L-Glu | 93772.00 | 128932.50 | 113588.50 | 123761.25 | 117191.00 | 99539.00 | 121589.50 | 117514.67 | 110693.00 | 250490.00 | 138544.75 | |
| L-Alanine | 2453139.25 | 3303976.75 | 2824669.00 | 3119634.75 | 2802609.14 | 2367571.33 | 2716263.50 | 2566299.33 | 2425155.50 | 3618559.17 | 2935378.00 | |
| L-Arginine | 31525000.00 | 34250000.00 | 35225000.00 | 27125000.00 | 30814285.71 | 26166666.67 | 32675000.00 | 30666666.67 | 26150000.00 | 35150000.00 | 25725000.00 | |
| L-Asparagine | 5312237.50 | 6578816.50 | 5257417.25 | 4597638.75 | 5316604.00 | 4279693.33 | 4918748.50 | 4920257.33 | 4842006.00 | 16566666.67 | 4870309.25 | |
| Lauroyl diethanolamide | 28990207.25 | 22282693.75 | 29984281.75 | 31679266.25 | 21441823.29 | 19011141.67 | 24720316.50 | 32230592.33 | 19640575.50 | 15050000.00 | 23900000.00 | |
| L-Carnitine | 7181543.00 | 9441950.00 | 9123863.50 | 8653869.50 | 8939971.00 | 6569225.67 | 7679474.25 | 7899108.00 | 7692855.75 | 10465433.67 | 9028459.00 | |
| L-Citrulline | 2248137.50 | 2927141.00 | 2612648.50 | 2603638.25 | 2708508.57 | 2205401.00 | 2272338.00 | 2421200.67 | 2241284.00 | 4913666.67 | 2726275.50 | |
| L-Cystine | 84512.00 | 105993.00 | 73781.00 | 73279.25 | 64666.57 | 85608.67 | 103363.25 | 82187.00 | 82381.75 | 713220.00 | 75543.00 | |
| Leu-Asp | 123173.75 | 178997.50 | 137291.00 | 139667.00 | 164138.29 | 119687.67 | 143011.25 | 115486.67 | 120380.75 | 208049.00 | 140800.25 | |
| Leu-Pro | 2188031.50 | 2822913.00 | 2614893.25 | 2624869.00 | 2637547.14 | 1986892.33 | 2248797.00 | 2433419.00 | 2302112.50 | 3009606.00 | 2664234.25 | |
| Leu-Val | 88998.00 | 103935.25 | 103857.75 | 49245.50 | 78799.86 | 37383.00 | 68461.50 | 51405.33 | 89778.25 | 182056.20 | 81969.75 | |
| L-Glutamate | 23750000.00 | 37625000.00 | 27350000.00 | 24875000.00 | 28900000.00 | 21566666.67 | 23925000.00 | 23966666.67 | 24250000.00 | 43283333.33 | 27625000.00 | |
| L-Glutamine | 335750000.00 | 376250000.00 | 360750000.00 | 299000000.00 | 324000000.00 | 282666666.67 | 339250000.00 | 337000000.00 | 289000000.00 | 410000000.00 | 303000000.00 | |
| Linoleamide | 258876.50 | 164751.25 | 256111.25 | 272347.75 | 161413.71 | 266155.33 | 197235.50 | 257714.67 | 215843.50 | 320258.00 | 232075.75 | |
| L-Leucine | 24975000.00 | 34725000.00 | 28600000.00 | 21350000.00 | 27042857.14 | 19466666.67 | 27750000.00 | 22233333.33 | 24175000.00 | 44016666.67 | 23775000.00 | |
| L-Lysine | 5212333.75 | 5897601.00 | 5294282.00 | 3292213.75 | 4609100.14 | 3245253.67 | 4681055.50 | 4197665.00 | 4841315.75 | 5339677.83 | 4044905.25 | |
| L-Methionine | 18100000.00 | 20750000.00 | 18975000.00 | 14150000.00 | 16542857.14 | 13700000.00 | 16925000.00 | 16000000.00 | 17475000.00 | 26683333.33 | 13975000.00 | |
| L-Methionine S-oxide | 630061.00 | 1016639.25 | 844508.25 | 547281.75 | 736438.86 | 455460.67 | 693056.75 | 663471.33 | 481594.00 | 1084479.67 | 570420.50 | |
| L-Ornithine | 5648171.00 | 6464427.25 | 6434809.50 | 6235697.00 | 6296200.71 | 5808927.00 | 5541774.00 | 5583321.33 | 5256846.75 | 6580321.83 | 6116309.75 | |
| Lotaustralin | 1568429.00 | 2073134.50 | 1910805.50 | 1881041.25 | 1961212.14 | 1517168.33 | 1662233.00 | 1688546.00 | 1643081.75 | 2246313.83 | 2004794.25 | |
| L-Phenylalanine | 13325113.00 | 18300000.00 | 15900000.00 | 10302673.00 | 14142857.14 | 9872605.67 | 13800000.00 | 10737411.33 | 12990828.00 | 34066666.67 | 13150000.00 | |
| L-Pipecolate | 9965638.50 | 14400000.00 | 13325000.00 | 6251815.00 | 12185714.29 | 5328994.00 | 11024979.25 | 6179838.67 | 9588533.75 | 13500000.00 | 11650000.00 | |
| L-Proline | 84450000.00 | 115700000.00 | 102375000.00 | 77700000.00 | 91071428.57 | 75200000.00 | 91250000.00 | 84466666.67 | 75900000.00 | 106766666.67 | 84725000.00 | |
| L-Serine | 1434364.50 | 1780013.50 | 1531952.25 | 1257171.25 | 1439323.57 | 1245158.33 | 1328238.50 | 1340623.00 | 1204267.75 | 5452738.17 | 1349725.75 | |
| L-Threonine | 10031424.25 | 12097550.25 | 11391426.50 | 8530916.25 | 10058022.86 | 8399081.67 | 10384201.75 | 9423595.67 | 8634844.50 | 11543240.17 | 8731597.50 | |
| L-Tryptophan | 2849175.50 | 3714228.00 | 3250477.50 | 2457726.25 | 3011827.71 | 2232142.33 | 3001474.75 | 2603469.33 | 2822756.75 | 4973411.83 | 3120763.00 | |
| L-Tyrosine | 11135539.00 | 14375000.00 | 12275000.00 | 9583926.25 | 11471428.57 | 8933202.00 | 11322026.75 | 10212183.67 | 10460513.25 | 16012158.50 | 10840613.75 | |
| L-Valine | 41950000.00 | 57400000.00 | 50400000.00 | 51300000.00 | 52442857.14 | 39400000.00 | 46475000.00 | 45833333.33 | 41150000.00 | 55616666.67 | 51375000.00 | |
| Lys-His | 333515.75 | 299711.50 | 338237.75 | 21166.33 | 304959.43 | 30429.67 | 205999.75 | 48082.33 | 323871.00 | 276861.83 | 282603.75 | |
| LysoPC(16:0) | 1295925.75 | 1698235.50 | 1396686.50 | 1098398.75 | 1381922.86 | 881533.33 | 1379131.25 | 1256763.33 | 1196941.50 | 2643814.00 | 1229578.75 | |
| [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine | 336860.25 | 483969.25 | 446542.25 | 386982.50 | 414159.86 | 330590.00 | 392832.00 | 344924.00 | 347204.50 | 795696.40 | 417122.75 | |
| LysoPC(18:0) | 808133.25 | 1103479.00 | 804641.00 | 727282.25 | 802098.14 | 547033.00 | 981714.50 | 726626.00 | 844797.50 | 1535791.00 | 876364.75 | |
| LysoPC(18:1) | 848238.25 | 1157070.50 | 1079686.50 | 691949.50 | 964231.71 | 631513.67 | 788594.00 | 875143.67 | 725011.50 | 1963889.80 | 716851.50 | |
| LysoPC(O-16:1) | 736178.00 | 1037768.75 | 913505.25 | 732732.00 | 866953.29 | 664439.67 | 773105.00 | 748192.33 | 690599.25 | 1378137.60 | 778699.00 | |
| LysoPC(O-18:0) | 226721.75 | 302687.75 | 327874.75 | 259064.75 | 294831.14 | 239686.67 | 246166.00 | 243723.00 | 245849.00 | 458812.60 | 261318.00 | |
| LysoPE(18:1) | 637778.00 | 876260.50 | 741231.75 | 658794.00 | 737240.43 | 602634.00 | 669749.00 | 687424.00 | 630823.25 | 1283046.80 | 670586.75 | |
| LysoPE(20:4) | 368618.25 | 563302.00 | 557264.75 | 341662.00 | 492086.00 | 313041.33 | 317379.25 | 387459.00 | 260167.00 | 1028616.80 | 319726.50 | |
| LysoPE(O-18:0) | 103177.00 | 169187.50 | 141617.50 | 130210.75 | 132792.29 | 90430.00 | 113689.50 | 123546.33 | 115903.25 | 230389.80 | 142197.50 | |
| LysoPE(P-20:0) | 176530.00 | 236774.75 | 217335.50 | 206034.00 | 200282.71 | 188257.67 | 202002.75 | 205094.67 | 192735.00 | 348123.00 | 211668.00 | |
| Lys-Pro | 356570.25 | 410482.25 | 367510.75 | 54449.75 | 342685.57 | 48111.50 | 287820.00 | 57641.67 | 454408.25 | 428466.83 | 344724.75 | |
| Lys-Thr-Ser | - | - | - | - | 77376.00 | - | - | - | - | 170004.00 | - | |
| Lys-Val | 694235.50 | 923262.25 | 879698.75 | 859013.25 | 898412.71 | 676492.00 | 735252.00 | 832655.00 | 744183.00 | 967067.17 | 863853.25 | |
| Mesaconate | 52259.25 | 68271.00 | 38730.50 | 36982.00 | 44800.57 | 55452.67 | 34144.00 | 34918.67 | 41972.67 | 143133.50 | 62157.00 | |
| Met-Ala-Gly | 518249.50 | 831229.00 | 668082.00 | 746080.25 | 733409.00 | 468873.33 | 533701.25 | 563215.67 | 663159.50 | 853629.33 | 806253.50 | |
| Methacholine | 4490095.00 | 5704024.25 | 5544211.00 | 5104931.00 | 5351593.29 | 3785357.67 | 4863158.50 | 4902546.67 | 4672927.25 | 6209271.00 | 5313560.75 | |
| methiin | 1671391.50 | 1898082.00 | 1797761.00 | 1659914.75 | 1664995.71 | 1587530.33 | 1697674.00 | 1865261.00 | 1588578.75 | 1900456.17 | 1532676.50 | |
| Methocarbamol | 671785.25 | 706814.50 | 590103.25 | 827147.25 | 615289.29 | 474594.33 | 657345.25 | 590789.67 | 979999.75 | 416672.67 | 1215483.00 | |
| Met-Phe-Asp | - | - | - | - | - | - | - | - | 670835.50 | - | - | |
| Met-Pro | 177641.25 | - | - | - | - | - | - | - | 192038.00 | 69717.60 | - | |
| Montecristin | 247151.50 | 340485.00 | 323751.25 | 308045.50 | 328118.29 | 254537.00 | 325438.50 | 279952.00 | 296198.00 | 557102.67 | 361692.25 | |
| Muramic acid | 1261452.50 | 1683237.50 | 1566695.25 | 1341794.25 | 1535059.71 | 1190574.33 | 1317850.25 | 1425445.33 | 1201136.75 | 1790162.67 | 1347647.50 | |
| N-(1-Deoxy-1-fructosyl)isoleucine | 163189.00 | 224326.00 | 194022.75 | 130494.25 | 165347.71 | 138628.00 | 182912.75 | 154860.67 | 147134.50 | 287490.83 | 118984.25 | |
| N-(1-Deoxy-1-fructosyl)proline | 301268.25 | 476806.33 | 353934.00 | 243861.75 | 284734.00 | 246532.00 | 343435.75 | 297060.67 | 223499.00 | 358046.83 | 209036.00 | |
| N2-Acetyl-L-aminoadipate | 586297.75 | 858801.50 | 743075.50 | 690345.25 | 721012.00 | 561863.00 | 648488.00 | 669520.67 | 634354.75 | 1050340.67 | 718431.50 | |
| N2-Fructopyranosylarginine | 234059.00 | 290907.25 | 264028.25 | 151698.25 | 192439.43 | 188886.67 | 235434.25 | 199137.00 | 138058.25 | 320174.33 | 118890.75 | |
| N-(3-acetamidopropyl)-4-aminobutanal | 538455.00 | 593870.00 | 698461.50 | 554261.75 | 695839.00 | 528482.67 | 663692.00 | 600634.33 | 652916.75 | 723260.67 | 660499.00 | |
| N-(3-oxohexanoyl)-L-homoserine | 121535.75 | 241629.25 | 201519.00 | 159961.50 | 231194.29 | 110724.33 | 131029.25 | 153321.33 | 110236.50 | 291846.40 | 148882.75 | |
| N6-Acetyl-N6-hydroxy-L-lysine | 494718.25 | 680343.75 | 628952.50 | 588527.50 | 603508.29 | 462310.67 | 515388.00 | 577322.67 | 505886.75 | 664820.17 | 590680.00 | |
| N6-Galacturonyl-L-lysine | 81828.25 | 122183.25 | 102068.50 | 97435.00 | 104135.14 | 110485.00 | 88281.50 | 93175.33 | 75271.25 | 183987.33 | 109587.50 | |
| N6,N6,N6-Trimethyl-L-lysine | 1651691.00 | 1915904.50 | 1896788.50 | 1972144.50 | 2016270.43 | 1498114.67 | 1680922.25 | 1712010.00 | 1759605.00 | 2230268.50 | 1909634.00 | |
| N-Acetylanthranilate | 237339.50 | 327264.00 | 287662.25 | 242716.00 | 281616.71 | 232539.00 | 241244.50 | 267318.33 | 234789.50 | 443249.33 | 261441.25 | |
| N-acetyl-demethylphophinothricin | 154072.75 | 159851.50 | 161450.50 | 139595.75 | 137223.29 | 133350.00 | 140583.00 | 142995.67 | 141589.75 | 245449.83 | 150942.00 | |
| N-acetyl -D- glucosaminitol | 139277.25 | 200166.00 | 174572.75 | 171639.00 | 170713.43 | 130300.67 | 140846.00 | 163575.33 | 143077.25 | 278220.67 | 194870.75 | |
| N-Acetyl-D-mannosamine | 255677.75 | 322323.50 | 279876.00 | 283959.50 | 272532.00 | 248136.00 | 269859.50 | 269010.33 | 245253.00 | 444658.00 | 303950.75 | |
| N-Acetyllactosamine | 262617.50 | 370811.75 | 340813.75 | 314460.75 | 350860.43 | 266970.33 | 300788.00 | 291449.67 | 281837.25 | 440987.33 | 347280.25 | |
| N-Acetyl-L-citrulline | 133046.25 | 170305.75 | 172123.00 | 146894.25 | 192364.14 | 141289.00 | 104964.00 | 191708.00 | 89458.50 | 255115.33 | 98928.75 | |
| N-Acetyl-L-glutamate 5-semialdehyde | 39479.75 | 70915.50 | 76928.25 | 68934.00 | 77130.29 | 37459.50 | 68125.25 | 68018.33 | 50275.75 | 127464.33 | 50551.00 | |
| N-Acetyl-L-leucine | 1044291.25 | 1349229.75 | 1232059.75 | 1157443.50 | 1231538.57 | 985433.00 | 1084800.50 | 1142981.00 | 1144523.50 | 1436357.17 | 1226360.50 | |
| N-Acetylmethionine | 129448.75 | 49757.75 | 54513.25 | 32465.25 | 45482.86 | 34354.33 | 31025.00 | 34374.33 | 144770.50 | 96283.00 | 39174.50 | |
| N-Acetylputrescine | 1617495.25 | 2061197.00 | 1929623.00 | 1711605.50 | 1875937.57 | 1265213.00 | 1691812.50 | 1731358.67 | 1418973.50 | 2183253.00 | 1764114.75 | |
| NAD+ | 4886547.50 | 7312123.00 | 6336646.75 | 5794042.50 | 6539888.00 | 4883001.67 | 5468542.00 | 5397538.67 | 5415239.50 | 9529820.83 | 5851859.75 | |
| NADP+ | 155202.75 | 211484.50 | 176455.00 | 133873.50 | 170168.14 | 155662.67 | 158269.50 | 153046.00 | 102180.25 | 346840.50 | 114984.75 | |
| N-Butyryl-L-homoserine lactone | 89579.25 | 125190.50 | 105412.25 | 107854.50 | 109026.71 | 97337.33 | 93198.50 | 100379.67 | 94973.00 | 168531.60 | 100545.25 | |
| N-dimethylethanolamine | 126770.25 | 139650.50 | 134613.25 | 145176.00 | 91907.29 | 108619.33 | 107953.75 | 140246.67 | 102686.25 | 80567.00 | 113133.00 | |
| Nebrosteroid M | 530468.00 | 724512.25 | 713282.00 | 584767.75 | 613060.71 | 596016.00 | 586480.50 | 627770.00 | 587222.50 | 788746.00 | 682723.25 | |
| NG,NG-Dimethyl-L-arginine | 341725.00 | 65306.00 | 77552.50 | 56908.50 | 64340.29 | 43650.00 | 57854.00 | 52272.67 | 441089.75 | 152148.00 | 65050.50 | |
| N-hydroxyisoleucine | 117447.75 | 120726.00 | 117100.75 | 110237.25 | 116595.57 | 97663.00 | 116816.25 | 107526.67 | 112922.50 | 126048.00 | 116880.25 | |
| Nicotinamide D-ribonucleotide | 116994.00 | 197144.50 | 177953.50 | 118321.00 | 163065.71 | 80290.67 | 125080.00 | 90185.33 | 154004.25 | 301692.17 | 120985.00 | |
| Nicotinate | 167666.00 | 211448.75 | 215140.50 | 200808.50 | 195431.29 | 204885.00 | 167941.75 | 215685.00 | 163706.25 | 206878.67 | 172188.50 | |
| N-Methyl-2-pyrrolidinone | 99734.00 | 119693.00 | 135379.00 | 112072.50 | 131269.86 | 104868.33 | 161265.75 | 136329.67 | 118076.75 | 129128.67 | 118326.00 | |
| N-Methylnicotinate | 72288.75 | 72005.00 | 81792.50 | 58003.00 | 66585.43 | 56731.33 | 71877.50 | 74163.67 | 53124.25 | 93974.33 | 55978.00 | |
| N-Methylpelletierine | 194059.50 | 333911.75 | 210998.75 | 172623.50 | 393555.43 | 307057.33 | 185029.25 | 205992.67 | 161493.50 | 263951.33 | 156377.75 | |
| O-9Z,12Z-Hexadecadienoyl-R-carnitine | 466165.25 | 628381.00 | 612582.75 | 579982.50 | 574315.14 | 482154.00 | 538826.50 | 552465.00 | 563431.75 | 694688.00 | 570191.50 | |
| O-Acetylcarnitine | 13218678.00 | 16825000.00 | 15925000.00 | 14600000.00 | 15371428.57 | 11433333.33 | 13650000.00 | 15000000.00 | 14200000.00 | 18916666.67 | 15900000.00 | |
| O-Acetyl-L-homoserine | 261789.50 | 368066.25 | 339693.50 | 334048.25 | 410853.00 | 211423.00 | 234787.67 | 245305.00 | 307612.25 | 462045.67 | 281447.25 | |
| O-Butanoylcarnitine | 134164.50 | 154382.00 | 158434.75 | 149094.00 | 153983.57 | 122085.33 | 130800.75 | 146702.33 | 134800.25 | 150116.50 | 147105.00 | |
| Oleoylcarnitine | 3088623.50 | 4152405.50 | 3830758.00 | 3805577.75 | 3904256.29 | 2806495.67 | 3410174.25 | 3548962.00 | 3269054.75 | 4483834.80 | 3962519.25 | |
| O-Palmitoyl-R-carnitine | 2317413.75 | 2879449.75 | 2771538.50 | 2794966.75 | 2741654.86 | 2128246.00 | 2297725.75 | 2557306.33 | 2271909.50 | 3378732.20 | 2664145.50 | |
| O-Propanoylcarnitine | 961353.75 | 1272212.50 | 1135702.00 | 1119321.50 | 1141645.00 | 861130.33 | 988226.00 | 1157793.33 | 937328.50 | 1249176.17 | 1195878.00 | |
| Otonecine | 144534.25 | 204421.50 | 194851.75 | 171279.50 | 170008.14 | 148347.00 | 153704.00 | 164050.67 | 157046.25 | 195339.00 | 181011.00 | |
| Pantothenate | 1048095.75 | 1475771.75 | 1187358.75 | 1028330.75 | 1152973.00 | 986476.00 | 1156853.00 | 1016138.33 | 1027585.00 | 2326046.50 | 1114200.25 | |
| PC(14:1) | 157929.75 | 256863.50 | 210020.25 | 172197.75 | 207751.29 | 186740.67 | 197725.25 | 163985.67 | 176557.25 | 355047.80 | 176575.75 | |
| PC(18:2) | 422392.00 | 568519.50 | 539930.75 | 369263.75 | 500809.14 | 346950.00 | 389589.00 | 420206.67 | 367154.25 | 997057.80 | 359841.25 | |
| PC(30:0) | 2029251.75 | 2514559.25 | 2380998.25 | 2128160.25 | 2209076.43 | 1880353.67 | 2088974.25 | 2046031.33 | 1968098.00 | 2916969.83 | 2205355.75 | |
| PC(32:0) | 16775000.00 | 19075000.00 | 19975000.00 | 17975000.00 | 18300000.00 | 15733333.33 | 17625000.00 | 17000000.00 | 17875000.00 | 19033333.33 | 19100000.00 | |
| PC(32:1) | 5793332.50 | 7525736.50 | 7089173.00 | 6187073.50 | 6847590.71 | 5823491.00 | 6165824.75 | 5782169.67 | 6510653.00 | 8087763.33 | 6804122.75 | |
| PC(34:1) | 94550000.00 | 115750000.00 | 112500000.00 | 99950000.00 | 105942857.14 | 91066666.67 | 96975000.00 | 95833333.33 | 96925000.00 | 113333333.33 | 104450000.00 | |
| PC(34:2) | 47550000.00 | 59375000.00 | 56550000.00 | 52425000.00 | 54185714.29 | 48366666.67 | 51050000.00 | 48600000.00 | 50250000.00 | 62750000.00 | 54575000.00 | |
| PC(36:1) | 27675000.00 | 31850000.00 | 32825000.00 | 29750000.00 | 29971428.57 | 25533333.33 | 27600000.00 | 28066666.67 | 27800000.00 | 30933333.33 | 30725000.00 | |
| PC(36:2) | 30425000.00 | 36900000.00 | 36150000.00 | 33875000.00 | 34814285.71 | 30200000.00 | 33250000.00 | 31733333.33 | 31725000.00 | 39333333.33 | 34550000.00 | |
| PC(38:4) | 12900000.00 | 14350000.00 | 14375000.00 | 14000000.00 | 14085714.29 | 12166666.67 | 13225000.00 | 12733333.33 | 12900000.00 | 14166666.67 | 13875000.00 | |
| PC(38:5) | 11095407.25 | 12600000.00 | 12150000.00 | 11800000.00 | 12114285.71 | 10462748.67 | 11364534.50 | 10848361.33 | 11168200.25 | 12116666.67 | 11625000.00 | |
| PC(38:6) | 6305996.75 | 7118953.75 | 7036729.00 | 6823165.00 | 7172431.71 | 6035814.00 | 6477582.75 | 6916690.67 | 6479453.25 | 6895124.00 | 6729709.00 | |
| PC(40:6) | 3053591.75 | 3459335.50 | 3594156.25 | 3309865.25 | 3424266.86 | 2908600.33 | 3012443.50 | 3348277.33 | 3312862.50 | 3597016.83 | 3389539.25 | |
| PC(40:7) | 1400810.75 | 1243760.75 | 1313767.75 | 1397042.50 | 1285335.43 | 1162484.67 | 1227319.25 | 1328514.00 | 1220429.75 | 905147.33 | 1210835.50 | |
| PE(32:0) | 655916.00 | 888240.00 | 827686.00 | 799663.50 | 952834.00 | 630612.00 | 783070.75 | 742743.67 | 819524.25 | 1423489.33 | 950826.00 | |
| PE(32:1) | 492813.25 | 645752.00 | 603028.00 | 594304.50 | 685437.29 | 473753.67 | 572720.75 | 512459.00 | 581906.25 | 1027651.83 | 710683.25 | |
| PE(34:1) | 4333648.25 | 4428816.50 | 5074188.75 | 4728382.00 | 4752105.00 | 4609990.33 | 4587797.50 | 4612924.33 | 4611798.00 | 4873580.83 | 4703488.50 | |
| PE(34:3) | 496480.50 | 615556.75 | 642685.50 | 684808.50 | 640330.71 | 535967.00 | 494741.75 | 625069.67 | 619674.50 | 711644.33 | 572672.00 | |
| PE(36:4) | 3192305.00 | 3094594.00 | 3291621.00 | 3232922.50 | 3279082.29 | 3161633.67 | 3074919.50 | 3196676.33 | 3053659.75 | 3119064.83 | 3283696.50 | |
| PE(36:5) | 765339.25 | 677863.00 | 735447.50 | 796108.25 | 859434.71 | 661377.00 | 742269.50 | 838021.67 | 757784.00 | 821828.33 | 810616.75 | |
| PE(38:1) | 3841299.75 | 4457599.75 | 4536099.75 | 4016017.00 | 4157350.71 | 3672152.33 | 3762039.00 | 3695986.67 | 4015396.00 | 4769175.50 | 4233610.75 | |
| PE(38:2) | 268216.00 | 358259.25 | 320205.75 | 286720.75 | 355700.00 | 227902.00 | 286948.75 | 265200.67 | 161984.50 | 755756.67 | 336390.75 | |
| PE(38:6) | 1464588.25 | 1526442.00 | 1661921.50 | 1681609.00 | 1651360.29 | 1565394.33 | 1254829.50 | 1426695.67 | 1530962.75 | 1456608.50 | 1680938.75 | |
| Pentylbenzene | 1465727.50 | 1402596.50 | 2324019.00 | 1395944.00 | 1212680.00 | 1647757.67 | 1888668.75 | 2118080.33 | 864136.50 | 570876.17 | 1277955.00 | |
| PE(O-38:5) | 3319020.50 | 3368300.75 | 3556858.50 | 3509913.50 | 3778152.29 | 3461838.67 | 3359782.00 | 3427504.67 | 3585068.50 | 3916459.50 | 4173070.75 | |
| PE(P-36:2) | 462887.25 | 636341.75 | 515580.75 | 592294.25 | 610038.29 | 554498.67 | 559996.50 | 564403.67 | 591348.00 | 677216.67 | 641041.50 | |
| PE(P-36:4) | 1324225.25 | 1387578.25 | 1319064.00 | 1344955.25 | 1374131.43 | 1307556.33 | 1294520.50 | 1345368.67 | 1464363.25 | 1595682.33 | 1179179.25 | |
| PE(P-38:5) | 2223342.50 | 2182096.00 | 2322527.25 | 2251226.50 | 2466286.14 | 2158243.67 | 2249694.75 | 2289309.33 | 2385760.50 | 2676029.67 | 2570115.75 | |
| PE(P-40:5) | 1437862.00 | 1636582.75 | 1659625.25 | 1658386.00 | 1778176.00 | 1581218.67 | 1596642.50 | 1681867.67 | 1906574.50 | 2198674.17 | 1937446.00 | |
| Phenolsulfonphthalein | 1203072.25 | 1956027.75 | 1675726.50 | 1185756.75 | 1420374.43 | 1046422.33 | 1436902.75 | 1431542.33 | 1342619.75 | 6764492.17 | 1318664.75 | |
| [PI(36:0) | 258808.00 | 313333.25 | 334016.50 | 315361.25 | 338243.71 | 265010.00 | 283596.75 | 290782.00 | 314397.75 | 400578.00 | 341407.25 | |
| Picolinamide | 24650000.00 | 31650000.00 | 29000000.00 | 21800000.00 | 27485714.29 | 21766666.67 | 26450000.00 | 26866666.67 | 20375000.00 | 28766666.67 | 19800000.00 | |
| Pipericine | 486556.75 | 592980.00 | 562669.00 | 362390.25 | 330476.40 | 163187.50 | 412761.67 | 1362596.00 | 496645.00 | 788599.83 | 526174.67 | |
| Pirbuterol | 871205.25 | 1306776.50 | 1039140.50 | 1022043.50 | 1114342.57 | 866167.67 | 980885.50 | 1039753.33 | 928545.50 | 1231707.00 | 1048078.50 | |
| p-Lactophenetide | 278868.75 | 408404.00 | 358889.50 | 345883.00 | 372982.71 | 268877.67 | 306537.75 | 231755.00 | 295059.00 | 405358.67 | 439256.75 | |
| Pro-Ser | 384058.50 | 21700.00 | 58216.00 | 26644.50 | 27338.50 | - | - | - | 490126.00 | 147626.83 | - | |
| (+)-Prosopinine | 185967.00 | 193287.25 | 139343.25 | 181412.50 | 198150.86 | 211736.33 | 197524.50 | 227288.33 | 185559.25 | 208137.50 | 204332.25 | |
| PS(34:0) | 726708.75 | 992819.25 | 840857.25 | 866051.50 | 967171.71 | 710308.33 | 915589.25 | 811996.67 | 986644.50 | 1641853.67 | 1161881.00 | |
| PS(34:1) | 708513.25 | 865613.75 | 881996.25 | 788121.50 | 944126.86 | 665668.67 | 771159.50 | 761804.67 | 800911.00 | 1237589.83 | 899925.75 | |
| PS(36:0) | 1437172.00 | 1934904.75 | 1829112.25 | 1619817.75 | 1937459.14 | 1437913.33 | 1662426.75 | 1662847.67 | 1713046.25 | 3569777.33 | 2191831.25 | |
| PS(52:0) | 145671.00 | 258242.67 | 143540.25 | 197702.50 | 203126.29 | 122641.00 | 208591.33 | 171890.67 | 223592.25 | 340584.17 | 242846.50 | |
| Pseudopelletierine | 49103.00 | 73340.25 | 73638.50 | 33294.25 | 61705.43 | 36160.67 | 23217.00 | 50828.67 | 18942.50 | 83295.67 | 18252.75 | |
| psicoselysine | 202051.50 | 261342.25 | 257270.00 | 212527.25 | 252995.29 | 189732.00 | 209756.50 | 213679.67 | 191649.50 | 252385.50 | 217759.75 | |
| Pyridoxal | 1452757.50 | 1708026.00 | 1697502.25 | 1501983.75 | 1723746.29 | 1428860.67 | 1540942.50 | 1598947.00 | 1198563.75 | 1647670.17 | 1291349.75 | |
| Pyridoxine | 6035458.75 | 7726561.50 | 7338252.25 | 5244929.25 | 6011695.00 | 4753164.67 | 6420835.50 | 6119192.33 | 4929364.00 | 6777477.50 | 5065217.75 | |
| (S)-1-Pyrroline-5-carboxylate | 67461.50 | 87501.75 | 84771.00 | 80784.00 | 78844.71 | 76379.67 | 73166.00 | 76656.67 | 71299.75 | 88355.33 | 79181.25 | |
| S-(2-Hydroxyethyl)glutathione | 103318.00 | 92007.00 | 88217.00 | 109104.00 | 93121.71 | 115154.33 | 121892.25 | 111805.67 | 116580.00 | 101049.00 | 108987.00 | |
| (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid | 145333.50 | 220284.50 | 284647.67 | 98371.50 | 117818.71 | 99266.50 | 155834.50 | 52872.50 | - | 148734.67 | 44276.00 | |
| S-Adenosyl-L-homocysteine | 745690.00 | 1051088.25 | 960236.50 | 841841.75 | 979215.57 | 654005.67 | 842082.00 | 810332.00 | 753573.25 | 1054575.83 | 964917.00 | |
| S-Adenosyl-L-methionine | 1132553.25 | 1362279.00 | 1313099.50 | 1445942.75 | 1256055.14 | 1253094.00 | 1071213.75 | 1391446.33 | 1077610.50 | 3405798.67 | 1165540.25 | |
| Ser-Arg | 172649.00 | - | 29751.00 | - | - | - | - | - | 182648.50 | - | - | |
| SM(d32:1) | 2466240.25 | 3053268.50 | 2717762.25 | 2376218.75 | 2494505.71 | 2244867.67 | 2521703.75 | 2347944.00 | 2434823.50 | 4019875.33 | 2555804.00 | |
| SM(d33:1) | 1460386.25 | 1798113.00 | 1531471.25 | 1422094.75 | 1290368.29 | 1358003.67 | 1489878.00 | 1391895.33 | 1437516.00 | 2846471.33 | 1588666.50 | |
| SM(d34:1) | 14475000.00 | 18950000.00 | 17525000.00 | 14800000.00 | 15414285.71 | 14033333.33 | 15475000.00 | 14066666.67 | 15475000.00 | 29666666.67 | 16500000.00 | |
| SM(d34:2) | 2009123.00 | 2653042.50 | 2607851.50 | 1995008.00 | 2069439.29 | 1793317.00 | 2119437.50 | 1926103.33 | 2069859.50 | 3873147.33 | 2269894.75 | |
| SM(d35:1) | 495952.50 | 684778.25 | 597830.25 | 550281.00 | 568882.71 | 516948.33 | 550931.75 | 449566.00 | 564964.75 | 945412.67 | 619299.00 | |
| SM(d36:1) | 1836346.00 | 2232094.00 | 2196231.25 | 1750176.50 | 1889194.00 | 1713584.33 | 1931294.50 | 1663451.33 | 1789981.75 | 3551673.50 | 1953861.25 | |
| SM(d36:2) | 1002279.50 | 1272570.00 | 1162047.00 | 1014221.75 | 1087058.14 | 972695.67 | 1106723.50 | 749825.33 | 977080.75 | 1466098.50 | 1104742.50 | |
| SM(d38:2) | 475764.00 | 511979.25 | 520821.50 | 427515.50 | 424904.86 | 428314.00 | 443637.75 | 396305.67 | 431127.00 | 718431.00 | 487855.75 | |
| SM(d40:1) | 1851627.50 | 1801844.75 | 1941657.75 | 1970017.75 | 1938582.71 | 1842991.67 | 2161178.75 | 2073479.33 | 2372105.00 | 2836528.17 | 2379977.75 | |
| SM(d40:2) | 1452852.50 | 1711970.50 | 1669592.25 | 1517752.50 | 1523445.86 | 1382292.67 | 1484990.50 | 1407710.33 | 1417233.75 | 2396045.67 | 1595424.75 | |
| SM(d41:1) | 553559.00 | 622440.00 | 507091.00 | 545750.25 | 578645.00 | 531762.00 | 553227.75 | 508522.00 | 577263.75 | 610960.40 | 611011.50 | |
| SM(d41:2) | 699085.75 | 746484.00 | 810456.25 | 760319.00 | 696012.86 | 672632.67 | 759999.75 | 708870.00 | 726622.50 | 1093269.83 | 727402.50 | |
| SM(d42:2) | 13425000.00 | 13633234.75 | 15050000.00 | 13100000.00 | 13900000.00 | 12333333.33 | 13475000.00 | 13266666.67 | 13825000.00 | 14646140.33 | 14875000.00 | |
| SM(d44:2) | 651866.50 | 829655.00 | 627324.00 | 759170.75 | 634424.71 | 635587.00 | 721321.25 | 649253.67 | 818670.75 | 821492.17 | 821044.25 | |
| sn-glycero-3-Phosphocholine | 4968081.25 | 7065710.00 | 6026600.50 | 5381129.75 | 6183076.14 | 4088819.00 | 5316545.25 | 5210239.00 | 5164819.00 | 7413622.67 | 6098144.00 | |
| [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine | 1005747.00 | 1097630.25 | 1123054.00 | 1320337.75 | 1217896.71 | 998253.33 | 1208386.25 | 1204178.67 | 1399150.50 | 1388494.83 | 1464116.50 | |
| [SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine | 4257341.50 | 4888800.75 | 3920147.00 | 5783477.75 | 5049860.00 | 4506473.00 | 5727021.25 | 5387778.33 | 8480413.25 | 5199537.33 | 7889988.25 | |
| [SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol | 342396.25 | 429286.75 | 440386.50 | 458180.75 | 470543.14 | 338587.67 | 448021.25 | 407011.67 | 412059.25 | 530194.00 | 365775.25 | |
| [SP] Sphing-4-enine | 571227.00 | 618572.50 | 600252.50 | 584711.75 | 598990.57 | 475197.67 | 587119.50 | 564920.00 | 590648.75 | 648843.00 | 636041.75 | |
| [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene | 194557.75 | 284350.75 | 283127.25 | 254680.25 | 284960.71 | 208640.00 | 226239.25 | 246149.00 | 234051.25 | 325869.83 | 253306.25 | |
| Stearoylcarnitine | 3184687.75 | 4278326.00 | 3855745.75 | 3994665.75 | 3903209.71 | 2917849.67 | 3365514.00 | 3491462.67 | 3330592.50 | 3791843.33 | 4010643.00 | |
| Sulfacetamide | 59772.50 | 85845.00 | 78387.50 | 61251.00 | 78791.29 | 62105.67 | 46422.00 | 68183.67 | 58728.25 | 174361.33 | 63789.00 | |
| Thiamin | 512515.00 | 600560.00 | 565484.50 | 469347.25 | 508640.57 | 390197.33 | 526702.50 | 508282.67 | 400253.00 | 599596.83 | 462445.00 | |
| Thr-Ala | 294306.25 | 399125.25 | 358516.50 | 389700.25 | 378548.00 | 268720.67 | 315160.25 | 348156.33 | 320744.00 | 446619.67 | 357558.00 | |
| Thr-Arg | 100459.25 | - | - | - | - | - | - | - | 125675.00 | 52342.50 | - | |
| Thr-Cys | 65335.33 | 74450.25 | 58892.25 | 53486.00 | 71873.67 | - | 47506.50 | 40082.67 | 63078.00 | 89220.50 | 33576.50 | |
| Thr-Pro | 1407092.25 | 1477723.50 | 1356895.50 | 150928.25 | 1269566.14 | 152284.33 | 1047520.00 | 184115.67 | 1768249.75 | 1170927.33 | 1318772.75 | |
| Tributyl phosphate | 887462.00 | 657696.25 | 734651.00 | 1033603.00 | 600996.43 | 641408.67 | 1255341.00 | 2047457.33 | 826090.25 | 767884.17 | 911196.50 | |
| Triethanolamine | 89749.00 | 104066.50 | 103648.00 | 117388.25 | 121469.86 | 94792.33 | 82043.00 | 106650.00 | 91630.25 | 93803.17 | 181514.25 | |
| Trimethyl-2-propenylpyrazine | 192258.75 | 141848.50 | 199867.00 | 158718.50 | 190840.14 | 174082.00 | 192264.00 | 207045.00 | 183540.75 | 166381.00 | 198642.25 | |
| Trp-Cys-Gly | 89494.00 | 190416.75 | 173638.75 | 113186.50 | 154199.86 | 91213.00 | 116089.75 | 131910.00 | 51481.00 | 215656.83 | 91247.00 | |
| Trp-Trp-Tyr-Tyr | 2609623.25 | 4743128.25 | 3795020.25 | 1774630.25 | 2646859.14 | 2296604.00 | 3797809.50 | 2394012.00 | 2315331.75 | 9469640.33 | 1751929.50 | |
| UDP | 81545.00 | 110729.00 | 96927.25 | 93158.00 | 98400.00 | 88744.67 | 96164.25 | 92106.67 | 70094.00 | 218122.83 | 80510.75 | |
| Undecanoylcholine | 200577.75 | 219969.50 | 166270.50 | 185626.50 | 200480.14 | 167990.00 | 167249.25 | 158393.00 | 201796.25 | 226127.33 | 188486.00 | |
| Val-Arg | 165336.25 | - | 23118.00 | - | - | - | - | - | 203342.00 | 57186.00 | - | |
| xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole | 3924463.50 | 3933776.50 | 3830223.75 | 3540105.25 | 3674651.43 | 3688685.00 | 3807030.00 | 3700274.00 | 3471712.00 | 3823732.50 | 3124621.75 |
Factors:
| F1 | Condition:Aqm treated |
| F2 | Condition:Atov treated |
| F3 | Condition:CQ treated |
| F4 | Condition:DHA treated |
| F5 | Condition:DMSO treated |
| F6 | Condition:JPC treated |
| F7 | Condition:LF treated |
| F8 | Condition:MQ treated |
| F9 | Condition:PYN treated |
| F10 | Condition:QC |
| F11 | Condition:TQ treated |
