Data for ST000818
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 | F38 | F39 | F40 | F41 | F42 | F43 | F44 | F45 | F46 | F47 | F48 | F49 | F50 | F51 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
16:0-18:0 PC (M+H)+ | 1227743.91 | 1287163.06 | 1412551.89 | 898618.09 | 1347951.00 | 1155346.00 | 1030116.90 | 1118318.53 | 1258485.00 | 1207819.82 | 1447433.85 | 1195041.00 | 1437993.58 | 1878361.60 | 1344700.29 | 1602847.25 | 1321900.00 | 593422.00 | 2097633.00 | 1868260.00 | 545305.00 | 1349110.50 | 1382732.00 | 1156012.00 | 368016.00 | 2208546.00 | 1660937.83 | 904639.00 | 1638549.00 | 1975027.00 | 1350918.00 | 1834081.00 | 215283.00 | 1462391.55 | 2076081.83 | 1112567.00 | 821548.50 | 1277639.86 | 1427724.65 | 1303372.90 | 1910465.44 | 1264781.44 | 1331408.08 | 1232842.91 | 1257529.42 | 1360932.94 | 1526633.92 | 1139850.31 | 1206140.50 | 1273513.40 | 1489588.11 | |
16:0 LYSO PC (M+H)+ | 37959556.73 | 27200726.50 | 32713399.39 | 24402087.36 | 31044575.82 | 27319756.00 | 24412690.80 | 35242293.95 | 17363008.00 | 39752228.24 | 32972829.00 | 19573374.00 | 30963424.29 | 34370693.60 | 42965165.14 | 34785887.00 | 17601164.00 | 43481200.00 | 53898768.00 | 55011304.00 | 15968679.00 | 19033499.75 | 15888620.00 | 48458868.00 | 38679572.00 | 18819226.00 | 44206442.83 | 18234616.00 | 41410104.40 | 17193600.00 | 20531694.00 | 26863986.00 | 22532290.00 | 30308003.36 | 38091271.67 | 3776432.00 | 11089887.50 | 28720724.71 | 35097698.09 | 32817782.10 | 36276370.00 | 29817873.44 | 28321805.58 | 37787794.82 | 31972302.58 | 35818256.94 | 27205772.77 | 27364073.75 | 32907149.43 | 31964821.80 | 30303221.78 | |
16:0 LYSO PC (M+Na)+ | 2868249.27 | 2685217.61 | 3073669.00 | 2309640.91 | 3443277.00 | 2086035.62 | 3003437.70 | 3016607.68 | 1625937.00 | 2948989.82 | 4297775.92 | 2069347.00 | 2844449.62 | 3921079.40 | 3380490.14 | 2192416.75 | 1545263.00 | 3824629.00 | 1993089.00 | 4957561.00 | 1689572.00 | 2256338.50 | 4165628.00 | 1908750.00 | 3298748.00 | 5363638.00 | 5243003.83 | 3395262.00 | 4588863.60 | 4180978.00 | 1326074.00 | 4951106.00 | 3155679.00 | 2690754.73 | 2476592.50 | 4478071.00 | 2366196.00 | 3489421.14 | 2976905.26 | 3552168.52 | 2519537.33 | 2791603.00 | 2527169.75 | 2391607.36 | 3189047.68 | 3214613.35 | 2578160.31 | 2629060.94 | 3283443.50 | 3255902.80 | 2599903.00 | |
18:0 LYSO-PE (M+H)+ | 512569.00 | 494952.71 | 594369.44 | 390384.00 | 534365.13 | 403624.89 | 458557.71 | 386781.29 | 643991.00 | 409618.29 | 407798.11 | - | 297305.43 | 379262.25 | 330389.17 | 258957.50 | 458437.00 | 227914.00 | 214599.00 | 416791.00 | 221906.00 | 382489.33 | - | 406678.00 | 285136.00 | 470482.00 | 500764.80 | 401067.00 | 409975.60 | 457250.00 | 480607.00 | 474411.00 | 80090.00 | 354851.60 | 224258.17 | - | - | 563631.33 | 355411.65 | 387149.74 | 321926.67 | 515674.53 | 391696.82 | 626067.10 | 600648.29 | 451548.13 | 466891.45 | 431869.92 | 398314.75 | 379456.28 | 375551.29 | |
18:0 LYSO-PE (M+Na)+ | 116907.18 | 93667.06 | 120628.83 | 83956.10 | 87085.54 | 77585.69 | 87717.89 | 81918.16 | - | 86246.94 | 77593.11 | 36105.00 | 50107.62 | 35325.00 | 76622.60 | 56652.75 | 64937.00 | 72413.00 | - | - | 32069.00 | 45089.00 | 36241.00 | 91511.00 | 72447.00 | - | 82251.00 | - | 94719.00 | - | - | - | 23038.00 | 57218.29 | 44591.50 | 63426.00 | 46716.50 | 122276.50 | 68137.00 | 79391.07 | 55310.62 | 89428.53 | 61880.00 | 127731.73 | 106330.05 | 78295.94 | 73276.50 | 71612.17 | 84158.07 | 71200.22 | 88940.33 | |
1-METHYLADENOSINE (M+H)+ | 18686.18 | 19810.61 | 20993.24 | 20257.55 | 23250.47 | 21134.54 | 21339.00 | 20231.11 | 29362.00 | 24756.82 | 24489.77 | 24320.00 | 23752.38 | 21986.60 | 19752.43 | 27542.50 | 17440.00 | 22458.00 | 17367.00 | 25806.00 | 27560.00 | 29036.75 | 30375.00 | 37042.00 | 25960.00 | 25602.00 | 32783.83 | 23654.00 | 25364.40 | 39127.00 | 38405.00 | 23465.00 | 22180.00 | 26579.55 | 18294.00 | 30072.00 | 22491.50 | 21326.14 | 29160.78 | 24765.29 | 32420.11 | 24918.94 | 24996.83 | 23342.73 | 25391.37 | 21121.53 | 25518.15 | 18892.00 | 23597.64 | 24239.05 | 25779.33 | |
1-METHYLXANTHINE (M+H)+ | 4467880.82 | 3816312.00 | 3562369.00 | 3634850.80 | 4349837.62 | 3274599.69 | 3750569.38 | 4308052.88 | 4913243.00 | 4793340.59 | 4788285.08 | 1839754.00 | 4281815.21 | 4497678.20 | 3600035.71 | 3631382.33 | 4520098.00 | 4898940.00 | 3948030.00 | 4909529.00 | 2691792.00 | 2745145.00 | 3182123.00 | 4797620.00 | 4605656.00 | 5260918.00 | 4904565.67 | 5823504.00 | 5527816.60 | 5675307.00 | 2874081.00 | 4716914.00 | 4434163.00 | 3811319.27 | 4375072.67 | 3964218.00 | 3163502.00 | 4287303.71 | 5657426.27 | 4443437.60 | 3191018.22 | 4254633.25 | 3574373.75 | 3979336.09 | 3880403.18 | 4278085.18 | 3762787.17 | 3733247.81 | 4883111.23 | 3936265.68 | 4943067.43 | |
1-METHYLXANTHINE (M+Na)+ | 44638.00 | 71444.67 | 45055.00 | 73196.25 | 55419.00 | 78084.38 | 56783.67 | 61935.40 | 60282.00 | 73189.60 | 116804.62 | 83355.00 | 81056.00 | 104247.00 | 52994.67 | 82783.00 | 62831.00 | - | - | - | - | 58915.00 | 127951.00 | - | 57300.00 | - | 101878.00 | 66449.00 | - | - | - | - | - | 63819.25 | 49894.33 | 183037.00 | 123206.00 | 88656.50 | 123838.00 | 56003.50 | 78259.67 | 64220.17 | 55816.17 | 49754.33 | 62389.56 | 72367.86 | 69695.00 | 71467.88 | 62697.00 | 58548.00 | 79625.50 | |
20:0 LYSO PC (M+H)+ | 485607.88 | 789484.73 | 659194.85 | 594666.83 | 1536048.10 | 418599.20 | 416332.00 | 581806.91 | 1019317.00 | 361327.73 | 599739.91 | 405671.00 | 706373.69 | 807024.00 | 744915.00 | 271853.00 | 846560.00 | - | - | 602294.00 | 99128.00 | 914477.50 | 320817.00 | 295582.00 | 172997.00 | 986121.00 | 1766523.80 | 945643.00 | 807865.00 | 1749974.00 | 949038.00 | 1341503.00 | - | 699847.22 | 729795.00 | 444024.00 | 399425.00 | 390119.83 | 346975.53 | 977190.19 | 266849.33 | 1370304.69 | 1360025.43 | 655593.86 | 478561.50 | 1149221.82 | 1266833.90 | 983028.00 | 596667.00 | 723866.29 | 790903.71 | |
20:0 LYSO PC (M+Na)+ | 615699.12 | 1328937.67 | 1152872.87 | 1220308.67 | 3612223.56 | 839924.60 | 661145.11 | 1312607.82 | 2094690.00 | 697780.27 | 1281556.27 | 780645.00 | 1386276.33 | 1659299.25 | 961304.67 | 658781.00 | 2417424.00 | - | - | - | 68321.00 | 1692456.50 | 751076.00 | 245941.00 | 57309.00 | 965987.00 | 3520414.20 | 1830974.00 | 1410836.50 | 3852331.00 | 2127661.00 | 2484973.00 | - | 1235374.67 | 1194765.00 | 1506180.00 | 987653.00 | 596976.67 | 571699.38 | 1836994.06 | 444972.00 | 3543978.46 | 3052746.57 | 1137573.62 | 1105516.86 | 2777275.55 | 2701159.10 | 1727984.67 | 765893.30 | 1222521.08 | 1007831.29 | |
24:0 SM (D18:1/24:0) (M+H)+ | 3312151.00 | 2231341.45 | 4076172.14 | 2114073.33 | 5914216.45 | 1691694.89 | 2138755.12 | 3099169.92 | 4088003.00 | 2827317.89 | 2270291.00 | 1135012.00 | 4891602.40 | 5225894.00 | 4619917.50 | 3359324.67 | 3603990.00 | - | - | 3044210.00 | - | 5759480.00 | 652504.00 | 1970071.00 | 801066.00 | 7029271.00 | 4652542.00 | 5322146.00 | 3958340.60 | 19225668.00 | - | 2307214.00 | - | 4599534.62 | 9944973.67 | 550281.00 | 397259.50 | 1601397.20 | 2736957.24 | 3678947.33 | 7157275.83 | 3380646.50 | 4904705.12 | 5041314.62 | 3199364.83 | 3861484.00 | 5000652.67 | 2922199.18 | 2536761.80 | 4519139.92 | 3921693.86 | |
24:0 SM (D18:1/24:0) (M+Na)+ | 3048375.75 | 3107258.25 | 5209953.83 | 3293538.33 | 5472851.20 | 3001933.20 | 2974125.00 | 2502437.64 | 7571595.00 | 2963880.11 | 3340276.78 | - | 4636340.79 | 3733026.00 | 2574954.50 | 5108341.00 | 5760607.00 | - | - | 3463686.00 | - | 2766839.00 | - | 2388149.00 | 218569.00 | 8253835.00 | 7179822.40 | 8166993.00 | 5573534.20 | 4688986.00 | - | 3497905.00 | - | 3400609.71 | 5366253.00 | - | - | 1926920.75 | 3081554.92 | 4615376.29 | 6220364.33 | 4223085.55 | 5446690.29 | 3777127.62 | 3760962.67 | 4794506.50 | 6369127.14 | 3515455.50 | 3645184.50 | 4398068.18 | 3286946.20 | |
2^,4^-DIHYDROXYACETOPHENONE (M+H)+ | - | 2164.00 | 26770.50 | 2590.00 | 5386.50 | 11476.80 | 41001.00 | 11065.12 | - | 5553.43 | 7714.25 | - | 1092.50 | - | - | 9327.00 | - | - | 5529.00 | - | - | 3125.00 | 1067.00 | - | - | - | - | - | - | - | - | - | - | 12974.00 | 2477.00 | 5359.00 | 2419.00 | 16530.00 | 4346.67 | - | - | 1274.00 | - | 12262.00 | 3808.50 | 17096.00 | 29470.00 | 1292.00 | - | 14765.25 | 23070.33 | |
25-HYDROXYCHOLESTEROL (M+H)+[-H2O] | 39486.80 | 57499.29 | 34188.89 | 104133.60 | 58320.33 | 28043.71 | 16028.60 | 94380.50 | 3013.00 | 60424.55 | 17875.50 | - | 47559.00 | - | 128040.00 | 124639.00 | 15061.00 | 120178.00 | 106596.00 | - | 17865.00 | 24737.33 | - | 16599.00 | 11043.00 | - | 13450.00 | 20522.00 | - | - | 26688.00 | - | 161730.00 | 16661.83 | 95808.00 | - | - | 18751.50 | 49916.82 | 49183.75 | 112019.00 | 48833.33 | 53790.83 | 38237.60 | 51186.33 | 62086.38 | 45177.60 | 61147.29 | 61223.40 | 60557.75 | 54313.67 | |
2-DEOXY-D-GLUCOSE (M+Na)+ | 350302.75 | 300436.80 | 498983.53 | 378790.44 | 268717.09 | 199229.90 | 250497.11 | 375100.45 | 322047.00 | 304301.43 | 193795.86 | 122320.00 | 419289.58 | 471610.00 | 570855.75 | 164183.00 | 519009.00 | - | 206674.00 | 1064960.00 | 90095.00 | 223045.75 | 75058.00 | 653033.00 | 338794.00 | 600260.00 | 351279.00 | 679897.00 | 725965.67 | 575924.00 | 25911.00 | - | 393056.00 | 211211.62 | 422898.25 | 178098.00 | 138845.00 | 258241.00 | 232377.60 | 311693.88 | 230744.62 | 457852.00 | 345860.50 | 321598.33 | 349526.14 | 345354.75 | 314184.33 | 369755.08 | 430025.00 | 315249.00 | 350724.50 | |
3-(4-HYDROXYPHENYL)LACTIC ACID (M+Na)+ | 18015.00 | 39435.25 | 15070.00 | 20013.75 | 21198.80 | 21386.67 | 20333.33 | 19398.90 | - | 23351.00 | 22264.00 | - | 20095.75 | 11422.00 | 10387.25 | 6591.00 | - | 7320.00 | 40669.00 | - | - | 13146.75 | - | - | - | - | - | - | - | - | 10453.00 | - | 49396.00 | 6713.40 | 15451.50 | - | - | 23245.00 | 52952.67 | 6520.20 | 21737.00 | 6925.25 | 13942.67 | 20991.67 | 38257.00 | 37328.86 | 36104.83 | 13876.25 | 32524.25 | 11066.12 | 10370.33 | |
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O] | 861344.55 | 814163.56 | 1050161.17 | 870041.45 | 1366961.00 | 1044829.00 | 1252141.10 | 1107628.37 | 5007781.00 | 1570463.00 | 1312569.69 | 155262.00 | 306202.83 | 416585.75 | 653193.00 | 478811.00 | 409051.00 | 469305.00 | 232148.00 | 413319.00 | 129232.00 | 269633.00 | 192239.00 | 796501.00 | 672133.00 | 717939.00 | 609453.50 | 146691.00 | 1078885.00 | 241742.00 | 208272.00 | 675665.00 | 415801.00 | 466682.50 | 520952.50 | 119691.00 | 173865.50 | 517163.71 | 643065.35 | 511596.50 | 654284.89 | 582263.28 | 489140.73 | 818750.55 | 807516.67 | 938744.19 | 679052.85 | 672023.94 | 798313.57 | 499250.72 | 353111.00 | |
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+ | 6969.25 | 18661.20 | 10449.43 | 12332.00 | 15377.38 | 9434.78 | 11294.25 | 17390.08 | 14958.00 | 11925.50 | 19750.00 | 13695.00 | 18856.78 | 22754.75 | 8838.67 | 14632.00 | 30873.00 | 3830.00 | 20658.00 | 3608.00 | 8909.00 | 15740.00 | 13357.00 | 6010.00 | 7877.00 | 7054.00 | 24444.00 | 23313.00 | 14237.33 | 31600.00 | 24987.00 | 21194.00 | 1673.00 | 24407.11 | 10817.75 | 11244.00 | 12750.00 | 6063.00 | 9017.39 | 15709.72 | 17713.67 | 26007.56 | 29141.67 | 12850.78 | 18957.00 | 18590.87 | 20337.70 | 12502.85 | 11185.46 | 12834.56 | 11537.86 | |
3-METHOXYTYROSINE (M+H)+ | 125759.18 | 120472.71 | 111100.11 | 110623.36 | 113347.65 | 69366.69 | 82090.40 | 89615.84 | 149384.00 | 128352.06 | 101838.58 | 31565.00 | 86980.04 | 95463.20 | 114488.00 | 104406.75 | 172089.00 | 110884.00 | 374257.00 | 133715.00 | 74693.00 | 54265.50 | 69814.00 | 174490.00 | 123987.00 | 220277.00 | 149379.50 | 95735.00 | 118645.20 | 151891.00 | 74376.00 | 89580.00 | 171032.00 | 90130.55 | 85860.83 | 95676.00 | 14491.50 | 86787.29 | 103531.26 | 103905.48 | 81476.33 | 120097.24 | 108141.50 | 104657.60 | 82861.47 | 125465.18 | 88559.85 | 94594.25 | 124190.00 | 112690.55 | 114867.88 | |
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+ | 23649.09 | 22542.18 | 51937.33 | 90160.82 | 29050.46 | 31918.00 | 25641.22 | 12431.83 | 8863.00 | 29540.62 | 33763.91 | - | 14167.38 | 9680.75 | 8890.33 | 11505.50 | 9110.00 | - | - | 16979.00 | 3849.00 | 8226.00 | - | 29121.00 | 10627.00 | - | 18010.50 | 4601.00 | 15744.67 | 8114.00 | 19331.00 | - | 18151.00 | 24695.38 | 18708.67 | 43142.00 | - | 32918.71 | 31270.74 | 28053.86 | 18693.71 | 17644.00 | 18313.80 | 46028.33 | 53901.71 | 33267.25 | 46200.58 | 15261.31 | 10675.36 | 31415.88 | 26927.14 | |
5-AMINOPENTANOIC ACID (M+H)+ | 12600052.45 | 9853092.67 | 7729019.83 | 8555880.45 | 14813340.06 | 5795163.62 | 18903404.60 | 11972052.89 | 9605792.00 | 12991523.53 | 12495611.00 | 1211522.00 | 12066290.25 | 5500153.80 | 13746879.29 | 3086553.25 | 16741779.00 | 24100800.00 | 1081108.00 | 10526501.00 | 1547241.00 | 1998966.00 | 125484.00 | 13615086.00 | 15375803.00 | 19398040.00 | 7007953.17 | 23159926.00 | 13661952.20 | 17956404.00 | 3297433.00 | 21221312.00 | 16448269.00 | 7475464.55 | 9829126.50 | 2152477.00 | 2838417.00 | 6803393.14 | 23652517.30 | 9267745.48 | 3534440.38 | 10284093.00 | 8094101.58 | 6991716.64 | 11469107.11 | 8291321.29 | 7510319.15 | 8803804.19 | 10182535.43 | 12188519.70 | 12672120.11 | |
5-HYDROXYINDOLEACETIC ACID (M+Na)+ | 25702.00 | 12085.67 | 21495.00 | 17709.00 | 19724.25 | 5423.00 | 12965.00 | 13009.40 | - | 15710.00 | 22428.80 | - | 12920.40 | 18870.67 | 18252.80 | - | - | - | - | - | - | - | - | - | - | - | 39121.00 | - | 21993.00 | - | - | 29713.00 | - | 34301.50 | 2691.00 | - | - | 17951.67 | 12845.00 | 20789.80 | 10796.00 | 20224.50 | 13434.50 | 22386.50 | 17328.75 | 19060.20 | 12974.67 | 11925.50 | 28690.50 | 17874.20 | 34886.00 | |
5-HYDROXYTRYPTOPHAN (M+H)+ | 74334.70 | 55762.12 | 60002.38 | 66132.80 | 72825.12 | 57778.36 | 64857.25 | 65214.00 | 123741.00 | 92548.94 | 100144.85 | - | 60818.52 | 66493.80 | 69784.57 | 54911.33 | - | 63310.00 | 74365.00 | 60914.00 | 31713.00 | 46562.67 | - | 121729.00 | 93851.00 | 76036.00 | 103814.50 | 67579.00 | 99417.20 | 110871.00 | 62867.00 | 84747.00 | 119167.00 | 90589.45 | 56388.80 | 70417.00 | - | 69770.14 | 74279.77 | 71889.47 | 57723.67 | 81163.12 | 80822.36 | 82800.30 | 86985.44 | 74937.29 | 63433.00 | 60974.69 | 81527.57 | 66185.22 | 53108.75 | |
5^-METHYLTHIOADENOSINE (M+H)+ | 111914.33 | 79083.38 | 94735.86 | 76012.10 | 85269.92 | 68024.46 | 76669.78 | 81257.36 | 135472.00 | 124230.00 | 122671.30 | 43717.00 | 98528.05 | 153977.67 | 77589.25 | 71154.67 | 94574.00 | 59344.00 | - | 196237.00 | 73609.00 | 85009.25 | 45231.00 | 110310.00 | 117597.00 | 203732.00 | 130358.00 | 150710.00 | 202495.00 | 169956.00 | 95249.00 | - | 40553.00 | 103466.11 | 84061.20 | 115547.00 | 76704.00 | 96069.80 | 121924.33 | 96682.35 | 89093.00 | 110425.77 | 90137.44 | 99689.56 | 76291.93 | 89374.00 | 99702.00 | 72119.93 | 101395.73 | 93316.59 | 96380.62 | |
ACETAMINOPHEN (TN TYLENOL) (M+H)+ | - | - | 4471.50 | - | 6430.50 | 53142.00 | 12223.50 | 9690.50 | - | 233413.50 | 14148.00 | - | 467054.57 | 2792.00 | 218839.50 | - | - | - | - | - | - | - | - | - | 14729.00 | - | 409617.00 | 65199.00 | 7035.00 | - | - | 51631.00 | - | 277485.75 | 4400709.00 | 638984.00 | 1013879.00 | 3221.00 | 1012.00 | 805061.20 | 9435.00 | - | - | - | 1402365.00 | 2577173.50 | 5705786.00 | - | 957693.00 | 485170.40 | 159798.00 | |
ACETAMINOPHEN (TN TYLENOL) (M+Na)+ | 6415.75 | 6795.00 | 6151.67 | 5477.00 | 11469.00 | 56529.20 | 142637.00 | 332778.00 | 1017888.00 | 10988.62 | 11418.17 | - | 169843.85 | 10171.00 | 157798.00 | 15548.00 | 5531.00 | 8396.00 | 9011.00 | 12747.00 | - | 2266.00 | - | 12376.00 | 11874.00 | - | 15419.00 | 59510.00 | 10892.50 | 6472.00 | 1047.00 | 10846.00 | 12677.00 | 61693.60 | 758216.40 | - | - | 9502.00 | 12846.11 | 281730.17 | 228867.25 | 7103.70 | 8299.33 | 9660.67 | 359556.00 | 542434.58 | 813716.40 | 5299.20 | 97396.22 | 173863.62 | 10896.67 | |
ACETYLCARNITINE (M+H)+ | 464650.73 | 749637.11 | 598376.50 | 751746.73 | 779408.29 | 679960.46 | 876648.40 | 470706.37 | 577739.00 | 669738.44 | 749784.33 | 1452973.00 | 936969.62 | 1039034.40 | 402785.86 | 618103.25 | 2588965.00 | 440869.00 | 2087963.00 | 545327.00 | 768603.00 | 731097.00 | 1314650.00 | 385012.00 | 683937.00 | 484722.00 | 1136229.00 | 934073.00 | 585312.60 | 630588.00 | 2449212.00 | 1107787.00 | 563155.00 | 1487221.91 | 667805.83 | 845744.00 | 1692956.50 | 512399.71 | 666853.73 | 1242331.86 | 609042.62 | 1287474.17 | 1136600.58 | 889641.36 | 706461.11 | 1136605.88 | 677093.92 | 716194.13 | 628367.86 | 665604.60 | 751843.67 | |
ALPHA-LINOLENIC ACID (M+Na)+ | 111029.43 | 143219.08 | 185450.69 | 126725.11 | 198299.08 | 188612.38 | 168993.71 | 189969.50 | 264213.00 | 158750.73 | 179710.45 | 89649.00 | 129705.75 | 167744.00 | 136724.00 | 222133.67 | 238811.00 | 98414.00 | 197699.00 | 33695.00 | - | - | 172574.00 | 68934.00 | 107141.00 | 54168.00 | 155914.17 | 101211.00 | 105182.40 | 99938.00 | - | 202340.00 | 56834.00 | 162139.00 | 106067.75 | 184552.00 | 121684.50 | 142566.50 | 146405.00 | 123736.31 | 101756.67 | 190064.71 | 208378.43 | 182619.29 | 209775.21 | 192711.57 | 109030.25 | 136082.09 | 127942.91 | 118743.77 | 98658.57 | |
ALPHA-TOCOPHEROL (M+H)+ | 66845.18 | 60702.11 | 36690.39 | 62036.36 | 64678.88 | 82991.23 | 35755.60 | 118769.89 | 26807.00 | 77324.00 | 58744.92 | 43823.00 | 70591.67 | 46039.60 | 121874.14 | 73842.75 | 30805.00 | 149611.00 | 65853.00 | 41297.00 | 88495.00 | 64710.75 | 53651.00 | 76411.00 | 54655.00 | 33634.00 | 62896.83 | 24444.00 | 40972.80 | 9667.00 | 34552.00 | 69298.00 | 183259.00 | 61010.73 | 129655.50 | 56127.00 | 36989.00 | 46990.57 | 55977.36 | 63879.33 | 132562.11 | 62195.06 | 52982.58 | 49809.36 | 66518.16 | 88581.12 | 67601.92 | 91957.50 | 77118.14 | 88033.20 | 58432.22 | |
ASPARAGINE (M+H)+ | 15285.67 | 9430.30 | 7020.00 | 8187.40 | 36382.30 | 22586.67 | 11974.25 | 14405.17 | 11793.00 | 12252.09 | 18645.20 | - | 21359.67 | 27629.00 | 21566.50 | 16771.00 | 38289.00 | 29022.00 | 7267.00 | - | - | 4710.00 | - | 20119.00 | 18110.00 | - | 18908.67 | 52791.00 | 31972.50 | - | 6942.00 | 34121.00 | 12037.00 | 32788.38 | 33760.33 | - | - | 9077.67 | 19327.33 | 23948.89 | 21868.00 | 21716.62 | 18825.86 | 11276.00 | 13845.78 | 22035.55 | 9461.83 | 19801.38 | 22077.17 | 20918.70 | 12651.50 | |
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ | 1133445.00 | 1164611.53 | 1787592.28 | 1092570.80 | 2004379.94 | 1436931.54 | 1570096.00 | 1554673.67 | 2226169.00 | 1301466.60 | 1546640.31 | 1178290.00 | 1373606.42 | 2026125.80 | 1507559.67 | 1003824.00 | 2492860.00 | 323008.00 | 474033.00 | 1939080.00 | 1146214.00 | 1089560.00 | 1169342.00 | 2030234.00 | 1605811.00 | 2320356.00 | 2803594.17 | 2005225.00 | 2266545.20 | 2129673.00 | 1279914.00 | 3450821.00 | 241979.00 | 1613128.00 | 674074.83 | 1302851.00 | 1317769.00 | 1712517.43 | 1284485.83 | 1725145.71 | 971667.11 | 1609737.00 | 1368491.80 | 1353248.82 | 1224511.89 | 1760637.47 | 1836580.77 | 1297467.94 | 1325673.43 | 1448743.00 | 1204622.00 | |
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+Na)+ | 2777606.00 | 2418798.73 | 4278126.12 | 2815428.20 | 6053277.80 | 5544030.82 | 4811758.67 | 4799359.40 | 6119504.00 | 2950997.53 | 3939510.82 | 2938587.00 | 4364228.00 | 6879018.00 | 4236409.00 | 3929714.67 | 7415086.00 | 464073.00 | 1089077.00 | 4349278.00 | 4269630.00 | 5142111.33 | 5467804.00 | 5541768.00 | 2252431.00 | 6818046.00 | 6016858.00 | 5720288.00 | 5956512.00 | 8787696.00 | 6743619.00 | 9215543.00 | 342696.00 | 5897827.33 | 1807147.00 | 6303257.00 | 4515923.50 | 4647927.67 | 3300508.20 | 4838265.80 | 2259986.50 | 4498250.25 | 3456106.56 | 2942998.67 | 2590179.82 | 6097488.67 | 7188619.27 | 2635523.77 | 2815694.92 | 4208540.53 | 3659851.62 | |
BUTYRYLCARNITINE (*) (M+H)+ | 279533.30 | 324419.76 | 167667.62 | 147932.00 | 318654.88 | 278196.00 | 334832.67 | 151846.39 | 635409.00 | 271680.41 | 231149.00 | 603756.00 | 154527.62 | 138258.60 | 105986.17 | 74018.50 | 83624.00 | 216898.00 | 26962.00 | 116318.00 | 24950.00 | 96763.25 | 87037.00 | 69341.00 | 494840.00 | 200159.00 | 210683.67 | 118770.00 | 466598.40 | 76736.00 | 1045364.00 | 497076.00 | 112340.00 | 184020.27 | 114134.67 | 96267.00 | 165945.50 | 211676.14 | 261723.59 | 145537.57 | 133274.44 | 260244.76 | 107179.25 | 85735.50 | 131214.65 | 278914.20 | 226157.33 | 364365.80 | 198268.77 | 218449.85 | 179987.11 | |
CAFFEINE (M+H)+ | 3384616.18 | 2576733.33 | 2100911.50 | 2223837.29 | - | - | - | - | - | 7193077.00 | 4884590.38 | - | 1562423.54 | 239913.25 | 2834582.86 | 1363387.50 | 300695.00 | 825532.00 | 1200818.00 | 10443220.00 | - | 3002785.50 | 3497878.00 | 9542000.00 | 2203329.00 | 2840657.00 | 4625965.67 | 356809.00 | 5085004.50 | 1416939.00 | 2378380.00 | - | 6736350.00 | 2592845.71 | 1933249.60 | 576385.00 | 4531709.00 | 29998.00 | 226123.67 | 2997971.38 | 3551255.11 | 3136064.62 | 588117.33 | 1467812.27 | 1447482.05 | 825935.00 | 1434926.67 | 2997907.47 | 3138579.08 | 3504026.29 | 2413522.29 | |
CALCIDIOL (M+H)+[-H2O] | 9846.50 | 4968.33 | 12789.50 | 4028.00 | 28175.00 | 16133.00 | 24728.00 | 15961.00 | - | 17260.00 | - | - | 22481.75 | - | - | - | - | - | - | - | 31017.00 | 29439.67 | - | - | - | - | - | - | - | - | 22642.00 | - | - | 22293.00 | - | - | - | 29068.00 | 16464.00 | 29661.75 | - | 8719.00 | 16003.00 | 15624.00 | 19608.00 | 27272.00 | 21767.33 | 13646.50 | 9391.00 | 24143.25 | 27828.00 | |
CARNITINE (M+H)+ | 296352.64 | 107646.50 | 331422.47 | 385203.12 | 378972.88 | 89345.44 | 157023.75 | 261994.56 | 232523.00 | 147776.53 | 96899.33 | - | 359144.86 | 154437.25 | 670070.29 | 120459.50 | 333148.00 | 8074.00 | 13347.00 | 814484.00 | 43212.00 | 219649.75 | - | 382918.00 | 251216.00 | 114295.00 | 138768.60 | 305565.00 | 167523.80 | 195667.00 | 4807.00 | 53193.00 | 76148.00 | 508441.20 | 236549.33 | - | - | 157379.60 | 123246.89 | 242410.40 | 100598.17 | 401934.33 | 475037.27 | 402735.64 | 157832.67 | 159840.29 | 496240.00 | 658530.85 | 237748.69 | 131957.56 | 165636.86 | |
CARNOSINE (M+H)+ | 4255.00 | 10083.00 | 6035.00 | 6121.75 | 8839.00 | 19882.00 | - | 7123.50 | - | 17065.50 | - | - | 10850.25 | - | 10570.00 | - | - | 2056.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 19395.00 | - | 22023.00 | - | - | - | 53112.67 | 4030.50 | 13077.33 | 9412.50 | 26991.50 | 10284.00 | 28366.00 | 13182.75 | 10522.00 | 5671.67 | 6775.00 | 6710.00 | 10659.00 | |
CARNOSINE (M+Na)+ | 91103.00 | 112111.60 | 78280.50 | 42887.67 | 53696.20 | 37321.00 | 87990.00 | 29014.60 | - | 67229.33 | 177572.50 | - | 107303.14 | 108340.00 | 38675.00 | 60415.00 | - | 39768.00 | 61449.00 | 9004.00 | - | - | - | - | - | 66989.00 | 139685.00 | - | 80423.50 | 16712.00 | - | - | 131712.00 | - | 54960.50 | - | - | 114808.00 | 141782.00 | 59595.80 | 41388.67 | 85080.75 | 99269.50 | 109653.00 | 49856.00 | 39341.50 | 44057.00 | 87732.25 | 89054.00 | 52419.25 | 96598.00 | |
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4] | 29887.50 | 39649.00 | 52083.50 | - | 30518.75 | 45833.00 | 17955.00 | 84219.00 | 14495.00 | 48374.17 | 83989.00 | - | 44061.67 | 54891.00 | - | - | - | - | - | 63797.00 | - | - | - | 91296.00 | 32216.00 | 73516.00 | 16004.00 | - | 46320.00 | 9059.00 | - | - | - | 45416.67 | 38022.00 | - | - | - | 33429.40 | 19756.60 | - | 58854.50 | 16329.00 | 86060.00 | 37899.00 | 53358.50 | 8701.00 | 48404.00 | 132647.50 | 31556.50 | 20589.33 | |
CHOLESTEROL (M+H)+[-H2O] | 954268.27 | 796033.11 | 658324.17 | 772363.55 | 479222.47 | 787670.85 | 712846.90 | 983801.95 | 343774.00 | 779363.18 | 876311.23 | 527501.00 | 699980.17 | 709821.80 | 1316752.71 | 695666.25 | 649614.00 | 921086.00 | 577405.00 | 1118695.00 | 1008557.00 | 657898.75 | 591859.00 | 1009127.00 | 1237296.00 | 840043.00 | 978750.83 | 306773.00 | 1076628.80 | 406729.00 | 384544.00 | 1035599.00 | 856602.00 | 696563.91 | 758827.00 | 590323.00 | 480485.50 | 754294.29 | 750122.22 | 786839.57 | 800249.33 | 593170.44 | 548538.42 | 790870.18 | 765938.53 | 679914.59 | 636190.31 | 733535.31 | 1009111.36 | 874113.65 | 761227.33 | |
CHOLINE M+ | 81840.45 | 105634.06 | 66253.06 | 73696.64 | 40932.35 | 78812.38 | 62222.70 | 55785.53 | 66592.00 | 74050.53 | 93462.15 | 20870.00 | 44042.17 | 34770.80 | 30759.71 | 48834.00 | 71274.00 | 26197.00 | 26797.00 | 55720.00 | 120728.00 | 73278.00 | 123817.00 | 97360.00 | 40847.00 | 40402.00 | 48426.67 | 65022.00 | 35312.00 | 41843.00 | 41581.00 | 74326.00 | 28377.00 | 50279.27 | 50853.00 | 128488.00 | 45719.00 | 66548.86 | 50611.00 | 58004.86 | 63489.44 | 67355.06 | 57167.08 | 35813.40 | 40737.74 | 57130.71 | 87182.46 | 55093.25 | 79811.36 | 52817.20 | 59499.78 | |
CITRIC ACID (M+Na)+ | 382289.82 | 339016.83 | 489256.00 | 441726.27 | 386414.00 | 279965.31 | 317505.90 | 332958.17 | 360381.00 | 443757.82 | 456479.54 | 100066.00 | 443162.58 | 511482.80 | 485061.86 | 216183.25 | 584124.00 | 405548.00 | 350424.00 | 458889.00 | 158582.00 | 204992.50 | 83560.00 | 534512.00 | 397205.00 | 469643.00 | 481648.17 | 516526.00 | 568927.20 | 513670.00 | 252654.00 | 639658.00 | 524145.00 | 365273.91 | 446947.67 | 114362.00 | 116994.50 | 397503.14 | 405027.96 | 421601.57 | 336361.78 | 481657.17 | 469939.50 | 614741.91 | 421230.42 | 432632.71 | 388881.62 | 353520.31 | 391817.36 | 326019.10 | 353049.78 | |
CREATINE (M+H)+ | 1298805.33 | 233525.00 | 566685.09 | 333274.20 | 1009710.40 | 1848623.44 | 713516.50 | 568947.43 | - | 867520.25 | 663963.57 | 94931.00 | 1292735.08 | 573435.00 | 4197046.67 | 113383.00 | 5226498.00 | - | - | - | 197656.00 | 619439.75 | 123870.00 | 2266107.00 | 3751293.00 | - | 2164076.00 | 13204005.00 | - | - | - | - | - | 2174705.43 | 1056075.50 | 111633.00 | 102777.00 | 126104.00 | 808879.20 | 1281970.10 | 289782.67 | 1296098.78 | 490002.00 | 579023.50 | 701357.50 | 1606025.71 | 181513.50 | 1446820.25 | 1053354.33 | 859995.89 | 928486.67 | |
CREATININE (M+H)+ | 595939.43 | 525168.75 | 659845.70 | 848185.00 | 816034.00 | 704327.60 | 298627.00 | 361955.64 | 320469.00 | 451175.12 | 523529.33 | - | 627913.42 | 382019.67 | 822673.14 | 591413.50 | 599597.00 | 371212.00 | - | - | - | 200490.00 | - | 737383.00 | 406617.00 | - | 634208.00 | 1199322.00 | 696434.00 | - | - | 1369780.00 | - | 724119.00 | 752969.50 | - | - | 191110.50 | 454323.30 | 839439.50 | 563320.80 | 445737.67 | 521901.43 | 629175.17 | 905526.44 | 718315.30 | 841601.00 | 562191.67 | 581454.86 | 311771.89 | 658190.80 | |
CYSTATHIONINE (M+H)+ | 9227.36 | 7502.00 | 7161.62 | 5911.88 | 10724.47 | 7815.33 | 7245.50 | 9088.69 | 7996.00 | 10870.69 | 13106.78 | - | 9247.23 | 9095.00 | 10619.43 | 7437.50 | 4844.00 | 4635.00 | 3738.00 | 8583.00 | 6179.00 | 4397.50 | - | 8292.00 | - | 6453.00 | 8985.75 | 7169.00 | 10586.00 | 4749.00 | 7184.00 | 11401.00 | 10221.00 | 9628.22 | 11359.40 | - | - | 10725.83 | 12739.63 | 8443.06 | 10567.00 | 8871.47 | 8112.55 | 8549.00 | 9231.43 | 9032.87 | 7003.82 | 9621.42 | 9210.54 | 8441.93 | 7734.57 | |
CYTIDINE 5^-DIPHOSPHOCHOLINE (M+Na)+ | 18596.60 | 6076.67 | 20271.50 | 52785.33 | 9046.00 | 22246.50 | 19825.00 | 19887.86 | - | 19825.60 | 9281.00 | - | 21097.70 | - | 37976.50 | 43943.00 | - | - | - | 9155.00 | 56797.00 | 22560.50 | - | - | - | 19823.00 | 17364.50 | - | 27029.00 | 28651.00 | 33591.00 | - | - | 22549.67 | 30547.00 | - | - | 9168.00 | 29549.00 | 16017.11 | 21614.67 | 18653.20 | 20417.20 | 11614.57 | 11402.50 | 23446.75 | 21827.83 | 25001.00 | 19591.00 | 24422.60 | 15382.00 | |
DECANOYLCARNITINE (*) (M+H)+ | 435717.64 | 557676.89 | 419770.78 | 496478.00 | 748577.94 | 432874.54 | 595607.80 | 933492.16 | 1302740.00 | 532185.76 | 831854.15 | 1472417.00 | 767435.71 | 1135994.80 | 309561.86 | 436137.75 | 1113888.00 | 291742.00 | 621460.00 | 88127.00 | 647819.00 | 579906.25 | 1125622.00 | 409030.00 | 285929.00 | 247438.00 | 1500620.33 | 1401714.00 | 534159.60 | 1069103.00 | 1533451.00 | 1993688.00 | 123842.00 | 1500210.45 | 785321.00 | 610169.00 | 902826.50 | 135496.29 | 366460.83 | 811311.10 | 538554.89 | 1567812.89 | 1126977.75 | 625080.45 | 776892.58 | 1008046.06 | 967902.85 | 649697.00 | 630476.86 | 483730.15 | 573547.67 | |
DECENOYLCARNITINE (*) (M+H)+ | 122565.36 | 164481.67 | 131489.67 | 172741.91 | 241346.76 | 183833.23 | 157766.10 | 282784.68 | 472537.00 | 154931.88 | 163248.00 | 859553.00 | 400980.54 | 473332.80 | 169663.14 | 141158.50 | 658399.00 | 50140.00 | 210110.00 | 144735.00 | 504638.00 | 303862.50 | 744789.00 | 521372.00 | 201962.00 | 308554.00 | 906187.67 | 746732.00 | 364030.00 | 423497.00 | 814405.00 | 1111948.00 | 47987.00 | 646485.82 | 291972.83 | 750006.00 | 751779.00 | 48729.50 | 44495.17 | 461292.57 | 255703.78 | 421154.06 | 333713.58 | 124223.91 | 133424.94 | 416370.41 | 395914.77 | 176611.69 | 159532.29 | 271613.00 | 273126.11 | |
DODECENOYLCARNITINE (*) II M+ | 137821.80 | 238848.94 | 119073.65 | 98597.18 | 411330.50 | 136902.17 | 140919.00 | 236011.68 | 368348.00 | 197058.47 | 246244.15 | 131792.00 | 336676.50 | 181064.80 | 59783.43 | 156657.50 | 848127.00 | 27161.00 | 189893.00 | 65278.00 | 103966.00 | 166460.75 | 344565.00 | 48790.00 | 32861.00 | 37009.00 | 456803.50 | 462599.00 | 123430.60 | 328077.00 | 472080.00 | 465811.00 | 8116.00 | 467759.82 | 109958.00 | 292577.00 | 317844.50 | 46070.33 | 48228.94 | 405588.95 | 138077.67 | 532786.11 | 543937.67 | 203166.20 | 327378.28 | 317118.29 | 203412.33 | 190981.56 | 125256.21 | 235082.00 | 144122.44 | |
DODECENOYLCARNITINE (*) M+ | 87063.50 | 55256.60 | 29846.67 | 42819.00 | 54161.00 | 46002.50 | 48629.83 | 47774.70 | 83563.00 | 34311.60 | 66801.12 | 110521.00 | 118638.50 | 125345.67 | 45849.50 | 21438.67 | 218497.00 | - | 43765.00 | - | - | - | 130377.00 | 32423.00 | 39171.00 | 23735.00 | 154291.33 | 149107.00 | 46912.75 | 29927.00 | - | 160616.00 | - | 131929.17 | 49050.75 | 83688.00 | 114104.50 | 64766.00 | 33844.00 | 103764.36 | 27722.50 | 118027.67 | 96802.29 | 39992.00 | 70549.86 | 103648.00 | 66221.29 | 58252.78 | 26321.00 | 76074.33 | 63216.57 | |
DUMP (M+H)+ | 9208.33 | 7994.00 | 11174.20 | 26882.00 | 10118.00 | 6903.60 | 9830.33 | 10400.83 | - | 8775.00 | - | - | 6565.00 | 4878.00 | 13938.00 | 10651.00 | - | - | - | - | 7610.00 | 5044.75 | - | - | - | - | - | - | - | - | - | - | - | 8447.50 | 4965.00 | - | - | 8505.00 | 5754.67 | 5123.20 | 8575.00 | 5550.67 | 9304.33 | 8892.67 | 7536.60 | 10008.33 | 8477.25 | 7995.33 | 7192.33 | 5003.00 | 6318.50 | |
EICOSANOYLCARNITINE (*) (M+H)+ | 22015.57 | 21355.75 | 24361.43 | 25225.83 | 36762.56 | 17872.00 | 28896.38 | 26151.18 | 104741.00 | 26845.91 | 37085.73 | 36340.00 | 33838.12 | 47132.75 | 26996.33 | 11489.50 | 43896.00 | - | - | 31637.00 | 14912.00 | 19375.67 | 27094.00 | 42358.00 | 9973.00 | 45339.00 | 48042.33 | 48274.00 | 21885.40 | 57115.00 | 52119.00 | 47298.00 | - | 42417.56 | 39434.00 | 11777.00 | 21071.00 | 22424.67 | 24187.60 | 37924.78 | 19601.67 | 56158.86 | 59648.71 | 27110.43 | 21451.46 | 34173.91 | 45205.00 | 41574.40 | 36244.10 | 32746.79 | 34350.71 | |
EICOSATRIENOYLCARNITINE (*) M+ | 33783.00 | 60411.90 | 37068.20 | 43220.00 | 94324.70 | 27748.60 | 40965.33 | 47820.36 | 64427.00 | 60345.00 | 59388.64 | 56020.00 | 46875.76 | 85341.50 | 30016.17 | 57380.75 | 116143.00 | 23033.00 | 75849.00 | - | - | 50811.00 | 50146.00 | 21164.00 | 6014.00 | - | 42131.00 | 60941.00 | 53800.00 | - | - | 47840.00 | - | 58873.12 | 50055.17 | 63658.00 | 64426.50 | 25616.50 | 49001.83 | 47710.56 | 49048.56 | 90158.67 | 110911.56 | 40914.40 | 55056.27 | 61412.64 | 50094.17 | 52031.46 | 36581.57 | 36321.09 | 48611.43 | |
EICOSENOYLCARNITINE (*) (M+H)+ | 105224.33 | 103995.44 | 65687.64 | 83507.80 | 112468.50 | 47155.43 | 77192.00 | 68686.22 | 207729.00 | 89234.80 | 106680.18 | 75542.00 | 81028.58 | 95901.25 | 79115.00 | 50608.50 | 244870.00 | - | - | - | - | - | 101065.00 | 70452.00 | - | 59837.00 | 99666.40 | 167855.00 | 32605.00 | 142179.00 | - | 79511.00 | - | 119144.67 | 88238.00 | 44397.00 | 45879.00 | 37061.50 | 43369.00 | 95457.85 | 54229.00 | 189299.00 | 259641.40 | 84055.80 | 101646.67 | 108570.90 | 149184.29 | 86099.38 | 96123.75 | 87100.40 | 61821.83 | |
ELAIDIC ACID (M+H)+ | 123578.00 | 177562.43 | 206959.62 | 144661.40 | 341768.64 | 142182.00 | 125825.11 | 239881.93 | 360278.00 | 257391.27 | 257957.36 | 136871.00 | 241613.25 | 363246.75 | 258211.00 | 175960.33 | 509997.00 | 104051.00 | 320239.00 | 44164.00 | 41047.00 | 161159.67 | 251753.00 | 85006.00 | 47397.00 | 139215.00 | 400751.83 | 305261.00 | 316726.00 | 497020.00 | 170388.00 | 659599.00 | 94135.00 | 319871.62 | 189340.50 | 325714.00 | 200811.00 | 139299.67 | 141802.50 | 280011.45 | 95606.00 | 381400.80 | 381608.11 | 274737.11 | 246620.29 | 351134.47 | 258264.45 | 194051.85 | 179754.54 | 203997.41 | 147641.25 | |
ELAIDIC ACID (M+Na)+ | 57551.50 | 53721.00 | 58917.00 | 64691.00 | 19274.00 | 42994.00 | 49283.50 | 55978.00 | - | 73357.25 | - | - | 29746.25 | - | - | - | - | - | - | - | - | 70547.50 | - | - | - | - | - | - | - | - | 70728.00 | - | - | 66085.00 | - | - | - | 28046.00 | 21519.50 | 48951.33 | - | 4742.00 | 32755.00 | 72881.00 | 38348.00 | 44023.00 | 90228.33 | 61723.00 | 64259.00 | 48574.00 | - | |
EPIBRASSINOLIDE [ISTD] (M+H)+ | 13949990.45 | 11131284.39 | 13655481.17 | 11650832.45 | 14671422.65 | 8534264.85 | 10842672.60 | 14069586.42 | 16618785.00 | 13247053.65 | 12544419.23 | 3519503.00 | 13002224.38 | 14965688.80 | 15593992.29 | 8848033.25 | 16329501.00 | 14516933.00 | 16514780.00 | 17053860.00 | 3331806.00 | 5851262.75 | 3304966.00 | 15192552.00 | 15668000.00 | 18394340.00 | 15490940.50 | 16463329.00 | 18034722.40 | 20957674.00 | 3426587.00 | 19949128.00 | 14882290.00 | 11165583.82 | 15091313.00 | 3518978.00 | 3277074.00 | 11063226.86 | 12647503.48 | 13629063.76 | 11032066.67 | 13151147.17 | 13105016.67 | 13779622.73 | 11752804.53 | 14422590.53 | 11389653.54 | 12163977.88 | 13660414.71 | 12298840.10 | 11670361.44 | |
EPIBRASSINOLIDE [ISTD] (M+Na)+ | 2369140.82 | 2177785.56 | 2413278.00 | 2117868.00 | 2454214.12 | 2015786.62 | 2213938.30 | 2347856.58 | 2760631.00 | 2274392.71 | 2441767.08 | 1762109.00 | 2316894.17 | 2609685.20 | 2389489.43 | 1920440.25 | 2880556.00 | 1998153.00 | 2257478.00 | 2758706.00 | 1868863.00 | 1894938.50 | 1840215.00 | 2622412.00 | 2661071.00 | 2857998.00 | 2744738.17 | 2631946.00 | 2880220.60 | 3168593.00 | 1884374.00 | 3166209.00 | 2073370.00 | 2212148.73 | 2209941.50 | 1964261.00 | 1844387.00 | 2296359.86 | 2365968.43 | 2462085.95 | 1985220.67 | 2417573.17 | 2280311.50 | 2362570.64 | 2271497.42 | 2385389.53 | 2220221.46 | 2230190.06 | 2381854.29 | 2261768.20 | 2248614.78 | |
GAMMA-LINOLENIC ACID (M+Na)+ | 105866.71 | 143674.00 | 186738.00 | 124731.00 | 195728.92 | 184898.38 | 168807.57 | 189570.08 | 271215.00 | 160300.91 | 185655.55 | 88384.00 | 130431.94 | 164151.75 | 136467.50 | 217240.33 | 246429.00 | 97628.00 | 197108.00 | 35964.00 | - | - | 167942.00 | 70848.00 | 109650.00 | 47995.00 | 155654.67 | 100843.00 | 101250.20 | 96848.00 | - | 201380.00 | 57084.00 | 161156.50 | 107204.75 | 177135.00 | 121752.50 | 142311.00 | 147752.50 | 124031.12 | 105358.00 | 188706.93 | 204304.00 | 176111.29 | 214681.79 | 189866.29 | 111175.12 | 134918.18 | 129732.91 | 120710.92 | 97568.86 | |
GLUCOSE (M+Na)+ | 2835497.91 | 2530659.17 | 3295737.11 | 2422388.36 | 3432142.71 | 1701435.46 | 2181339.50 | 3417878.53 | 3056376.00 | 2196166.24 | 1243347.38 | 259891.00 | 3421432.33 | 2168487.80 | 5226755.14 | 1280639.75 | 3419897.00 | 1350571.00 | 5122804.00 | 2057088.00 | 2213482.00 | 960708.25 | 455174.00 | 4520642.00 | 10503630.00 | 3728739.00 | 6979738.33 | 2745714.00 | 6306276.40 | 492982.00 | 1348832.00 | 8720903.00 | 10374842.00 | 3474319.18 | 5043119.50 | 370175.00 | 310682.50 | 2071909.43 | 2042533.52 | 3588606.86 | 2072125.33 | 2778394.50 | 3440235.92 | 3326864.09 | 2778138.37 | 5908967.88 | 1016320.38 | 5090921.88 | 2525173.71 | 3876351.20 | 3688159.56 | |
GLUTARYLCARNITINE (*) (M+H)+ | 665396.27 | 691077.85 | 656765.65 | 510731.50 | 778009.00 | 1173259.33 | 810572.00 | 741995.65 | 344706.00 | 959607.35 | 734846.56 | - | 1466694.18 | 1506497.00 | 972589.29 | 1653191.50 | 220149.00 | 633433.00 | - | 282108.00 | 3238144.00 | 4082545.50 | - | 361405.00 | 104087.00 | 618656.00 | 277028.75 | 1096219.00 | 360951.00 | 349433.00 | 2472256.00 | 131524.00 | 113288.00 | 1769508.00 | 1970927.83 | - | - | 1215211.33 | 1433377.53 | 900551.63 | 1613611.17 | 636659.87 | 790917.45 | 701639.73 | 641767.54 | 645395.27 | 1039271.00 | 736190.54 | 826466.92 | 1489075.62 | 2002514.67 | |
GLYCEROL MYRISTATE (M+Na)+ | 14707.86 | 18720.82 | 18137.93 | 10013.00 | 21892.75 | 15413.56 | 22004.62 | 14811.00 | 17981.00 | 35256.78 | 27443.78 | - | 12593.45 | 13504.50 | 16309.80 | 7249.50 | 16046.00 | - | - | 9644.00 | - | 4921.00 | 11357.00 | 18407.00 | - | 8059.00 | 22153.00 | 9897.00 | 19003.80 | 9426.00 | - | 16674.00 | - | 17803.62 | 14449.50 | 9271.00 | 6540.00 | 21070.80 | 34871.00 | 15661.00 | 9060.00 | 14947.44 | 15536.50 | 24276.12 | 22899.27 | 14724.40 | 11871.33 | 14263.64 | 22855.00 | 12187.82 | 17260.50 | |
GLYCOCHENODEOXYCHOLIC ACID (M+H)+ | 37108.73 | 21253.64 | 29168.35 | 27105.12 | 18653.91 | 27095.62 | 30261.57 | 32744.12 | 34790.00 | 35689.47 | 36064.22 | - | 21778.85 | 18286.50 | 18093.67 | 28839.50 | 40777.00 | 12056.00 | - | 86807.00 | 9616.00 | 21650.00 | - | 39597.00 | 51564.00 | 49701.00 | 33252.50 | 21931.00 | 43377.80 | 64791.00 | - | 31741.00 | 7354.00 | 26419.00 | 18967.17 | - | - | 21766.17 | 38949.61 | 33521.89 | 17860.40 | 21409.67 | 25661.67 | 36535.78 | 20594.79 | 29211.45 | 38255.70 | 34420.15 | 35633.08 | 31434.17 | 27427.71 | |
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O] | 1527207.36 | 727995.33 | 1147618.00 | 991180.18 | 587298.76 | 709699.08 | 734991.70 | 1316294.11 | 1277368.00 | 1405292.06 | 1284741.67 | 662301.00 | 851025.71 | 640295.40 | 1038200.86 | 992934.50 | 1553109.00 | 757863.00 | 63835.00 | 3494396.00 | 197214.00 | 563670.00 | 291149.00 | 740665.00 | 2220202.00 | 2028370.00 | 986725.83 | 876148.00 | 1843844.40 | 2613249.00 | 8448.00 | 1059802.00 | 379096.00 | 1135816.40 | 846349.67 | 934130.00 | 258855.00 | 688966.43 | 1397799.43 | 1170603.90 | 743842.11 | 567203.00 | 993253.73 | 1128999.73 | 727801.39 | 927351.06 | 1257810.62 | 1265698.25 | 1278883.07 | 1211978.95 | 1025843.89 | |
GLYCOCHENODEOXYCHOLIC ACID (M+Na)+ | 368775.09 | 193728.39 | 290320.72 | 249017.18 | 145253.62 | 220133.00 | 247498.30 | 301970.95 | 286930.00 | 351382.35 | 352460.67 | 478407.00 | 252403.46 | 140108.60 | 233563.14 | 325570.33 | 363004.00 | 150095.00 | - | 786294.00 | 97754.00 | 217616.25 | 178980.00 | 442406.00 | 470878.00 | 407815.00 | 225419.00 | 203741.00 | 421615.00 | 580685.00 | 7494.00 | 213129.00 | 103530.00 | 243075.36 | 185467.50 | 758760.00 | 178109.50 | 193856.71 | 410128.13 | 296377.14 | 252560.22 | 130133.61 | 234277.73 | 280055.73 | 159549.74 | 216036.25 | 349930.08 | 347693.81 | 340814.43 | 287671.10 | 277008.00 | |
GLYCOCHOLIC ACID (M+H)+[-H2O] | 45343.25 | 34269.71 | 34239.31 | 48416.00 | 35565.07 | 12704.43 | 63717.57 | 25936.55 | 36350.00 | 29731.07 | 26170.62 | - | 65072.24 | 26871.75 | 55968.86 | 15750.50 | 35286.00 | 25674.00 | - | 73287.00 | 15619.00 | 18414.50 | - | 80104.00 | 36333.00 | - | 69305.25 | 47535.00 | 74826.00 | 65217.00 | 3521.00 | 23264.00 | 59186.00 | 53879.43 | 40324.00 | - | - | 37992.75 | 21931.42 | 43263.15 | 20046.00 | 25797.50 | 45397.83 | 55408.00 | 56264.43 | 99674.54 | 46214.00 | 30673.55 | 36390.50 | 41995.94 | 52945.83 | |
HEXANOYLCARNITINE (*) M+ | 38587.91 | 55671.72 | 47800.39 | 54999.36 | 105430.24 | 65702.38 | 121221.20 | 161803.42 | 676817.00 | 78265.24 | 82772.62 | 165213.00 | 126051.00 | 127689.20 | 44930.71 | 69922.50 | 275616.00 | 50041.00 | 79419.00 | 27579.00 | 87052.00 | 83672.25 | 193310.00 | 84531.00 | 44021.00 | 39252.00 | 206085.00 | 142589.00 | 69831.40 | 165645.00 | 242154.00 | 188600.00 | 21920.00 | 256439.36 | 88458.00 | 177622.00 | 175437.50 | 27381.29 | 57305.87 | 145043.62 | 87732.89 | 165499.44 | 125754.25 | 57719.55 | 59372.05 | 131620.71 | 112789.38 | 85600.38 | 72124.50 | 80125.15 | 82079.89 | |
HIPPURIC ACID (M+H)+ | 2180218.09 | 2045329.89 | 2647969.06 | 2293996.82 | 3476093.88 | 2733162.46 | 3288035.70 | 2760452.79 | 14125412.00 | 3957145.00 | 3228580.31 | 390678.00 | 767337.43 | 884806.20 | 1327744.43 | 1236315.00 | 1016812.00 | 1207927.00 | 606779.00 | 1055955.00 | 322196.00 | 640572.50 | 35188.00 | 2075751.00 | 1716088.00 | 1777204.00 | 1548891.33 | 389676.00 | 2642274.20 | 627184.00 | 505620.00 | 1599925.00 | 1137776.00 | 1074417.91 | 1004274.00 | 332173.00 | 631761.00 | 1175498.00 | 1672909.96 | 1179115.40 | 1570225.44 | 1429125.50 | 1145263.42 | 2067712.55 | 2010477.42 | 2282710.35 | 1665305.77 | 1674522.12 | 2025985.21 | 1159855.60 | 841712.00 | |
HIPPURIC ACID (M+Na)+ | 1180125.00 | 1251983.72 | 1571124.39 | 1275412.82 | 1776819.41 | 1783828.08 | 1731636.10 | 1609703.89 | 5918658.00 | 2091708.88 | 1845913.77 | 405128.00 | 471332.92 | 481157.00 | 673416.00 | 791554.50 | 582662.00 | 477143.00 | 246527.00 | 502493.00 | 382302.00 | 686032.75 | 532606.00 | 1042620.00 | 863207.00 | 843694.00 | 909924.67 | 204035.00 | 1257921.00 | 321337.00 | 620301.00 | 736986.00 | 448612.00 | 876380.45 | 415974.00 | 350340.00 | 489348.00 | 817016.14 | 960921.26 | 751009.30 | 748525.78 | 899625.39 | 664951.42 | 1135493.91 | 1112219.95 | 1341635.69 | 1101164.38 | 951616.25 | 1094259.93 | 798227.33 | 483853.67 | |
HOMOGENTISIC ACID (M+H)+ | 115208.43 | 95297.50 | 114546.65 | 113924.71 | 163147.88 | 89730.27 | 109211.22 | 120606.22 | 59501.00 | 135855.69 | 94187.58 | 90658.00 | 139583.54 | 147694.00 | 117599.57 | 158618.75 | 536551.00 | 58656.00 | 76186.00 | 328056.00 | 162572.00 | 118861.75 | 260032.00 | 165465.00 | 72234.00 | 180484.00 | 164295.33 | 105665.00 | 196317.40 | 146877.00 | 73047.00 | 148428.00 | 140904.00 | 134260.91 | 124412.17 | 195670.00 | 379589.00 | 79936.86 | 104280.73 | 143304.81 | 114158.33 | 114333.00 | 145429.17 | 136235.89 | 122988.18 | 167720.76 | 92986.23 | 78495.44 | 106818.22 | 100795.70 | 122235.56 | |
HOMOVANILLIC ACID (M+H)+ | 22856.80 | 11162.62 | 30731.00 | 13430.40 | 15292.86 | 12415.00 | 24156.80 | 13409.50 | 23027.00 | 22630.00 | 22818.00 | 18409.00 | 23020.30 | - | - | 4628.00 | - | 8578.00 | 11219.00 | 21611.00 | - | - | 24118.00 | 29160.00 | 38448.00 | 17824.00 | 12304.67 | - | 24777.00 | 5260.00 | - | - | 16631.00 | 25007.67 | 35394.50 | 18977.00 | 19664.00 | 5912.00 | 41283.58 | 17597.12 | 11363.80 | 15894.75 | 27958.00 | 18858.75 | 7330.00 | 11438.40 | 7257.25 | 34395.25 | 41468.25 | 16647.75 | 17328.25 | |
INDOLE-3-ACETALDEHYDE (M+H)+ | 195343.75 | 167556.00 | 33186.62 | 31605.67 | 33183.79 | 30909.71 | 9862.67 | 12336.29 | - | 25921.71 | 22950.00 | 15833.00 | 10545.67 | 9622.25 | 13804.50 | 16618.00 | - | - | 7082.00 | 22708.00 | 38146.00 | 20802.33 | 27642.00 | - | - | - | 11369.50 | - | 6110.25 | 5061.00 | 25842.00 | 28952.00 | - | 7176.75 | 34230.00 | 18449.00 | 8204.50 | 16836.00 | 24976.67 | 12643.23 | 91685.33 | 17453.42 | 17581.33 | 27944.00 | 19322.75 | 28590.64 | 34171.33 | 19409.12 | 11062.67 | 14847.31 | 21195.80 | |
ISO-BUTYRYLCARNITINE (*) (M+H)+ | 356600.82 | 349873.44 | 206169.67 | 224376.18 | 350489.71 | 326652.38 | 363479.60 | 171237.53 | 643887.00 | 342582.59 | 337415.38 | 451259.00 | 295587.79 | 217283.40 | 106928.29 | 129592.50 | 218449.00 | 169748.00 | 32622.00 | 242400.00 | 15517.00 | 149071.25 | 195010.00 | 195396.00 | 499817.00 | 173792.00 | 341685.83 | 243758.00 | 599738.00 | 156592.00 | 1075834.00 | 452239.00 | 255789.00 | 385501.45 | 192918.33 | 341213.00 | 335849.50 | 250020.71 | 341412.39 | 219465.33 | 185198.78 | 314055.89 | 142062.50 | 159625.64 | 173626.68 | 303133.18 | 293990.08 | 421269.88 | 278051.93 | 263030.90 | 222256.89 | |
ISOLEUCINE (M+H)+ | 37795889.27 | 43877425.83 | 56602122.61 | 52230683.09 | 58582516.71 | 62692134.31 | 50617682.00 | 53329586.21 | 86204944.00 | 60969427.59 | 57672898.31 | 20020356.00 | 54510806.38 | 52069775.80 | 24506479.43 | 51621986.50 | 85671984.00 | 44297332.00 | 37884396.00 | 38670516.00 | 33524124.00 | 25206036.25 | 29252128.00 | 68647824.00 | 67486432.00 | 37883144.00 | 52043922.00 | 123288288.00 | 60389922.40 | 55855788.00 | 42972340.00 | 30272846.00 | 39798124.00 | 45845021.91 | 58349898.00 | 24379778.00 | 33172408.00 | 43561976.00 | 73398817.39 | 48327955.10 | 41096757.78 | 48187306.28 | 46658239.67 | 49166167.36 | 51463510.89 | 50481265.88 | 47542070.23 | 46000491.75 | 54080763.71 | 42569700.35 | 51696450.44 | |
ISOLEUCINE (M+Na)+ | 238896.55 | 259468.17 | 187920.44 | 230448.57 | 331866.82 | 282097.31 | 222629.90 | 284330.11 | 234916.00 | 317604.24 | 310695.08 | 311283.00 | 342845.46 | 360063.40 | 191489.86 | 316688.75 | 450681.00 | 370954.00 | 305783.00 | 243502.00 | 264856.00 | 320063.75 | 388997.00 | 204644.00 | 190856.00 | 241876.00 | 335306.83 | 397165.00 | 278601.80 | 355576.00 | 427830.00 | 330883.00 | 336196.00 | 318552.91 | 373695.83 | 506478.00 | 545731.00 | 352316.86 | 474853.17 | 315967.57 | 287419.22 | 303471.72 | 333898.50 | 232724.09 | 301806.17 | 323648.06 | 260897.15 | 269462.87 | 249918.64 | 255193.45 | 320192.44 | |
ISOVALERYLCARNITINE (*) (M+H)+ | 182915.30 | 181763.82 | 143897.06 | 165905.36 | 288952.88 | 322105.00 | 350030.80 | 291784.53 | 457358.00 | 255297.35 | 349570.00 | 182571.00 | 360605.67 | 337751.00 | 112526.71 | 202452.50 | 336746.00 | 106560.00 | 52641.00 | 163205.00 | 196081.00 | 165159.50 | 322992.00 | 142269.00 | 219802.00 | 152474.00 | 231828.00 | 430226.00 | 209458.60 | 173504.00 | 437874.00 | 507038.00 | 364660.00 | 345231.18 | 228849.50 | 243626.00 | 329820.00 | 280992.86 | 435998.78 | 200602.48 | 241726.44 | 200053.06 | 259091.00 | 126091.45 | 203662.26 | 208498.12 | 236774.23 | 150312.40 | 224666.31 | 199523.55 | 213656.00 | |
KYNURENINE (M+H)+ | 1789921.36 | 1258922.06 | 1123735.17 | 1248163.45 | 1163443.82 | 1054513.38 | 1094727.00 | 1218831.26 | 2030199.00 | 1638169.18 | 1832867.62 | 524640.00 | 1093159.62 | 1150447.20 | 1245948.43 | 863694.25 | 928510.00 | 1158158.00 | 1197156.00 | 1358643.00 | 916504.00 | 881485.75 | 489508.00 | 2108081.00 | 1464779.00 | 1462448.00 | 1572781.17 | 1586047.00 | 1724404.00 | 1639744.00 | 824503.00 | 1481392.00 | 2699135.00 | 1354877.36 | 1116638.17 | 1023695.00 | 526489.50 | 1299436.14 | 1635765.39 | 1087437.67 | 959268.00 | 1342651.50 | 1304384.42 | 1425497.09 | 1358152.84 | 1355609.47 | 1127542.08 | 1246762.69 | 1715529.36 | 1104837.65 | 1016807.89 | |
KYNURENINE (M+Na)+ | - | 110447.33 | 107147.00 | 89523.00 | 46016.00 | 79268.00 | 60723.50 | 56091.00 | - | - | 118821.50 | 35930.00 | 100731.50 | 73972.00 | - | 70933.50 | - | - | - | - | - | - | 42320.00 | - | - | - | 63609.00 | - | - | - | - | - | - | 134832.00 | - | 75578.00 | 57377.50 | - | 107884.75 | 38980.00 | 96518.67 | 69620.33 | 76593.00 | - | 90705.00 | 71275.00 | 56984.00 | 112654.67 | 69754.00 | - | 53123.00 | |
L-ARGININE (M+H)+ | 15667.64 | 10677.07 | 12574.88 | 12436.62 | 8698.38 | 11256.56 | 10343.00 | 9193.50 | 18227.00 | 8928.00 | 12049.88 | - | 9219.05 | 10999.75 | 11662.67 | 17212.50 | 4840.00 | 17483.00 | 12567.00 | 20075.00 | 4375.00 | 8683.50 | - | - | - | 25761.00 | 11860.50 | 28301.00 | 11206.40 | 16010.00 | 2146.00 | 7114.00 | 4446.00 | 9519.40 | 12275.67 | - | - | 8833.33 | 11074.67 | 12691.58 | 10321.67 | 12754.93 | 8498.89 | 9430.80 | 8376.00 | 9808.42 | 11769.40 | 11675.69 | 18134.69 | 9298.07 | 13835.14 | |
L-ARGININE (M+Na)+ | 9244.25 | 6866.00 | 7048.73 | 7630.50 | 7889.43 | 7828.00 | 6852.71 | 8420.45 | 8330.00 | 10657.08 | 11814.29 | - | 6278.31 | 6801.50 | 5918.50 | 6773.00 | - | - | 3675.00 | - | 3802.00 | 2658.50 | - | 9551.00 | 4132.00 | 11164.00 | 6792.00 | 12558.00 | 6729.00 | 5444.00 | 2715.00 | 5794.00 | 4194.00 | 7293.86 | 8476.75 | - | - | 9917.60 | 9536.81 | 6766.35 | 6460.50 | 7928.70 | 6994.38 | 6705.00 | 6449.54 | 7219.33 | 7085.57 | 6038.67 | 8930.82 | 5351.00 | 8562.33 | |
LAUROYLCARNITINE (M+H)+ | 259029.33 | 311792.80 | 142295.47 | 199684.70 | 423188.33 | 168837.00 | 271513.12 | 334454.41 | 464871.00 | 298667.77 | 424470.85 | 512904.00 | 423522.20 | 511897.00 | 104881.57 | 207261.75 | 909912.00 | 102214.00 | 265464.00 | 60407.00 | - | 77284.00 | 466623.00 | 173346.00 | 139327.00 | 146244.00 | 668469.50 | 990659.00 | 231208.80 | 551284.00 | - | 721184.00 | 47999.00 | 623654.12 | 243094.00 | 395040.00 | 428723.00 | 65954.20 | 179882.95 | 434756.12 | 211734.89 | 735282.81 | 670983.30 | 172955.44 | 346169.44 | 440970.00 | 347418.80 | 261110.14 | 315146.83 | 229953.12 | 314311.62 | |
LEUCINE (M+H)+ | 35420142.09 | 40155998.89 | 53300470.67 | 47189601.09 | 52564795.12 | 58312431.38 | 47269882.20 | 49332358.63 | 80818744.00 | 57635996.94 | 53734823.38 | 17131242.00 | 51828930.12 | 51441171.20 | 21537564.43 | 48196719.50 | 80319840.00 | 38916212.00 | 35499708.00 | 36449816.00 | 33522684.00 | 24806871.25 | 24520406.00 | 64358744.00 | 63269484.00 | 35939932.00 | 43989937.33 | 115580000.00 | 54298566.40 | 42775456.00 | 42970460.00 | 25935916.00 | 37291140.00 | 44826891.64 | 53751268.33 | 22318398.00 | 33137910.00 | 45480508.00 | 64967228.83 | 46746806.33 | 42693361.33 | 44791894.28 | 44027807.00 | 46962761.91 | 47874300.16 | 47831237.82 | 43847510.15 | 41724792.81 | 50660392.79 | 38991064.55 | 45406983.22 | |
LEUCINE (M+Na)+ | 240360.55 | 258946.33 | 187750.33 | 230614.57 | 332401.12 | 282410.54 | 223283.40 | 284177.63 | 235162.00 | 317190.06 | 310185.62 | 311730.00 | 342918.33 | 361022.80 | 191724.57 | 317091.00 | 451147.00 | 371359.00 | 306143.00 | 238603.00 | 265521.00 | 320337.00 | 389425.00 | 204856.00 | 191057.00 | 249986.00 | 337162.50 | 397663.00 | 282827.20 | 359360.00 | 428911.00 | 331320.00 | 336616.00 | 319013.45 | 374131.67 | 507214.00 | 546383.00 | 351970.71 | 474730.83 | 315576.43 | 287697.33 | 304711.72 | 335023.42 | 234178.27 | 301969.89 | 324777.88 | 260340.92 | 269335.53 | 250262.57 | 254563.35 | 319541.33 | |
LINOLEOYLCARNITINE (*) (M+H)+ | 605870.56 | 638716.20 | 737161.07 | 673363.40 | 1188236.73 | 611679.10 | 513377.38 | 670959.18 | 1186705.00 | 691029.85 | 1111942.69 | 805957.00 | 1284281.35 | 1328182.40 | 850690.86 | 656705.00 | 7443727.00 | 206055.00 | 913193.00 | 2620642.00 | - | 441075.00 | 1247779.00 | 1181729.00 | 555109.00 | 3723505.00 | 2470718.00 | 2409849.00 | 2069404.00 | 3097677.00 | - | 2583455.00 | 261884.00 | 1359590.62 | 821273.67 | 2275471.00 | 1411885.00 | 860492.40 | 366066.33 | 1861179.00 | 861382.67 | 1373058.69 | 1994859.40 | 500121.56 | 661815.31 | 1498063.75 | 1823049.60 | 664579.36 | 692657.33 | 1004181.19 | 1419397.50 | |
LL-2,6-DIAMINOHEPTANEDIOIC ACID (M+H)+[-H2O] | 32886.43 | 31230.38 | 28969.21 | 25789.75 | 47254.38 | 21038.33 | 23538.86 | 24091.17 | 16006.00 | 29938.29 | 14467.14 | 39300.00 | 63642.59 | 70512.00 | 74268.33 | 41465.33 | 117905.00 | - | - | 98294.00 | 31267.00 | 53079.25 | 47833.00 | 83992.00 | 123036.00 | 73857.00 | 65536.67 | 121919.00 | 74441.67 | 95914.00 | 16441.00 | - | - | 49801.78 | 67724.67 | 30183.00 | 27880.00 | 22891.67 | 21139.44 | 78577.57 | 34179.80 | 27121.88 | 18370.75 | 50036.43 | 29116.89 | 57896.78 | 43497.80 | 16799.00 | 27294.00 | 65420.54 | 58775.43 | |
L-METHIONINE SULFOXIMINE (M+Na)+ | 602501.60 | 247142.00 | 906885.38 | 460444.00 | 326723.67 | 885506.67 | 556917.00 | 418617.29 | 477255.00 | 538137.71 | 351085.83 | - | 354710.78 | 234953.00 | 999222.00 | - | - | - | - | 854988.00 | - | - | - | 844335.00 | - | - | 867591.50 | 514766.00 | 439255.60 | 272523.00 | - | 284807.00 | - | 517268.33 | - | - | - | 276788.33 | 463753.25 | 642558.27 | - | 501221.25 | 746214.50 | 567864.17 | 493276.20 | 377832.25 | 458491.25 | 383100.40 | 661517.83 | 417532.40 | 605888.25 | |
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ | 6877363.27 | 6315359.78 | 7470231.72 | 6825227.18 | 7273151.59 | 5554944.15 | 6467936.60 | 6918419.74 | 7857422.00 | 7080494.24 | 6503018.92 | 5415414.00 | 6557174.83 | 6857037.40 | 6785949.86 | 5192285.50 | 7695005.00 | 7596643.00 | 8529041.00 | 9829956.00 | 4475237.00 | 4316826.25 | 4691749.00 | 7920616.00 | 8024735.00 | 9176313.00 | 8576691.00 | 7487982.00 | 8889194.80 | 9589556.00 | 4657129.00 | 9013871.00 | 8071067.00 | 5907061.27 | 6731106.83 | 5024128.00 | 4637325.50 | 6178890.43 | 6425346.04 | 7631154.29 | 5616710.33 | 6779388.22 | 6296047.83 | 7107711.55 | 6688205.84 | 7237556.18 | 6350753.46 | 6500174.25 | 7272242.71 | 6672395.70 | 6429478.56 | |
LYSINE (M+H)+ | 60548.18 | 53121.11 | 45445.61 | 52751.00 | 67327.47 | 55806.85 | 58476.60 | 61702.05 | 135679.00 | 68210.88 | 76307.15 | 16634.00 | 69193.25 | 84132.00 | 57028.14 | 48859.50 | 94319.00 | 128149.00 | 83808.00 | 70129.00 | 17428.00 | 32071.75 | 21340.00 | 88521.00 | 57778.00 | 126347.00 | 76769.00 | 166494.00 | 69577.80 | 108517.00 | 30105.00 | 72959.00 | 115990.00 | 65176.18 | 102969.67 | 26135.00 | 23361.50 | 47116.00 | 79999.26 | 66504.90 | 65209.33 | 70385.50 | 75986.08 | 47985.00 | 44113.58 | 70995.41 | 67088.17 | 57238.38 | 70506.36 | 57797.60 | 73972.11 | |
LYSINE (M+Na)+ | 9220.18 | 8594.25 | 7195.62 | 9456.75 | 10901.31 | 9412.75 | 11150.62 | 9930.38 | 19424.00 | 10751.69 | 14440.11 | - | 11276.00 | 14126.50 | 9116.60 | 12820.00 | 14082.00 | 18759.00 | 11420.00 | 8021.00 | 3458.00 | 6759.67 | - | - | 9093.00 | 18083.00 | 13361.80 | 27994.00 | 10752.60 | - | 5891.00 | 11342.00 | 16549.00 | 10075.25 | 15727.50 | - | - | 7671.50 | 13723.74 | 10345.28 | 13398.00 | 12440.73 | 12493.09 | 7581.75 | 7949.43 | 11976.93 | 10861.09 | 9724.31 | 11097.64 | 10461.56 | 14573.57 | |
METHIONINE (M+H)+ | 2868448.64 | 2274380.89 | 1844914.89 | 2298399.73 | 2705456.00 | 2226022.62 | 2127256.00 | 2768244.84 | 3135804.00 | 2819051.35 | 2955160.46 | 816598.00 | 2474054.50 | 2542363.80 | 1794635.86 | 1716490.25 | 2782851.00 | 2426821.00 | 3508489.00 | 1669939.00 | 1051896.00 | 1359733.75 | 818391.00 | 2411453.00 | 1770262.00 | 3326829.00 | 2151842.17 | 4900680.00 | 2763922.20 | 3557130.00 | 983003.00 | 2807045.00 | 3138703.00 | 2219406.64 | 2874112.33 | 869524.00 | 950511.50 | 1907179.43 | 3755857.26 | 2091646.24 | 1777201.22 | 2871804.44 | 2651224.67 | 2278652.00 | 2138438.74 | 2628337.88 | 2438063.77 | 2211447.00 | 3249149.50 | 1830928.90 | 2527896.22 | |
METHYL BETA-D-GALACTOSIDE (M+Na)+ | 110684.00 | 134258.67 | 40476.00 | 66800.33 | 72276.00 | 181572.00 | - | 88788.25 | - | 38797.75 | - | - | 401842.00 | - | 191467.00 | - | - | 439826.00 | 456701.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 596034.00 | - | 382097.00 | - | - | - | 72630.50 | 457622.00 | 386112.00 | 38605.00 | 44975.00 | 52013.00 | 89589.00 | 56683.00 | 199890.00 | 18341.00 | 40342.50 | 286683.00 | 457305.00 | |
METHYL JASMONATE (M+Na)+ | 29948.00 | 31307.81 | 30568.88 | 18751.00 | 28355.53 | 26397.36 | 33900.67 | 24056.80 | 22878.00 | 31290.43 | 30057.91 | 28603.00 | 30460.45 | 29904.75 | 17461.50 | 20404.67 | 31236.00 | 5356.00 | 5469.00 | 70688.00 | 40349.00 | 47089.33 | 32907.00 | 19264.00 | 31449.00 | 28460.00 | 38367.00 | 20649.00 | 33901.60 | 35859.00 | 21541.00 | 23939.00 | 4372.00 | 70519.89 | 9712.00 | 26885.00 | 32604.00 | 23701.50 | 26609.15 | 25072.80 | 42762.60 | 24383.19 | 22775.22 | 36846.22 | 30210.38 | 27032.20 | 35979.00 | 27113.75 | 28241.23 | 30155.41 | 33876.75 | |
MYRISTOYLCARNITINE (*) (M+H)+ | 96927.36 | 125575.44 | 77920.33 | 79862.27 | 235631.81 | 105071.69 | 131246.50 | 132516.61 | 321187.00 | 168401.06 | 233878.38 | 192679.00 | 214678.70 | 262361.80 | 100319.29 | 152782.75 | 806887.00 | 82077.00 | 222943.00 | 66381.00 | 133634.00 | 249332.25 | 246887.00 | 93730.00 | 101291.00 | 111567.00 | 302902.67 | 441701.00 | 128864.80 | 391816.00 | 486112.00 | 238481.00 | 25777.00 | 273809.27 | 106880.50 | 200450.00 | 174954.00 | 73227.50 | 176383.62 | 242088.81 | 107770.67 | 293768.53 | 357523.75 | 137651.64 | 144898.47 | 193162.29 | 177901.92 | 145508.81 | 132013.46 | 131257.05 | 144281.56 | |
N6,N6,N6-TRIMETHYL-L-LYSINE (M+H)+ | 2505.00 | 3091.33 | 3993.00 | 2248.00 | 4722.00 | 4161.33 | 3219.00 | 5030.50 | 10098.00 | 4552.40 | 5365.67 | - | 3306.40 | 4806.00 | - | - | 2795.00 | - | - | 14665.00 | - | - | - | 6680.00 | 3778.00 | 5400.00 | 7489.33 | 4764.00 | 4052.00 | 3778.00 | - | - | - | 7530.00 | 5338.00 | - | - | 3297.00 | 4617.80 | 4835.88 | - | 2246.67 | 4024.00 | 3750.33 | 8555.25 | 3019.75 | 3874.00 | - | 3759.33 | 4874.00 | 5866.00 | |
N-ACETYL-DL-METHIONINE (M+Na)+ | 25683.00 | 15063.67 | 21190.00 | 17595.50 | 17210.33 | 2619.00 | 12969.00 | 12802.40 | - | 17360.00 | 22907.80 | - | 12892.40 | 19085.33 | 15875.50 | - | - | - | - | - | - | - | - | - | - | - | 39155.00 | - | 22016.00 | - | - | 29734.00 | - | 34300.00 | - | - | - | 17513.33 | 11876.00 | 26949.00 | 9278.50 | 20104.50 | 20689.00 | 22123.00 | 17099.50 | 22457.75 | 12667.00 | 19763.00 | 28727.00 | 18021.00 | 34877.00 | |
N-ACETYL-DL-SERINE (M+H)+[-H2O] | 135500.43 | 119024.62 | 130820.62 | 150607.29 | 156229.75 | 63577.40 | 68167.75 | 101195.70 | - | 147711.15 | 145618.67 | - | 188210.07 | 156018.00 | 170319.75 | 145451.00 | - | 100436.00 | 169709.00 | 190767.00 | 54933.00 | 79670.50 | - | - | - | 151601.00 | 262259.00 | - | 148298.67 | 158851.00 | 65354.00 | - | 27341.00 | 127870.80 | 107319.60 | - | - | 171750.25 | 136622.62 | 128976.45 | 230799.80 | 86443.78 | 110565.50 | 154474.12 | 129257.11 | 118385.00 | 235179.14 | 141927.11 | 109621.75 | 153231.31 | 127087.33 | |
N-ACETYLNEURAMINIC ACID (M+H)+ | 6576.67 | 5575.30 | 6274.78 | 4230.00 | 5941.30 | 6475.60 | 2952.00 | 4646.89 | - | 5862.60 | 7522.75 | - | 11304.33 | 16083.50 | 15344.33 | 23709.00 | - | 4755.00 | - | 2793.00 | 13453.00 | 17360.00 | - | - | - | 2920.00 | 4448.00 | - | 3855.67 | - | 9657.00 | - | - | 19627.40 | 13013.25 | - | - | 6176.75 | 6315.80 | 9253.25 | 14316.00 | 5753.33 | 6913.14 | 6560.29 | 6331.29 | 6231.38 | 5887.38 | 6364.89 | 6356.38 | 12344.40 | 17338.25 | |
N-CYCLOHEXYLFORMAMIDE (M+H)+ | 45928.56 | 40740.12 | 42011.81 | 40045.90 | 46047.80 | 36476.73 | 45900.89 | 51474.67 | 35501.00 | 40278.27 | 48485.82 | 46116.00 | 41576.40 | 47762.75 | 50442.25 | 47206.00 | 54441.00 | 36980.00 | 39725.00 | 41968.00 | 38384.00 | 35599.67 | 38223.00 | 36499.00 | 42985.00 | 36890.00 | 59188.00 | 47865.00 | 48364.00 | 35691.00 | 33520.00 | 78130.00 | 49620.00 | 41549.44 | 37885.25 | 61132.00 | 58604.50 | 47316.83 | 41271.45 | 47478.15 | 42753.50 | 48726.75 | 43277.56 | 41372.11 | 39480.18 | 39515.73 | 37753.55 | 40596.08 | 49315.00 | 38966.47 | 43001.75 | |
OCTANOYLCARNITINE (*) (M+H)+ | 189798.18 | 247333.67 | 193419.94 | 231257.64 | 324015.47 | 227172.85 | 313702.40 | 447812.63 | 1045482.00 | 242631.59 | 342126.46 | 740591.00 | 361573.46 | 499167.00 | 155573.71 | 204366.00 | 514844.00 | 144105.00 | 303817.00 | 56250.00 | 377712.00 | 300137.75 | 541170.00 | 270546.00 | 142085.00 | 129444.00 | 685083.33 | 634074.00 | 241676.40 | 452783.00 | 803777.00 | 854618.00 | 63658.00 | 793803.64 | 385910.50 | 349917.00 | 537029.50 | 66113.71 | 153826.61 | 407374.95 | 280392.89 | 675475.22 | 494007.58 | 280843.70 | 294741.83 | 462895.71 | 469461.54 | 292399.25 | 268372.71 | 238840.35 | 276166.56 | |
OCTENOYLCARNITINE (*) M+ | 12439.44 | 23166.19 | 7628.27 | 2672.25 | 5382.00 | 6354.00 | 8236.57 | 14766.07 | 40982.00 | 53340.24 | 70079.69 | 292839.00 | 164806.21 | 139809.20 | 134371.00 | 59615.00 | 264946.00 | 32286.00 | 51881.00 | 106592.00 | 498617.00 | 306258.00 | 155095.00 | 153765.00 | 129615.00 | 449176.00 | 224440.00 | 227116.00 | 162942.60 | 239852.00 | 751360.00 | 193318.00 | 19974.00 | 367914.91 | 81829.17 | 846537.00 | 189495.00 | 1230.00 | 7333.31 | 185901.10 | 93581.11 | 13073.61 | 8397.11 | 7693.11 | 5924.21 | 21043.53 | 14966.40 | 15493.53 | 18746.36 | 129726.10 | 129276.89 | |
OLEAMIDE (M+H)+ | 147175.36 | 214792.78 | 129265.29 | 127007.22 | 920110.94 | 442688.54 | 440093.90 | 1345078.95 | 191913.00 | 157302.06 | 228560.38 | 4001059.00 | 1794880.75 | 772480.00 | 176380.29 | 60782.00 | 95649.00 | 45198.00 | 61741.00 | 1267732.00 | 50532.00 | 114763.75 | 1814903.00 | 395962.00 | - | 1725315.00 | 5503893.50 | 553084.00 | 490579.80 | 3036802.00 | 837921.00 | 280704.00 | 133086.00 | 1872780.00 | 1177324.33 | 368898.00 | 200380.50 | 91273.14 | 145711.24 | 1594645.14 | 651609.67 | 217591.38 | 75025.33 | 181676.00 | 117192.61 | 619955.53 | 455889.92 | 102308.07 | 124786.08 | 1270731.60 | 2295117.89 | |
OLEAMIDE (M+Na)+ | 198940.33 | 187140.13 | 86740.42 | 93468.00 | 627077.06 | 405058.23 | 357298.75 | 1396218.75 | 130272.00 | 122467.77 | 203696.45 | 4702740.00 | 1387182.61 | 1132403.00 | 133494.00 | 38412.25 | - | 14385.00 | 24190.00 | 609589.00 | 55368.00 | 73227.25 | 3195084.00 | 261891.00 | - | 784225.00 | 5005865.40 | 329358.00 | 413023.33 | 1657269.00 | 648235.00 | 165971.00 | - | 1540930.73 | 875929.50 | 430923.00 | 261930.00 | 147917.50 | 115829.77 | 1402467.35 | 506607.88 | 165404.92 | 35119.62 | 131927.57 | 96636.00 | 431473.24 | 260321.77 | 88821.11 | 217329.67 | 1027958.05 | 1717401.00 | |
OLEIC ACID (M+H)+ | 59163.11 | 55060.21 | 57593.00 | 54603.82 | 53279.69 | 38313.20 | 51334.50 | 66451.00 | - | 58904.50 | 64854.00 | - | 49805.07 | 64080.00 | 86436.86 | 39900.50 | - | 56589.00 | 64134.00 | 33287.00 | 40015.00 | 30294.00 | - | - | - | 44367.00 | 48498.80 | - | 67098.50 | 56828.00 | 17837.00 | 51641.00 | 100250.00 | 62744.25 | 53417.00 | - | - | 56553.83 | 57513.56 | 54436.53 | 49130.57 | 61660.15 | 39675.60 | 57731.22 | 56841.53 | 51217.17 | 42634.82 | 54939.14 | 56859.67 | 53084.12 | 51120.50 | |
OLEIC ACID (M+Na)+ | 65513.67 | 101150.00 | 151982.50 | 73406.60 | 152562.60 | 64552.80 | 133660.20 | 125540.83 | 37844.00 | 94245.17 | 94670.89 | 38452.00 | 77984.00 | 81937.00 | 116848.40 | 46773.33 | 119040.00 | - | - | - | - | 11789.00 | 87248.00 | 118591.00 | 212489.00 | - | 135154.67 | - | 156211.00 | - | - | 111118.00 | - | 154954.29 | 31546.00 | 64912.00 | 54543.00 | 51839.50 | 132189.50 | 109635.56 | 70653.67 | 85462.33 | 65275.14 | 126983.50 | 119893.50 | 110842.38 | 43490.20 | 78055.00 | 155254.20 | 81774.50 | 71187.50 | |
OLEOYLCARNITINE (*) (M+H)+ | 616201.09 | 837386.72 | 1266150.78 | 1016161.55 | 2051366.94 | 831191.69 | 1279712.60 | 1318119.26 | 3371306.00 | 1479226.88 | 2470197.23 | 1112601.00 | 1639134.67 | 2177952.20 | 1048925.71 | 1451574.00 | 7599800.00 | 272033.00 | 1802015.00 | 942498.00 | 545777.00 | 1451838.00 | 2335195.00 | 911446.00 | 406234.00 | 1844699.00 | 2376995.33 | 3842566.00 | 1521595.80 | 5513533.00 | 3630890.00 | 2821412.00 | 84226.00 | 2466643.82 | 993703.33 | 1777321.00 | 1509854.50 | 918029.14 | 911924.74 | 2172507.95 | 914699.67 | 3366579.44 | 3932619.67 | 1350483.55 | 1778639.37 | 2084752.59 | 2439492.85 | 1384420.94 | 1452371.57 | 1416587.45 | 1263624.33 | |
OLEOYL-GLYCEROL (M+Na)+ | 179269.73 | 185176.71 | 426529.89 | 249283.45 | 295195.82 | 296823.08 | 451562.10 | 285936.78 | 588678.00 | 573558.00 | 404113.54 | 128497.00 | 198548.92 | 267359.80 | 160507.86 | 358303.25 | 378897.00 | 83453.00 | 225063.00 | 79837.00 | 75345.00 | 159878.25 | 279036.00 | 319632.00 | 177550.00 | 85246.00 | 222000.17 | 238986.00 | 192435.00 | 256821.00 | 402281.00 | 482225.00 | 18898.00 | 361477.55 | 196634.83 | 628354.00 | 150444.00 | 367201.29 | 339099.70 | 186846.57 | 224111.11 | 343228.50 | 264761.17 | 292111.00 | 437225.05 | 297764.88 | 272442.54 | 234696.31 | 255243.07 | 149355.90 | 170145.67 | |
ORNITHINE (M+H)+ | 16230.18 | 16523.72 | 12073.72 | 15323.45 | 17416.76 | 16612.69 | 15188.44 | 15146.42 | 19895.00 | 16224.50 | 17344.92 | 3279.00 | 15293.21 | 21060.00 | 13399.00 | 11412.75 | 27573.00 | 31824.00 | 21082.00 | 18033.00 | 6035.00 | 8869.25 | 4044.00 | 18074.00 | 12932.00 | 33857.00 | 12679.33 | 22657.00 | 20205.60 | 19089.00 | 8222.00 | 9745.00 | 21072.00 | 13206.36 | 20234.83 | 8295.00 | 5345.50 | 14051.86 | 17627.13 | 16147.30 | 12109.22 | 13014.28 | 14938.67 | 9545.18 | 8994.06 | 12910.06 | 14800.69 | 15905.69 | 24141.64 | 12827.68 | 17718.56 | |
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+ | - | - | - | - | - | - | - | - | - | 30715.00 | - | - | 13572.60 | - | 18516.00 | - | - | - | - | - | - | - | - | - | - | - | 42294.00 | 4558.00 | - | - | - | 2187.00 | - | 28383.20 | 431301.00 | 9858.00 | 35616.50 | - | - | 120508.00 | 58767.00 | - | - | - | 123422.00 | 670164.00 | 439594.50 | - | 39109.00 | 98762.33 | 13431.00 | |
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+Na)+ | - | - | - | - | - | - | - | - | 538.00 | 16223.50 | - | - | 42928.67 | - | 10557.00 | 632.00 | - | - | - | - | - | - | - | - | - | - | 78292.00 | 1618.00 | - | - | - | 1473.00 | - | 59045.20 | 319424.00 | 13181.00 | 49957.50 | - | - | 177994.50 | 47893.00 | - | - | - | 69062.00 | 204961.50 | 317358.50 | - | 22350.00 | 64119.33 | 9339.00 | |
PALMITOLEYLCARNITINE (*) M+ | 212879.00 | 185877.78 | 291990.91 | 192446.80 | 613339.10 | 177295.00 | 230331.86 | 457268.89 | 910578.00 | 437247.43 | 486580.00 | 243100.00 | 505578.00 | 322245.00 | 354279.00 | 254212.50 | 661031.00 | - | - | 103324.00 | - | - | 144474.00 | 204605.00 | 137689.00 | 214674.00 | 508076.33 | 230300.00 | 226827.00 | 937423.00 | - | 545617.00 | - | 601995.33 | 361472.00 | 347920.00 | 324413.50 | 171140.67 | 152549.71 | 650776.71 | 115155.00 | 663375.67 | 746045.80 | 441979.33 | 594705.60 | 531065.80 | 493054.86 | 291758.00 | 304635.22 | 443222.10 | 252479.83 | |
PALMITOYLCARNITINE (M+H)+ | 928175.44 | 955404.47 | 1193877.20 | 1124610.80 | 2756796.47 | 771828.00 | 1395217.62 | 1367874.29 | 3905946.00 | 1409120.54 | 2236860.62 | 1473326.00 | 1832796.40 | 2141757.60 | 873655.29 | 1014069.75 | 6309443.00 | 306427.00 | 1462226.00 | 853799.00 | - | 576688.00 | 1110400.00 | 970005.00 | 431971.00 | 1630757.00 | 2306430.00 | 3923469.00 | 1414887.00 | 4828990.00 | - | 2627714.00 | 81194.00 | 2596784.12 | 1011877.67 | 1172415.00 | 1197126.00 | 1013546.60 | 1155497.90 | 2143850.76 | 814725.78 | 3023098.75 | 3228591.10 | 1359438.33 | 1667106.06 | 1975057.38 | 2356516.30 | 1478376.71 | 1500082.58 | 1402946.56 | 1120213.50 | |
PANTOTHENIC ACID (M+H)+ | 45906.91 | 54093.28 | 43293.33 | 38162.73 | 40586.71 | 39514.08 | 47050.30 | 55643.16 | 68218.00 | 53094.53 | 52540.23 | 15507.00 | 35811.54 | 34692.60 | 36046.29 | 47362.75 | 37246.00 | 69192.00 | 42233.00 | 35063.00 | 44559.00 | 36599.25 | 22662.00 | 34016.00 | 49060.00 | 39076.00 | 59197.60 | 62067.00 | 63073.80 | 41271.00 | 27151.00 | 36268.00 | 22389.00 | 62109.27 | 51028.67 | 36045.00 | 79976.00 | 43162.71 | 50929.78 | 53754.10 | 48684.11 | 49844.11 | 57476.08 | 45588.36 | 60234.37 | 58830.65 | 45515.46 | 39521.44 | 56882.93 | 42626.10 | 53318.11 | |
PANTOTHENIC ACID (M+Na)+ | 41181.73 | 55166.28 | 48522.33 | 48101.91 | 46062.65 | 40107.38 | 43340.50 | 55054.21 | 35193.00 | 51317.29 | 54994.77 | 39144.00 | 34872.88 | 33981.40 | 33551.14 | 37012.25 | 40462.00 | 69350.00 | 51181.00 | 53359.00 | 40459.00 | 38529.25 | 30446.00 | 41119.00 | 49373.00 | 40421.00 | 57072.33 | 53134.00 | 61574.60 | 92428.00 | 45281.00 | 37289.00 | 61012.00 | 41304.91 | 45838.17 | 26396.00 | 57200.00 | 38752.29 | 54114.59 | 50911.67 | 50306.00 | 40895.17 | 51928.67 | 41931.73 | 57443.79 | 59610.29 | 55258.46 | 40858.06 | 58772.43 | 47113.80 | 47434.89 | |
PHENYLALANINE (M+H)+ | 20026.91 | 31025.56 | 37598.89 | 35684.27 | 28195.71 | 41689.08 | 28436.11 | 21797.16 | 28825.00 | 37096.06 | 41446.08 | 83278.00 | 32503.43 | 41551.20 | 9010.67 | 54389.75 | 29048.00 | 6451.00 | 15262.00 | 30673.00 | 143983.00 | 57950.75 | 59038.00 | 30799.00 | 33072.00 | 24228.00 | 34887.50 | 19719.00 | 22043.40 | 17875.00 | 105661.00 | 8989.00 | 17895.00 | 46853.50 | 8864.00 | 84694.00 | 83544.50 | 42230.43 | 30170.30 | 38049.10 | 32220.50 | 23687.11 | 30182.17 | 30724.18 | 34065.21 | 29884.69 | 38805.00 | 27014.31 | 25743.14 | 38179.32 | 42497.56 | |
PIPECOLIC ACID (M+H)+ | 882394.27 | 1086497.89 | 597039.89 | 643014.45 | 1159180.94 | 930266.08 | 959664.00 | 1750729.11 | 662139.00 | 817033.76 | 980801.31 | 267681.00 | 286103.29 | 363474.20 | 645915.71 | 1531266.00 | 479936.00 | 996404.00 | 924333.00 | 268642.00 | 643362.00 | 816033.75 | 349319.00 | 923216.00 | 439597.00 | 367245.00 | 409955.50 | 466957.00 | 524584.80 | 862129.00 | 149077.00 | 282940.00 | 511403.00 | 318951.18 | 418308.40 | 1947272.00 | 445264.00 | 779928.86 | 593104.30 | 724510.62 | 397228.25 | 2446655.33 | 3739526.58 | 1248731.27 | 1332204.53 | 1131722.59 | 944935.46 | 1004371.00 | 2322712.21 | 350982.95 | 555833.89 | |
PROLINE (M+H)+ | 2584325.25 | 1086851.12 | 2448103.00 | 777472.00 | 1997878.75 | 2039685.62 | 1590200.67 | 836288.83 | 1545552.00 | 2144754.50 | 1254299.50 | 685726.00 | 1398591.00 | 907589.00 | 2632491.33 | 583702.00 | 2556927.00 | - | - | - | - | 3138206.00 | 395890.00 | 3341150.00 | 2277145.00 | - | 2028996.00 | 2528698.00 | - | - | - | - | - | 1571015.20 | 1461304.50 | 1165929.00 | 676627.50 | 1072278.50 | 1883561.70 | 2748159.17 | 988360.20 | 1255794.71 | 898932.67 | 2685613.00 | 1212311.67 | 1935224.43 | 837901.00 | 1647329.57 | 2546596.50 | 1716311.17 | 1902378.40 | |
PROLINE (M+Na)+ | 167425.50 | 168100.67 | 129088.57 | - | 73476.50 | 50280.33 | 176956.67 | 40508.00 | - | 468031.50 | 284440.50 | - | 55172.00 | - | 76383.00 | 8405.00 | 59585.00 | - | - | - | - | 68106.00 | - | 101421.00 | 58915.00 | - | 71899.00 | - | - | - | - | - | - | 57147.67 | 67860.00 | - | - | 24317.00 | 131104.75 | 95776.75 | - | 109491.00 | 44841.67 | 148434.50 | 99034.00 | 92648.00 | 39188.00 | 189934.75 | 158916.33 | 97531.67 | 67347.00 | |
PROPIONYLCARNITINE (*) (M+H)+ | 644433.18 | 590376.00 | 548306.06 | 424132.82 | 579513.88 | 547652.08 | 821466.20 | 477334.00 | 750400.00 | 697888.76 | 762279.85 | 1452119.00 | 563830.17 | 660187.60 | 445161.29 | 451205.50 | 355336.00 | 495045.00 | 295632.00 | 162829.00 | 624204.00 | 546043.25 | 435614.00 | 451023.00 | 497953.00 | 445248.00 | 650315.00 | 497098.00 | 530824.00 | 303612.00 | 717672.00 | 920834.00 | 1619066.00 | 998025.18 | 661610.83 | 273279.00 | 643610.50 | 453477.14 | 923835.43 | 582426.19 | 662565.33 | 560101.89 | 504543.83 | 398306.91 | 513420.79 | 557348.53 | 642543.62 | 675007.12 | 731891.79 | 500080.15 | 745425.56 | |
PYRIDOXAL (M+H)+[-H2O] | 2868061.55 | 2273357.56 | 1843457.06 | 2298035.00 | 2704525.76 | 2225603.08 | 2143214.80 | 2764263.79 | 3137854.00 | 2818977.41 | 2952417.85 | 816617.00 | 2472196.21 | 2541661.80 | 1792380.57 | 1714759.25 | 2786137.00 | 2426238.00 | 3508622.00 | 1669982.00 | 1062320.00 | 1358525.00 | 818411.00 | 2413214.00 | 1771141.00 | 3324960.00 | 2152681.17 | 4899301.00 | 2763328.20 | 3558692.00 | 983031.00 | 2806917.00 | 3138380.00 | 2220933.18 | 2871952.50 | 889091.00 | 950534.50 | 1886994.14 | 3761916.26 | 2089233.33 | 1773397.22 | 2870452.94 | 2647489.33 | 2278240.73 | 2129942.00 | 2627485.65 | 2435856.23 | 2209680.00 | 3248687.50 | 1831721.15 | 2526455.11 | |
PYRIDOXAMINE (M+H)+ | 9198.09 | 8620.92 | 7166.69 | 9481.88 | 11009.44 | 9484.38 | 10946.12 | 9886.00 | 19738.00 | 10675.50 | 14250.56 | - | 11229.26 | 13916.75 | 8944.60 | 13117.50 | 14194.00 | 18748.00 | 11416.00 | 8235.00 | 3492.00 | 6571.00 | - | - | 9261.00 | 17549.00 | 13370.20 | 28895.00 | 10619.20 | - | 5949.00 | 11342.00 | 16551.00 | 9993.25 | 15526.17 | - | - | 7623.50 | 13813.05 | 10362.11 | 13494.25 | 12405.60 | 12523.73 | 6970.89 | 8386.15 | 11831.47 | 10857.09 | 9702.23 | 11028.45 | 10372.69 | 14625.43 | |
SEROTONIN (M+H)+ | 465531.00 | 722492.00 | 234899.00 | 85357.00 | 1539558.80 | 1849801.50 | 1302083.00 | 1570028.95 | 4157323.00 | 1157170.67 | 1032944.09 | - | 235350.00 | 941188.33 | 770602.00 | 1370728.00 | - | 1155125.00 | 816552.00 | 1666300.00 | 420585.00 | 936758.00 | 1141997.00 | 773687.00 | 1940530.00 | 239933.00 | 600254.00 | - | - | 1395894.00 | - | - | - | 1011373.00 | 782641.33 | - | 400022.00 | 292820.50 | 875857.00 | 1319725.31 | 1156284.14 | - | - | 690873.44 | 515467.85 | 378043.00 | 1296989.50 | - | 1168618.00 | 1433269.39 | 1284576.75 | |
SEROTONIN (M+Na)+ | 7531.00 | 22592.00 | 51708.00 | - | 164985.20 | 205605.92 | 107783.30 | 152459.63 | 261836.00 | 123685.38 | 121955.80 | - | 39368.00 | 91889.00 | 68807.33 | 183270.50 | - | 132886.00 | 111942.00 | 126847.00 | 85722.00 | 153535.50 | 257089.00 | 66513.00 | 125309.00 | 22145.00 | 80101.50 | - | - | 134475.00 | - | - | - | 163843.00 | 85152.33 | - | 107125.00 | 30276.67 | 74850.00 | 136880.77 | 139931.00 | 3555.00 | - | 59840.30 | 57232.38 | 21725.00 | 157791.00 | - | 141901.00 | 155167.06 | 136261.00 | |
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ | 338402.18 | 183904.06 | 308910.24 | 407619.00 | 227531.47 | 237308.92 | 57654.88 | 197460.89 | 16662.00 | 215966.50 | 267970.18 | 100186.00 | 212807.17 | 174424.20 | 426326.86 | 214826.67 | 113700.00 | 682919.00 | - | 134152.00 | 79549.00 | 168577.25 | 9656.00 | 208976.00 | 317003.00 | 136694.00 | 193312.60 | 111866.00 | 176394.00 | 137738.00 | 77202.00 | 195594.00 | 256051.00 | 140481.44 | 284703.60 | 89465.00 | 55059.50 | 212452.33 | 238874.05 | 202519.38 | 275640.67 | 250599.11 | 281868.83 | 270767.00 | 292266.42 | 193989.06 | 215709.38 | 310770.36 | 245417.83 | 271266.78 | 260984.44 | |
SPERMIDINE (M+H)+ | 7911.00 | 9408.73 | 5652.57 | 7470.33 | 7320.79 | 6976.73 | 8625.22 | 7489.87 | 5584.00 | 6808.27 | 10885.18 | 6264.00 | 7319.63 | 8750.50 | 10079.25 | 12760.33 | 9424.00 | 11112.00 | 7089.00 | 10105.00 | - | 10213.67 | 4156.00 | 8347.00 | 3449.00 | 9292.00 | 7215.50 | 4973.00 | 12669.00 | 10327.00 | 9055.00 | 5316.00 | 6063.00 | 10032.57 | 5544.50 | 6686.00 | 6640.00 | 8138.00 | 13281.15 | 7403.32 | 9425.50 | 7415.06 | 11778.22 | 9039.89 | 12854.65 | 5453.31 | 7918.60 | 6398.46 | 9267.15 | 8311.00 | 8070.62 | |
SPHINGANINE (M+H)+ | 99220.78 | 53523.00 | 72857.07 | 52732.30 | 100924.47 | 52322.30 | 131060.12 | 60989.76 | 89168.00 | 75469.08 | 67887.08 | 48268.00 | 97003.85 | 104549.40 | 57601.29 | 51149.50 | 132914.00 | 26454.00 | 44051.00 | 74773.00 | - | 18740.00 | 51394.00 | 75313.00 | - | 95649.00 | 91536.17 | 71410.00 | 103910.20 | 260708.00 | - | 91898.00 | 10157.00 | 109970.38 | 42305.33 | 81257.00 | 35611.50 | 55633.80 | 59653.19 | 79270.71 | 61937.33 | 84991.56 | 55149.20 | 61877.33 | 55247.56 | 64277.25 | 102894.70 | 65832.93 | 76931.25 | 59062.88 | 62876.88 | |
SPHINGOSINE (M+H)+ | 193233.71 | 74677.38 | 65113.69 | 60315.11 | 152254.33 | 64916.62 | 104317.71 | 74707.15 | 109059.00 | 102026.45 | 90043.00 | 78812.00 | 143920.38 | 178066.50 | 127933.25 | 76723.00 | 213703.00 | 42171.00 | 79988.00 | 97808.00 | - | - | 150755.00 | 104505.00 | 47863.00 | 195966.00 | 136325.17 | 112920.00 | 161249.40 | 217784.00 | - | 129890.00 | 25290.00 | 143435.00 | 79446.50 | 217191.00 | 58156.50 | 75760.75 | 91362.72 | 100468.25 | 67546.17 | 93345.57 | 75815.29 | 70659.86 | 56729.43 | 78269.93 | 129605.12 | 69176.45 | 125025.64 | 104532.15 | 88650.29 | |
SPHINGOSINE (M+H)+[-H2O] | 13099.00 | 6468.00 | 13518.00 | 33082.00 | 29138.25 | - | 27890.00 | 19792.00 | - | 6442.00 | 20341.00 | - | 54614.67 | 17752.00 | - | - | - | - | - | - | - | - | - | - | - | 33224.00 | 41071.50 | - | 21938.00 | 43502.00 | - | - | - | - | - | - | - | 17835.00 | 46682.00 | 21744.50 | - | 21922.00 | 14020.00 | 20077.00 | 15962.00 | 17584.50 | 30444.00 | 23828.00 | 24049.67 | 24296.00 | 38111.00 | |
STEAROYLCARNITINE (*) (M+H)+ | 235462.55 | 275070.65 | 371766.39 | 356331.82 | 676301.60 | 268994.08 | 517558.00 | 408684.32 | 1239667.00 | 513061.82 | 1017103.23 | 760959.00 | 602860.42 | 954074.00 | 383788.14 | 337857.25 | 1517772.00 | 124539.00 | 366373.00 | 524806.00 | 302990.00 | 648817.75 | 495441.00 | 411264.00 | 143246.00 | 882940.00 | 758926.67 | 1447377.00 | 445173.40 | 1402237.00 | 1500795.00 | 965654.00 | - | 873952.73 | 438178.17 | 404828.00 | 545343.50 | 399209.14 | 529497.35 | 683510.86 | 341646.89 | 912888.72 | 964872.58 | 454089.00 | 424960.00 | 523270.29 | 762898.46 | 660727.44 | 499575.00 | 484140.90 | 606058.22 | |
TETRADECADIENOYLCARNITINE (*) M+ | 149630.00 | 160104.67 | 79574.13 | 108138.90 | 294176.40 | 121434.33 | 94019.29 | 153796.65 | 139176.00 | 205496.92 | 161416.82 | 300686.00 | 402200.05 | 299795.60 | 62923.71 | 86025.00 | 1458043.00 | 31961.00 | 151226.00 | 87710.00 | - | 31277.00 | 658990.00 | 168232.00 | 103303.00 | 232727.00 | 842263.33 | 829295.00 | 270756.40 | 322119.00 | - | 746158.00 | 35858.00 | 418857.38 | 163014.33 | 1041226.00 | 614512.00 | 36173.25 | 30047.44 | 545112.65 | 171882.22 | 373637.62 | 477949.70 | 62770.25 | 135962.47 | 454544.44 | 257620.89 | 135415.54 | 129394.83 | 228797.20 | 214557.25 | |
TETRADECENOYLCARNITINE (*) M+ | 53972.27 | 58434.59 | 32928.67 | 47234.09 | 111633.00 | 48869.08 | 59522.30 | 70592.84 | 116129.00 | 95829.65 | 99205.38 | 106041.00 | 138943.75 | 116197.60 | 25153.71 | 51517.00 | 493388.00 | 12464.00 | 50633.00 | 18393.00 | 85962.00 | 52689.75 | 235787.00 | 53241.00 | 33178.00 | 44471.00 | 182194.00 | 311095.00 | 52336.40 | 152987.00 | 432491.00 | 183576.00 | 5261.00 | 187483.27 | 50680.50 | 189916.00 | 129626.00 | 15491.86 | 24488.17 | 150726.95 | 69685.67 | 227568.06 | 262276.25 | 45118.00 | 90163.78 | 130564.53 | 92036.54 | 73259.06 | 72157.86 | 65333.53 | 71465.56 | |
THEOBROMINE (M+H)+ | 262556.36 | 214199.53 | 139920.41 | 153004.75 | - | - | 45759.00 | - | - | 440734.94 | 286808.85 | 46683.00 | 149274.76 | 163723.00 | 456994.86 | 241153.75 | 130793.00 | 300514.00 | 185311.00 | 960056.00 | 94219.00 | 327654.00 | 357780.00 | 1501629.00 | 483048.00 | 501177.00 | 594651.17 | 37641.00 | 840492.80 | 173296.00 | 130936.00 | 36798.00 | 994571.00 | 397588.00 | 524078.25 | 37088.00 | 93838.00 | 36086.00 | 45614.75 | 327773.38 | 524814.44 | 467186.80 | 82496.33 | 183490.44 | 133461.53 | 63314.38 | 165616.20 | 180823.38 | 252171.33 | 346677.24 | 274236.43 | |
THEOPHYLLINE (M+H)+ | 1873099.18 | 1437883.65 | 1035737.73 | 913682.25 | 8693.50 | 5708.00 | 8753.00 | 6277.00 | - | 3643895.81 | 2407918.85 | - | 793151.60 | 299543.00 | 2256457.43 | 1251143.00 | 396604.00 | 1518537.00 | 1064655.00 | 4758462.00 | 725726.00 | 1972222.50 | 2195900.00 | 7922174.00 | 2511017.00 | 3040296.00 | 4319950.00 | 304947.00 | 1711294.60 | 1267637.00 | 1163472.00 | - | 4999754.00 | 1711070.00 | 1968827.80 | 281598.00 | 573015.00 | 45294.00 | 116834.30 | 1979751.67 | 2536870.56 | 1786957.00 | 247461.00 | 1092047.25 | 729702.73 | 309671.78 | 731397.33 | 1457301.33 | 1626340.92 | 1760558.65 | 1595227.14 | |
THEOPHYLLINE (M+Na)+ | 116639.62 | 66380.86 | 59984.14 | 35972.88 | 33269.64 | 25119.83 | 18494.00 | 33235.00 | - | 191383.67 | 109311.85 | 8311.00 | 41953.25 | 20064.00 | 89247.67 | 42322.75 | 47190.00 | 48213.00 | 32836.00 | 116467.00 | - | 43371.00 | 65232.00 | 301960.00 | 155983.00 | 46418.00 | 140499.67 | 27282.00 | 96618.50 | 36015.00 | - | 3270.00 | 84998.00 | 99521.83 | 49439.17 | 61004.00 | 63007.00 | 42836.67 | 30760.35 | 95929.35 | 80600.89 | 81807.77 | 22822.50 | 46834.88 | 39850.13 | 37827.45 | 174770.33 | 61650.71 | 90444.18 | 78002.33 | 61253.88 | |
THREONINE (M+H)+[-H2O] | 21097.62 | 14755.57 | 19884.20 | 3709.00 | 43201.92 | 21476.17 | 18342.25 | 41356.67 | 22361.00 | 18704.75 | 11502.00 | - | 30835.24 | 30852.00 | 30224.80 | 19006.50 | 34581.00 | 14569.00 | 35547.00 | - | - | 56565.00 | - | 26771.00 | 10784.00 | 36473.00 | 19705.40 | 53297.00 | 24323.40 | 66605.00 | - | 51428.00 | 79420.00 | 24077.71 | 26490.33 | - | - | 5561.00 | 35239.19 | 30234.54 | 33521.60 | 27478.40 | 17494.00 | 13629.00 | 17792.67 | 22316.92 | 42534.57 | 12824.14 | 23961.00 | 20574.58 | 27421.50 | |
TRANS-3^-HYDROXYCOTININE (M+H)+ | - | - | 33000.50 | - | 142072.93 | 138481.46 | 123815.44 | 153547.53 | 276981.00 | 154229.14 | 240638.67 | - | 4084.50 | 80862.33 | 84573.00 | 157469.00 | - | 63647.00 | 230401.00 | 70354.00 | - | 66881.75 | 57423.00 | 13577.00 | 135025.00 | 11437.00 | 21068.00 | - | - | 133417.00 | - | - | - | 138927.00 | 121960.67 | - | 33703.00 | 98230.00 | 69569.25 | 164552.08 | 215266.33 | - | - | 97710.56 | 35887.19 | 120947.00 | 326818.33 | - | 109965.00 | 157810.61 | 174702.50 | |
TRANS-CYCLOHEXANE-1,2-DIOL (M+Na)+ | - | 1143622.00 | 405594.50 | 883479.50 | 1104882.00 | 1131947.75 | 1632911.00 | 1105144.00 | - | - | 1287218.25 | 19002050.00 | 683444.40 | 772111.33 | 450080.00 | 1106080.00 | - | 447407.00 | - | - | - | - | 947138.00 | - | - | - | 1357678.50 | - | 496161.00 | - | - | - | 2279974.00 | 800612.00 | - | 1331717.00 | 1620676.00 | 594763.00 | 1941947.25 | 894911.00 | 3570607.20 | 1398767.33 | 1745393.00 | - | 877806.60 | 1282413.50 | 1091222.33 | 704772.40 | 3077327.75 | 6737763.00 | 1082754.33 | |
TRYPTOPHAN (M+H)+ | 32837423.55 | 30767423.44 | 25647832.72 | 28744196.91 | 27469122.06 | 24334137.46 | 26234181.90 | 29830039.11 | 39033112.00 | 30015656.35 | 29650433.08 | 19156022.00 | 30384406.96 | 32651210.40 | 24533353.43 | 24293017.25 | 34623544.00 | 40193648.00 | 28203344.00 | 30435796.00 | 22602616.00 | 21274068.00 | 16011433.00 | 33963368.00 | 38512596.00 | 38300972.00 | 34455838.67 | 44183872.00 | 38053949.60 | 36557112.00 | 20403952.00 | 31750100.00 | 39168128.00 | 27156407.73 | 28820127.67 | 18139840.00 | 19519665.00 | 27972275.43 | 35723623.91 | 31779691.29 | 24158372.78 | 30177228.00 | 28789262.67 | 26458027.27 | 24388805.47 | 28309876.12 | 24544209.54 | 27738041.88 | 34813785.50 | 25942295.55 | 31439650.44 | |
TRYPTOPHAN (M+Na)+ | 148651.64 | 194881.83 | 114454.33 | 178400.09 | 126633.06 | 217915.77 | 156942.90 | 148801.42 | 122030.00 | 159434.18 | 186298.54 | 278904.00 | 161109.58 | 151538.60 | 104865.43 | 194203.50 | 120024.00 | 137073.00 | 105503.00 | 110063.00 | 325798.00 | 255300.00 | 268296.00 | 115677.00 | 121305.00 | 110917.00 | 165572.17 | 111758.00 | 116849.60 | 122665.00 | 294695.00 | 95119.00 | 118081.00 | 162689.73 | 106198.17 | 263882.00 | 276972.00 | 202644.57 | 188647.39 | 148056.14 | 173619.22 | 169551.22 | 163787.25 | 127320.64 | 159730.47 | 132060.06 | 166410.69 | 166731.62 | 153659.64 | 150301.45 | 177929.44 | |
TYROSINE (M+H)+ | 9728568.91 | 9648148.39 | 10751986.72 | 10205377.64 | 13194070.12 | 8535084.77 | 8716710.00 | 12068476.05 | 14377213.00 | 14542012.47 | 13661707.00 | 4612693.00 | 11706984.92 | 11373242.00 | 10611323.57 | 7172399.25 | 10761727.00 | 10726001.00 | 9710776.00 | 10587071.00 | 4377283.00 | 5990315.75 | 4975218.00 | 14930586.00 | 7933827.00 | 13480207.00 | 11560340.50 | 19821248.00 | 11636897.40 | 15647249.00 | 4892501.00 | 10580356.00 | 17594802.00 | 10861435.64 | 12608392.17 | 7145677.00 | 4577966.50 | 11934065.14 | 20302795.78 | 10183949.95 | 7866987.78 | 11805714.39 | 10199293.42 | 9127809.09 | 9410517.74 | 10679838.24 | 10969712.92 | 9507599.31 | 13980680.79 | 9906595.60 | 11110424.56 | |
TYROSINE (M+Na)+ | 29327.00 | 47995.44 | 35493.22 | 45662.82 | 45486.71 | 57383.15 | 47460.00 | 44359.74 | 31197.00 | 62845.94 | 50767.69 | 50392.00 | 47190.67 | 38569.75 | 29008.14 | 38501.25 | 33889.00 | 29403.00 | 13097.00 | 29284.00 | 49933.00 | 39145.25 | 69337.00 | 26462.00 | 26279.00 | 21468.00 | 37494.60 | 51463.00 | 26632.60 | 56382.00 | 63765.00 | 38781.00 | 38533.00 | 48614.73 | 54027.67 | 117075.00 | 59268.50 | 60280.14 | 78643.91 | 42548.95 | 44273.22 | 51163.78 | 46673.08 | 44310.36 | 43433.67 | 43971.94 | 45485.85 | 40385.12 | 38638.79 | 36233.80 | 48223.44 | |
URIC ACID (M+H)+ | 1235305.27 | 1580346.21 | 1301505.65 | 1689207.25 | 1143999.81 | 1168487.56 | 1052290.75 | 1408930.47 | 1409283.00 | 1266821.71 | 1640024.89 | - | 1279535.14 | 1311188.25 | 1354060.00 | 1263087.00 | 1442244.00 | 1184344.00 | 1622429.00 | 1627265.00 | 730098.00 | 1089345.25 | - | 2658917.00 | 1666397.00 | 1289633.00 | 1327670.80 | 1397009.00 | 1267818.00 | 1488054.00 | 1052624.00 | 649537.00 | 1970991.00 | 1415023.00 | 1619661.67 | - | - | 917988.83 | 1412706.42 | 1195776.05 | 1697020.67 | 1133800.33 | 1370035.73 | 1387183.82 | 1594701.13 | 1299477.20 | 1416846.45 | 837670.23 | 1222285.15 | 1375075.50 | 1391016.43 | |
URIDINE (M+Na)+ | 48722.67 | 51487.83 | 35154.00 | 39020.50 | 62986.12 | 37214.00 | 40977.40 | 53423.33 | 55766.00 | 38935.69 | 47048.33 | - | 52094.79 | 44570.67 | 45741.29 | 42055.00 | 82338.00 | 49438.00 | 50375.00 | - | 22057.00 | 25118.50 | - | 34684.00 | 41633.00 | - | 62172.67 | 35079.00 | 49698.50 | - | 26248.00 | 58754.00 | 54312.00 | 44077.70 | 70051.83 | - | - | 55857.20 | 53883.81 | 47508.87 | 61179.17 | 52875.50 | 57856.56 | 63874.88 | 58516.08 | 76512.67 | 56731.25 | 42725.64 | 38458.00 | 50592.87 | 40240.50 | |
URSODIOL (M+H)+[-H2O] | 20166.00 | 63573.75 | 294455.20 | 122715.00 | 11658.50 | 16779.00 | 6017.00 | 22586.00 | - | 1133.00 | 71973.00 | - | 12638.50 | - | 20766.00 | - | - | - | - | - | - | - | - | - | - | - | 11672.00 | - | 32737.00 | - | - | - | - | 27945.00 | - | - | - | 35603.67 | 34007.67 | 29504.00 | - | - | - | 8991.00 | 29825.00 | 22624.00 | 2247.00 | 188430.33 | 92325.00 | 26119.67 | - | |
VALINE (M+H)+ | 13310177.27 | 12201144.33 | 7499521.11 | 7313321.82 | 12679860.82 | 6676477.92 | 10465187.80 | 12501838.16 | 14963246.00 | 13306824.29 | 14405408.46 | 4058799.00 | 11726505.00 | 12843256.40 | 9425653.57 | 8197073.25 | 16087286.00 | 17879022.00 | 31264074.00 | 15327821.00 | 2104420.00 | 4959634.00 | 1398922.00 | 13431501.00 | 12394548.00 | 18770296.00 | 11794021.50 | 21078192.00 | 14041619.80 | 16661443.00 | 2698100.00 | 10227351.00 | 18396448.00 | 9695967.82 | 13196305.67 | 5321173.00 | 5583526.00 | 8829463.29 | 18114895.87 | 9953023.29 | 7549095.88 | 9916319.72 | 11066084.58 | 9121106.64 | 9123609.68 | 10953642.00 | 9001721.46 | 10740412.88 | 11140136.36 | 9244970.30 | 12712332.44 | |
VALINE (M+Na)+ | 135257.55 | 142604.17 | 77625.67 | 138629.64 | 137812.47 | 87479.31 | 113021.70 | 157507.16 | 46888.00 | 164815.00 | 205537.46 | 79992.00 | 115426.17 | 90292.60 | 137013.71 | 140910.50 | 126334.00 | 121542.00 | 224095.00 | 97219.00 | 48075.00 | 154045.25 | 93419.00 | 156316.00 | 132384.00 | 108304.00 | 111269.67 | 121828.00 | 97225.60 | 140943.00 | 85290.00 | 165905.00 | 136751.00 | 94989.33 | 144688.17 | 98921.00 | 68473.00 | 168371.14 | 176201.39 | 98596.00 | 117816.75 | 104573.00 | 124228.58 | 74024.73 | 99074.83 | 111522.00 | 97426.85 | 119691.50 | 113991.29 | 135344.45 | 145593.22 | |
XANTHOSINE (M+H)+ | 2533.00 | 5554.67 | 9853.00 | 6521.00 | 3151.00 | 2207.00 | 3370.50 | 2612.00 | - | 2796.00 | 7578.00 | - | 3082.00 | 5932.00 | 5154.50 | - | - | - | - | - | 3402.00 | 1859.00 | - | - | - | - | 3681.00 | - | 6063.00 | - | 2557.00 | 2187.00 | - | 4237.00 | - | - | - | 3800.33 | 4067.67 | 3478.00 | - | 3608.80 | 3947.00 | 2395.67 | 5369.33 | 5097.33 | 1853.33 | 5050.00 | 2763.50 | 5860.83 | - | |
ZEATIN [ISTD] (M+H)+ | 1170856.36 | 1261360.94 | 1222617.28 | 1114575.36 | 1201506.71 | 1206817.92 | 1288507.60 | 1114920.00 | 1251619.00 | 1225675.41 | 1238101.92 | 1169987.00 | 1200573.62 | 1216992.80 | 923640.00 | 1101535.25 | 1291786.00 | 1128753.00 | 1111681.00 | 1441116.00 | 1407893.00 | 1185117.25 | 1401358.00 | 1261996.00 | 1308386.00 | 1451857.00 | 1546498.50 | 1393696.00 | 1427104.40 | 1429672.00 | 1411397.00 | 1342858.00 | 1166489.00 | 1182298.82 | 940918.00 | 1481285.00 | 1476393.00 | 1260378.71 | 1256360.61 | 1359726.52 | 970328.89 | 1190172.17 | 1080990.42 | 1174735.00 | 1237594.21 | 1200241.65 | 1222134.00 | 1179353.56 | 1304680.57 | 1210036.85 | 1271945.33 |
Factors:
F1 | Categorization:Amhara | Country:Ethiopia | Ethnicity:Amhara | Occupation:Agriculturalist | Sex:F |
F2 | Categorization:Amhara | Country:Ethiopia | Ethnicity:Amhara | Occupation:Agriculturalist | Sex:M |
F3 | Categorization:Dizi | Country:Ethiopia | Ethnicity:Dizi | Occupation:Agropastoralist | Sex:F |
F4 | Categorization:Dizi | Country:Ethiopia | Ethnicity:Dizi | Occupation:Agropastoralist | Sex:M |
F5 | Categorization:Hadza_settled | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:F |
F6 | Categorization:Hadza_settled | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:M |
F7 | Categorization:Hadza_traditional | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:F |
F8 | Categorization:Hadza_traditional | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:M |
F9 | Categorization:Hadza_traditional | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:nan |
F10 | Categorization:Hamer | Country:Ethiopia | Ethnicity:Hamer | Occupation:Pastoralist | Sex:F |
F11 | Categorization:Hamer | Country:Ethiopia | Ethnicity:Hamer | Occupation:Pastoralist | Sex:M |
F12 | Categorization:Herero | Country:Botswana | Ethnicity:Herero/Na | Occupation:Pastoralist | Sex:F |
F13 | Categorization:Herero | Country:Botswana | Ethnicity:Herero | Occupation:Pastoralist | Sex:F |
F14 | Categorization:Herero | Country:Botswana | Ethnicity:Herero | Occupation:Pastoralist | Sex:M |
F15 | Categorization:Ju | Country:Botswana | Ethnicity:Ju|Hoan | Occupation:Hunter-Gatherer | Sex:F |
F16 | Categorization:Ju | Country:Botswana | Ethnicity:Ju|Hoan | Occupation:Hunter-Gatherer | Sex:M |
F17 | Categorization:Ju | Country:Botswana | Ethnicity:Ju|Hoan/!Xoo | Occupation:Hunter-Gatherer | Sex:F |
F18 | Categorization:Ju | Country:Botswana | Ethnicity:Ju|Hoan/!Xoo | Occupation:Hunter-Gatherer | Sex:M |
F19 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Ju|Hoan | Occupation:Hunter-Gatherer | Sex:M |
F20 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Naro | Occupation:Hunter-Gatherer | Sex:M |
F21 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau | Occupation:Hunter-Gatherer | Sex:F |
F22 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau | Occupation:Hunter-Gatherer | Sex:M |
F23 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Tsoa/Naro/Na | Occupation:Hunter-Gatherer | Sex:M |
F24 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Tsoa | Occupation:Hunter-Gatherer | Sex:M |
F25 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Tswana | Occupation:Hunter-Gatherer | Sex:F |
F26 | Categorization:Ju | Country:Botswana | Ethnicity:Naro/Kaukau/Nama/Na | Occupation:Hunter-Gatherer | Sex:M |
F27 | Categorization:Ju | Country:Botswana | Ethnicity:Naro/Kaukau | Occupation:Hunter-Gatherer | Sex:F |
F28 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Kgalagadi/Tswana | Occupation:Agropastoralist | Sex:F |
F29 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Mbukushu | Occupation:Agropastoralist | Sex:F |
F30 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Mbukushu | Occupation:Agropastoralist | Sex:M |
F31 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana/Herero | Occupation:Agropastoralist | Sex:F |
F32 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana/Na | Occupation:Agropastoralist | Sex:F |
F33 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana/Na | Occupation:Agropastoralist | Sex:M |
F34 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana | Occupation:Agropastoralist | Sex:F |
F35 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana | Occupation:Agropastoralist | Sex:M |
F36 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Yeyi | Occupation:Agropastoralist | Sex:F |
F37 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Yeyi | Occupation:Agropastoralist | Sex:M |
F38 | Categorization:Mursi | Country:Ethiopia | Ethnicity:Mursi | Occupation:Pastoralist | Sex:F |
F39 | Categorization:Mursi | Country:Ethiopia | Ethnicity:Mursi | Occupation:Pastoralist | Sex:M |
F40 | Categorization:Naro | Country:Botswana | Ethnicity:Naro | Occupation:Hunter-Gatherer | Sex:F |
F41 | Categorization:Naro | Country:Botswana | Ethnicity:Naro | Occupation:Hunter-Gatherer | Sex:M |
F42 | Categorization:Qimant | Country:Ethiopia | Ethnicity:Qimant | Occupation:Agropastoralist | Sex:F |
F43 | Categorization:Qimant | Country:Ethiopia | Ethnicity:Qimant | Occupation:Agropastoralist | Sex:M |
F44 | Categorization:Sabue | Country:Ethiopia | Ethnicity:Sabue | Occupation:Hunter-Gatherer | Sex:F |
F45 | Categorization:Sabue | Country:Ethiopia | Ethnicity:Sabue | Occupation:Hunter-Gatherer | Sex:M |
F46 | Categorization:Sandawe | Country:Tanzania | Ethnicity:Sandawe | Occupation:Hunter-Gatherer | Sex:F |
F47 | Categorization:Sandawe | Country:Tanzania | Ethnicity:Sandawe | Occupation:Hunter-Gatherer | Sex:M |
F48 | Categorization:Weyto | Country:Ethiopia | Ethnicity:Weyto | Occupation:Hunter-Gatherer | Sex:F |
F49 | Categorization:Weyto | Country:Ethiopia | Ethnicity:Weyto | Occupation:Hunter-Gatherer | Sex:M |
F50 | Categorization:!Xoo | Country:Botswana | Ethnicity:!Xoo | Occupation:Hunter-Gatherer | Sex:F |
F51 | Categorization:!Xoo | Country:Botswana | Ethnicity:!Xoo | Occupation:Hunter-Gatherer | Sex:M |