Data for ST000721
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 16:0-18:0 PC (M+CL)- | 19489.50 | 22864.00 | 15788.00 | 24921.00 | 12922.00 | 14238.00 | 17942.50 | 23396.00 | 22375.50 | 25166.00 | 19471.00 | 23738.57 | 19783.75 | 26183.00 | 24365.20 | 17220.00 | 26480.25 | 25893.40 | 23702.00 | 13446.20 | 23158.22 | 22298.57 | 22181.18 | 20515.33 | 19915.67 | 21161.95 | 19641.77 | 20658.85 | 20724.75 | 18612.50 | 24977.68 | 22064.87 | 23548.00 | 23763.00 | |
| 16:0 LYSO PC (M+CL)- | 482535.50 | 518000.00 | 472714.00 | 480501.00 | 439986.00 | 548153.00 | 451812.00 | 476167.00 | 495365.50 | 437607.00 | 463302.00 | 522807.14 | 492180.75 | 509162.00 | 451395.80 | 478457.00 | 499193.25 | 522320.40 | 518042.00 | 495075.60 | 518270.00 | 501406.43 | 489287.88 | 481658.60 | 495109.07 | 477766.59 | 486247.69 | 482243.86 | 382171.40 | 460071.17 | 494583.64 | 484440.94 | 499402.33 | 506517.43 | |
| 18:0 LYSO-PE (M-H)- | 336544.50 | 318157.00 | 84985.00 | 181693.00 | 84095.00 | 116608.00 | 171406.00 | 232924.25 | 334022.00 | 103747.00 | 319038.00 | 259439.29 | 249143.88 | 300158.67 | 206636.40 | 73238.00 | 221196.50 | 247590.00 | 372404.17 | 170839.20 | 255235.78 | 272539.71 | 239572.76 | 192128.10 | 280164.80 | 211011.95 | 244188.08 | 209047.33 | 117009.80 | 158753.17 | 264151.64 | 269753.33 | 159012.67 | 229369.86 | |
| 1-METHYLXANTHINE (M-H)- | 24661.00 | 16454.00 | 14271.00 | - | - | - | 30675.00 | 154643.00 | 26164.00 | 129004.00 | 104480.00 | 9350.67 | 44637.00 | 13471.00 | 51868.67 | 56631.00 | 18358.00 | 31107.75 | 24665.00 | 54570.50 | 26255.25 | 78198.33 | 63904.62 | 64396.50 | 73475.43 | 49366.90 | 176408.20 | 124710.08 | 90329.00 | 85083.00 | 53726.44 | 51324.32 | 80890.00 | 91777.20 | |
| 24:0 SM (D18:1/24:0) (M+CL)- | 147885.50 | 144862.00 | 95636.00 | 126988.00 | 57315.00 | 58040.00 | 45819.00 | 148019.25 | 97431.00 | 112262.00 | 95098.00 | 165824.57 | 101685.50 | 158989.67 | 117844.20 | 50017.00 | 129699.75 | 125714.20 | 114376.83 | 84191.20 | 153043.56 | 101642.14 | 126153.06 | 106423.67 | 123566.29 | 100811.36 | 112664.92 | 95860.57 | 115362.75 | 85370.33 | 142159.52 | 112807.94 | 83153.00 | 131386.00 | |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- | 2043047.00 | 653037.00 | 550598.00 | 943402.00 | 683475.00 | 1153136.00 | 491448.50 | 1549229.00 | 3354746.50 | 520924.00 | 393981.00 | 2643703.71 | 932122.38 | 1290836.00 | 2197784.20 | 885547.00 | 597419.50 | 658119.80 | 1886371.50 | 705146.80 | 1054420.00 | 704924.00 | 1123970.24 | 798689.30 | 953604.33 | 743010.68 | 785710.38 | 1109987.57 | 367505.75 | 689055.17 | 1056144.36 | 841607.65 | 586449.67 | 1299594.00 | |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- | 126978.50 | 117745.00 | 87438.00 | 155242.00 | 171705.00 | 94049.00 | 158214.50 | 122284.25 | 170182.00 | 304520.00 | 163936.00 | 178716.43 | 163850.50 | 142236.00 | 121845.60 | 91514.00 | 123133.88 | 131985.20 | 110810.33 | 185576.80 | 121278.44 | 102397.57 | 135336.65 | 120906.60 | 130563.73 | 106763.91 | 140347.69 | 148269.57 | 232960.00 | 220729.33 | 137240.16 | 105952.58 | 137583.33 | 118725.71 | |
| 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- | 71553.00 | - | - | - | - | - | - | 26233.50 | 35837.00 | - | - | 32690.50 | 33458.00 | 14389.00 | 58787.00 | - | 13919.00 | - | 22776.00 | 26539.67 | 48119.00 | 27522.50 | 38657.33 | 41623.00 | 24773.29 | 21121.11 | 40846.50 | 31130.50 | 49269.33 | 125195.00 | 28161.17 | 22455.00 | - | 8181.50 | |
| 3-METHYL-2-OXOPENTANOIC ACID (M-H)- | 3413050.00 | - | - | 4053415.00 | 4020269.00 | 4797209.00 | 3282600.00 | 3937722.25 | 5397512.50 | 4577336.00 | 3224754.00 | 5227206.17 | 4011352.62 | 3910401.00 | 4455312.33 | 2629972.00 | 3290417.00 | 2609077.33 | 5886488.25 | 3793167.00 | 3389402.00 | 3902314.20 | 4099691.83 | 3180402.00 | 4251885.46 | 3361646.56 | 3922123.55 | 4122933.43 | 3130666.00 | 3708673.17 | 4076364.81 | 4010900.15 | 4370396.00 | 4766938.83 | |
| 3-METHYLXANTHINE (M-H)- | 26122.50 | 14752.00 | 40336.00 | - | - | - | 253521.00 | 36556.00 | 36462.00 | - | - | 22891.00 | 25676.40 | 19799.50 | 23855.00 | 142048.00 | 46193.50 | 71999.00 | 87414.00 | 126604.50 | 51724.00 | 100785.50 | 29698.44 | 45145.00 | 194553.33 | 34001.22 | 29076.83 | 71772.00 | 169763.50 | 90643.00 | 92636.58 | 68622.47 | - | 54378.50 | |
| 4-ACETAMINOPHEN SULFATE (M-H)- | 86730.50 | - | - | - | 343820.00 | - | - | 261361.50 | 9406.50 | 16044.00 | 432094.00 | - | 384447.00 | 4033351.00 | 4544550.75 | - | 69812.67 | 1996235.00 | - | 84141.50 | 1838050.33 | 2587946.67 | 2362679.71 | 3134861.00 | 3458153.25 | 324702.67 | 3699406.50 | 3335317.20 | 602376.50 | 4900487.33 | 2118370.17 | 1994257.00 | 973572.00 | 2411028.40 | |
| 4-METHYL-2-OXOPENTANOIC ACID (M-H)- | 5244212.00 | - | - | 5392630.00 | 5410421.00 | 6764637.00 | 5078442.00 | 5663849.00 | 7785672.50 | 6041395.00 | 4341825.00 | 7786851.67 | 5968708.62 | 6379217.50 | 6935610.33 | 3222191.00 | 5054008.57 | 3964919.67 | 8748472.25 | 5960868.00 | 4849325.75 | 5456699.20 | 6679822.83 | 4822039.25 | 6029457.54 | 4926766.44 | 5462355.18 | 5821808.36 | 4242305.50 | 4880778.33 | 6232486.86 | 5996833.96 | 5249691.33 | 6622075.17 | |
| 4-PYRIDOXIC ACID (M-H)- | 19693.00 | 15402.00 | 11961.00 | 9744.00 | 15163.00 | 12984.00 | 22177.50 | 23235.75 | 10071.00 | 50579.00 | 240300.00 | 24969.17 | 41521.00 | 47483.67 | 34415.80 | 27806.00 | 16206.25 | 23536.00 | 29017.17 | 43155.00 | 21427.11 | 42601.14 | 105982.29 | 71032.50 | 30901.33 | 31751.62 | 72896.85 | 78383.24 | 289400.00 | 113774.33 | 57504.24 | 76010.17 | 29212.00 | 20988.86 | |
| 5-HYDROXY OMEPRAZOLE (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 26852.00 | 66811.00 | - | - | - | - | 64261.00 | - | 150336.00 | - | - | 72526.00 | - | 315478.00 | - | - | |
| 5-HYDROXYTRYPTOPHAN (M-H)- | 16307.00 | 7320.00 | 13469.00 | 9206.00 | 12226.00 | 9874.00 | 11387.50 | 13694.33 | 20333.00 | 22324.00 | 23623.00 | 13063.40 | 14839.12 | 12852.50 | 14073.00 | 14407.00 | 11252.75 | 14829.50 | 10581.60 | 11923.20 | 14593.38 | 11587.33 | 11961.50 | 24737.25 | 14942.75 | 14511.88 | 18229.62 | 13400.95 | 23853.00 | 15619.40 | 13791.30 | 14138.53 | 9734.00 | 12089.67 | |
| 5^-METHYLTHIOADENOSINE (M+CL)- | - | - | - | 5539.00 | - | - | 4890.00 | 4575.00 | 11586.00 | - | - | - | - | - | 9136.00 | - | 4576.00 | - | - | 7618.00 | 11603.00 | 5210.00 | 10752.00 | 5951.33 | 5900.00 | 11701.00 | 6739.50 | 8668.40 | - | - | 6239.20 | 8383.75 | 3443.00 | 8484.00 | |
| ACETAMINOPHEN (TN TYLENOL) (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 199133.00 | - | - | 26459.00 | - | - | 102748.00 | 119782.50 | 366025.00 | - | 172704.00 | - | 29877.00 | 74122.00 | - | 138025.00 | 35870.00 | - | 10841.00 | 200351.33 | |
| ADIPIC ACID (M-H)- | 58430.00 | 27994.00 | 41999.00 | 43958.00 | 23956.00 | 52421.00 | 51045.00 | 59558.50 | 35412.00 | 97722.00 | 35839.00 | 57997.71 | 29541.86 | 39359.33 | 38159.20 | 20351.00 | 37471.88 | 49872.80 | 36495.50 | 38704.40 | 48788.11 | 199438.83 | 46392.88 | 69707.22 | 52956.80 | 31638.71 | 42640.85 | 38786.00 | 133483.50 | 245559.20 | 56459.40 | 84862.23 | 58815.33 | 33958.50 | |
| ALPHA-HYDROXYISOBUTYRIC ACID (M-H)- | 72555.50 | 58983.00 | 208366.00 | - | - | - | 23798.00 | 205410.00 | 65305.00 | 132522.00 | 28893.00 | 249620.17 | 100513.62 | 160561.33 | 127190.25 | 59199.00 | 94113.43 | 47780.60 | 161236.80 | 34073.33 | 121396.50 | 100085.60 | 138022.23 | 66595.71 | 147436.29 | 77518.55 | 177042.11 | 79746.47 | 126067.25 | 90510.50 | 137350.40 | 79619.88 | 119238.00 | 130142.40 | |
| ARACHIDIC ACID (M-H)- | 25734.00 | 12540.00 | 12742.00 | 18583.00 | 4621.00 | 17631.00 | 8690.50 | 22399.50 | 14911.50 | 16633.00 | 10731.00 | 26145.86 | 12997.38 | 28234.33 | 10785.80 | 5597.00 | 32733.50 | 13529.00 | 22515.67 | 9885.60 | 15140.44 | 11924.29 | 21970.59 | 13956.50 | 20616.87 | 17706.36 | 18972.85 | 12439.10 | 10834.80 | 17143.50 | 29732.68 | 15393.42 | 26050.33 | 17943.43 | |
| ARACHIDONIC ACID (M-H)- | 921225.00 | 509471.00 | 1557491.00 | 1912928.00 | 380644.00 | 1602931.00 | 683068.00 | 1359801.75 | 793569.50 | 945844.00 | 527682.00 | 1320040.86 | 497387.62 | 1479946.67 | 682354.20 | 547364.00 | 1061255.25 | 1113679.80 | 1217685.00 | 556281.20 | 1231735.78 | 766730.14 | 1309751.06 | 639909.10 | 1213888.60 | 669133.41 | 993690.31 | 603020.90 | 789121.80 | 494483.17 | 1269887.24 | 568465.39 | 1257105.67 | 1086131.14 | |
| AZELAIC ACID (M-H)- | 83825.00 | 114896.00 | 71993.00 | 67690.00 | 117290.00 | 103468.00 | 2711138.50 | 117859.00 | 57492.50 | 80483.00 | 134974.00 | 109216.14 | 103666.38 | 65897.00 | 88271.60 | 84683.00 | 107309.00 | 142410.60 | 84928.67 | 111203.20 | 100656.22 | 94367.00 | 83569.12 | 156392.90 | 86022.13 | 103923.32 | 109398.46 | 118453.81 | 79410.20 | 115062.67 | 99152.24 | 116373.77 | 88756.67 | 101959.86 | |
| BEHENIC ACID (M-H)- | 7710.50 | 5897.00 | 2859.00 | 4222.00 | 3451.00 | 3837.00 | 3418.00 | 5425.25 | 4675.00 | 2778.00 | 2245.00 | 6312.71 | 5108.12 | 7665.33 | 3703.80 | 2490.00 | 15034.25 | 4049.00 | 6291.17 | 3628.60 | 4912.44 | 4886.86 | 4991.53 | 5873.70 | 5747.87 | 8068.50 | 5102.15 | 4605.90 | 4592.33 | 7569.00 | 8223.96 | 5315.19 | 7306.67 | 4687.43 | |
| BILIVERDIN (M-H)- | - | - | - | 30388.00 | 21230.00 | 15759.00 | 12933.00 | 25461.75 | 38947.00 | 21568.00 | 11547.00 | 29854.17 | 23153.71 | 35736.50 | 23018.67 | 16578.00 | 21785.00 | 23559.33 | 13794.75 | 17593.40 | 21215.75 | 12075.80 | 27519.08 | 18604.62 | 21131.23 | 21559.39 | 27003.70 | 20063.71 | 25661.00 | 18691.80 | 30090.70 | 33599.15 | 35965.50 | 27286.17 | |
| CHOLIC ACID (M+CL)- | 316973.00 | 15422.00 | - | 4797.00 | 18339.00 | - | - | 16946.00 | 152488.00 | 2948.00 | 28188.00 | 41542.20 | 14085.83 | 36940.00 | 29527.33 | 20607.00 | 29866.00 | 6201.33 | 44288.00 | 24170.40 | 9508.20 | 13889.00 | 26985.70 | 21938.90 | 33665.60 | 30438.29 | 88968.11 | 84980.23 | 13268.00 | 72184.17 | 33252.65 | 20156.45 | 6399.00 | 7043.60 | |
| CHOLIC ACID (M-H)- | 618055.00 | 53746.00 | - | 11547.00 | 52787.00 | - | 6111.50 | 55083.00 | 215920.00 | 16506.00 | 162890.00 | 125634.17 | 34761.00 | 46933.33 | 105560.00 | 78534.00 | 139140.12 | 19065.60 | 112677.17 | 76038.00 | 23296.00 | 30205.00 | 66383.29 | 87864.60 | 116390.07 | 108797.23 | 194114.38 | 214069.00 | 29948.75 | 474236.83 | 77125.28 | 50506.77 | 11788.33 | 24010.29 | |
| CIS-11-EICOSENOIC ACID (M-H)- | 124908.00 | 33703.00 | 84951.00 | 126912.00 | 5632.00 | 187284.00 | 45076.50 | 118184.00 | 58473.00 | 120963.00 | 47670.00 | 149097.14 | 34944.38 | 156995.67 | 54742.80 | 15810.00 | 130579.88 | 69136.20 | 150537.67 | 39267.60 | 98510.56 | 46504.57 | 115014.47 | 42023.90 | 111084.87 | 54801.23 | 94983.54 | 41011.90 | 56895.60 | 50240.50 | 107044.80 | 35732.45 | 136068.00 | 67558.57 | |
| CIS-VACCENIC ACID (M-H)- | 5765166.50 | 1344768.00 | 10353284.00 | 9219737.00 | 340166.00 | 9460670.00 | 2987395.00 | 6959208.75 | 2900572.00 | 8076755.00 | 2514612.00 | 8185918.86 | 1991792.38 | 8580360.00 | 2806448.60 | 884217.00 | 6502345.25 | 5113748.60 | 6487583.67 | 2398382.00 | 6001067.78 | 2942012.29 | 7296677.29 | 2538518.30 | 6556850.00 | 2808715.32 | 5319421.23 | 2099612.52 | 4277710.40 | 2825109.00 | 7094718.68 | 2228045.19 | 6536570.67 | 4315004.29 | |
| CITRAMALIC ACID (M-H)- | - | - | - | - | - | - | - | 7538.00 | - | - | - | 18859.00 | 21470.00 | - | - | 14778.00 | 13553.00 | - | 19257.00 | 11566.00 | 16341.00 | - | 20293.00 | 28871.00 | 40307.00 | 6641.00 | 6834.00 | - | 257123.00 | 138040.50 | 12746.80 | 30554.75 | - | 27438.00 | |
| CITRIC ACID (M-H)- | 2325755.00 | 895469.00 | 666298.00 | 2647905.00 | 2501811.00 | 473250.00 | 420441.50 | 2062899.00 | 2002827.00 | 2448495.00 | 2265980.00 | 1227422.57 | 1020199.62 | 669984.33 | 1829715.20 | 835021.00 | 1548615.88 | 1447620.60 | 1219875.33 | 1334319.20 | 1667336.78 | 1843737.86 | 1460397.06 | 1228502.10 | 1310346.60 | 1606207.23 | 1750804.85 | 1368541.90 | 1536892.75 | 1711537.50 | 1314831.88 | 1210778.13 | 2672435.00 | 1231349.14 | |
| CORTISOL (M+CL)- | 137457.50 | 28174.00 | 267254.00 | 114377.00 | 42873.00 | 133574.00 | 59005.00 | 148136.25 | 146966.50 | 173291.00 | 67869.00 | 168279.00 | 70708.38 | 191097.67 | 87155.60 | 47560.00 | 77506.62 | 56415.60 | 105709.83 | 91943.80 | 77347.78 | 57641.00 | 104880.06 | 82014.10 | 77767.67 | 90241.23 | 95360.23 | 72544.48 | 50441.00 | 97796.17 | 124987.04 | 79564.45 | 63393.33 | 93618.29 | |
| CORTISONE (M+CL)- | 36172.50 | 16509.00 | 57105.00 | 52033.00 | 24532.00 | 54174.00 | 24106.00 | 45037.75 | 60187.50 | 29405.00 | 24037.00 | 44200.86 | 33531.75 | 45605.00 | 39683.20 | 24377.00 | 30762.88 | 28394.00 | 36705.67 | 42941.20 | 32473.44 | 26253.57 | 36541.18 | 37404.30 | 31683.53 | 38591.59 | 35643.15 | 35749.67 | 27427.75 | 39099.83 | 40774.88 | 37236.03 | 17030.67 | 34562.71 | |
| DEHYDROASCORBIC ACID (M-H)- | 804966.00 | 888764.00 | 567634.00 | 839874.00 | 874231.00 | 393778.00 | 136565.00 | 796299.50 | 704904.50 | 930278.00 | 1092248.00 | 762243.29 | 782696.25 | 514618.00 | 692599.60 | 65129.00 | 729767.12 | 723356.40 | 852852.50 | 534469.20 | 729864.67 | 572509.43 | 770142.65 | 685557.78 | 750846.57 | 562759.35 | 880248.15 | 716826.67 | 867657.25 | 605298.50 | 798110.08 | 649396.57 | 747622.00 | 812336.60 | |
| DEHYDROEPIANDROSTERONE SULFATE (M-H)- | 5054035.50 | 7822656.00 | 5093482.00 | - | - | - | 3170326.00 | 15018052.67 | 1546139.00 | 1049936.00 | 831108.00 | 15344020.33 | 9016816.25 | 10440731.67 | 23314241.00 | 12269457.00 | 10382530.14 | 7652045.80 | 14327615.40 | 9691395.00 | 5861906.12 | 7315646.00 | 12483570.15 | 13612129.86 | 6397625.14 | 6758527.60 | 9457302.22 | 9881422.40 | 6114256.75 | 6538783.67 | 12522819.75 | 10840776.08 | 2883631.50 | 13755680.20 | |
| DEOXYADENOSINE (M+CL)- | 59080.00 | - | 122569.00 | 112923.00 | 49203.00 | 117482.00 | 35160.50 | 80897.00 | 54577.50 | 76383.00 | 23800.00 | 91531.14 | 54160.12 | 64373.33 | 34988.25 | 19238.00 | 56943.00 | 36933.00 | 74655.00 | 31068.00 | 48992.83 | 36394.80 | 81961.00 | 41707.86 | 61383.14 | 43807.43 | 59153.27 | 41909.69 | 52588.25 | 39390.40 | 63537.92 | 38186.87 | 60303.50 | 52837.57 | |
| DEOXYCHOLIC ACID (2M-H)- | 13186.00 | 16498.00 | - | - | 6040.00 | - | 8867.50 | 4421.33 | 7296.50 | 4155.00 | 129201.00 | 16382.00 | 21352.86 | 5967.67 | 10618.00 | 5230.00 | 5555.17 | 15886.00 | 16055.33 | 14493.00 | 3761.75 | 5904.57 | 5073.50 | 5093.11 | 15730.90 | 14585.12 | 53805.64 | 157038.69 | 4079.00 | 27408.50 | 15796.05 | 26063.96 | 5062.00 | 4073.83 | |
| DEOXYCHOLIC ACID (M+CL)- | 39959.50 | 86246.00 | 7642.00 | 15064.00 | 44601.00 | 8217.00 | 56833.50 | 34791.50 | 32022.00 | 36155.00 | 220842.00 | 49453.57 | 71604.00 | 40907.00 | 56730.00 | 24874.00 | 33879.25 | 46942.40 | 36395.00 | 51297.60 | 32704.56 | 46743.43 | 26527.35 | 38718.80 | 52636.67 | 49847.50 | 73361.62 | 119471.14 | 26668.50 | 85158.00 | 49255.64 | 74061.47 | 21528.00 | 25555.71 | |
| DEOXYCHOLIC ACID (M-H)- | 146097.50 | 325971.00 | 33179.00 | 76513.00 | 272591.00 | - | 364135.00 | 201670.75 | 131441.00 | 242193.00 | 1513226.00 | 321277.67 | 443555.00 | 252465.33 | 335156.60 | 142701.00 | 218020.71 | 306557.80 | 291013.25 | 297239.20 | 184999.11 | 278291.29 | 133273.94 | 221149.10 | 281718.27 | 314220.90 | 435592.15 | 356917.86 | 165983.25 | 241201.83 | 251528.25 | 398341.33 | 115447.00 | 165311.83 | |
| DEOXYURIDINE (M+CL)- | - | - | - | - | - | - | - | 22660.50 | - | 27126.00 | 16107.00 | 38176.33 | 27307.33 | - | 16152.00 | 28057.00 | 31410.60 | 28574.00 | 17531.00 | 8985.00 | 26500.00 | 22009.50 | 35521.67 | 24160.00 | 26865.57 | 28351.73 | 8494.00 | 26782.00 | 24672.33 | 26907.25 | 26996.62 | 31759.46 | 27521.00 | 42867.50 | |
| DOCOSAHEXAENOIC ACID (M-H)- | 715260.50 | 397485.00 | 828706.00 | 1212005.00 | 136278.00 | 1555764.00 | 667917.00 | 785797.75 | 535515.50 | 738019.00 | 496688.00 | 1073719.57 | 360651.75 | 851386.00 | 485408.60 | 191877.00 | 700311.62 | 693214.60 | 1284714.50 | 475737.20 | 818077.56 | 557112.57 | 1002444.24 | 541230.60 | 916969.60 | 499073.23 | 784224.92 | 428392.05 | 623151.00 | 343777.67 | 969000.24 | 494125.19 | 924234.33 | 647531.71 | |
| DUMP (M-H)- | - | - | - | 22273.00 | 6146.00 | - | 2909.00 | 11450.50 | 6642.00 | 5073.00 | 10631.00 | 9816.50 | 4089.00 | - | 12609.00 | - | 7930.80 | 5758.00 | 6188.00 | 7167.50 | 19379.00 | 6081.67 | 12254.00 | 8343.33 | 3607.33 | 6978.67 | 7087.25 | 7833.00 | - | 9644.00 | 5279.43 | 7348.73 | 3368.33 | 12726.33 | |
| EPIBRASSINOLIDE [ISTD] (M+CL)- | 820814.50 | 826858.00 | 822591.00 | 736438.00 | 867027.00 | 906352.00 | 817542.00 | 854435.25 | 796659.00 | 792428.00 | 863152.00 | 859292.00 | 815129.12 | 820905.00 | 841461.20 | 886356.00 | 839898.00 | 859105.80 | 848595.17 | 822997.40 | 846307.56 | 846069.71 | 837547.88 | 803529.00 | 852974.80 | 859351.82 | 807670.31 | 845787.57 | 844143.50 | 836784.67 | 831179.68 | 853829.65 | 797619.33 | 847565.00 | |
| ERUCIC ACID (M-H)- | 18604.00 | 4254.00 | 8268.00 | 10834.00 | 1466.00 | 12571.00 | 4860.00 | 13160.25 | 14012.00 | 9408.00 | 4842.00 | 14963.43 | 5716.62 | 16065.33 | 10269.60 | 1254.00 | 12575.50 | 6188.40 | 24759.33 | 6511.00 | 8958.00 | 8416.43 | 13482.47 | 6823.00 | 11161.00 | 9534.05 | 11147.38 | 7737.48 | 9626.67 | 7968.00 | 13726.84 | 6699.45 | 12722.00 | 9759.43 | |
| GERANYLGERANYL DIPHOSPHATE (M-H)- | 11924.50 | 13261.00 | 4435.00 | - | - | - | 3604.00 | 22504.00 | 7562.00 | 12997.00 | 28299.00 | 14361.60 | 9308.00 | 15161.33 | 7394.50 | - | 13793.20 | 12041.67 | 19121.75 | 7511.00 | 15238.00 | 6965.75 | 11713.90 | 7509.75 | 14564.38 | 9172.69 | 18492.57 | 10903.78 | 7780.50 | 6831.33 | 11773.79 | 9286.00 | 17618.00 | 10934.00 | |
| GLUCOSE (M+CL)- | 1341.00 | - | 5495.00 | 423877.00 | 40977.00 | 2830.00 | 73054.50 | 32384.67 | 91113.50 | 2534.00 | 1961.00 | 65885.00 | 12393.50 | 3440.33 | 57505.60 | 763.00 | 85771.38 | 387017.40 | 10668.20 | 83908.00 | 140423.62 | 46110.50 | 67167.75 | 60220.22 | 108667.33 | 23179.90 | 65946.67 | 57931.68 | 82225.20 | 45255.83 | 46789.48 | 39451.32 | 6474.33 | 15488.17 | |
| GLUTAMINE (M-H)- | 8112.00 | 14140.00 | 19954.00 | - | 21703.00 | 9149.00 | 6636.00 | 12773.33 | 16907.00 | 12042.00 | 58709.00 | 15096.00 | 12072.00 | 14494.00 | 16054.40 | 12718.00 | 21079.86 | 51074.67 | 24703.25 | 32693.33 | 16237.43 | 23119.33 | 18472.23 | 19054.57 | 19521.60 | 17092.32 | 21308.29 | 14159.06 | 15101.75 | 16685.60 | 19128.78 | 21796.79 | 11526.67 | 18317.00 | |
| GLUTARIC ACID (M-H)- | - | - | - | - | - | - | - | 55796.50 | 150956.00 | 4068.00 | 4514.00 | 13603.20 | 21641.00 | 10412.00 | 18172.00 | 54550.00 | 15737.80 | 21701.00 | 15786.00 | 23955.00 | 44846.00 | 24027.00 | 17266.33 | 13444.00 | 20393.33 | 22554.89 | 13990.00 | 21257.80 | 18548.00 | 69545.00 | 20673.09 | 15898.82 | 14255.50 | 30103.50 | |
| GLYCOCHOLIC ACID (2M-H)- | 29122.00 | 35501.00 | - | - | 7950.00 | - | 6822.00 | - | 79116.00 | - | 5210.00 | 27216.00 | 33281.17 | - | 1976.50 | - | 11485.50 | 1639.00 | 5696.00 | - | 12203.67 | 36364.00 | 26133.33 | 43005.50 | 9484.00 | 21473.38 | 13256.33 | 21059.91 | - | 3307.50 | 9504.71 | 13498.79 | 23341.00 | 8890.00 | |
| GLYCOCHOLIC ACID (M-H)- | 704080.50 | 1284230.00 | 12209.00 | 291574.00 | 627545.00 | 12381.00 | 274882.00 | 66080.67 | 1802436.00 | 6270.00 | 540285.00 | 431909.00 | 979272.88 | 99942.67 | 192403.40 | 91146.00 | 247924.25 | 137715.00 | 256992.00 | 149444.60 | 503104.00 | 631359.29 | 259399.71 | 835788.70 | 389898.87 | 631252.45 | 265917.38 | 473953.71 | 103927.33 | 235656.50 | 237893.12 | 440320.13 | 435911.33 | 415715.43 | |
| GLYCOLITHOCHOLIC ACID (M-H)- | 26458.00 | 20952.00 | - | - | 49004.00 | - | 52659.50 | 28796.00 | 41686.50 | - | 23287.00 | 7628.50 | 62679.20 | 28307.00 | 17327.67 | - | 17298.00 | 10581.20 | 16984.50 | - | 12962.83 | 26829.17 | 13066.86 | 24748.22 | 23391.67 | 47127.18 | 32118.40 | 24463.57 | 17434.00 | 16199.00 | 49071.14 | 38307.93 | 63640.00 | 30966.50 | |
| HEPTADECANOIC ACID (M-H)- | 39049.50 | 14198.00 | 34622.00 | 35377.00 | 13204.00 | 32464.00 | 14063.00 | 32565.00 | 29742.00 | 65849.00 | 39667.00 | 41456.14 | 29585.50 | 48059.33 | 22525.60 | 18137.00 | 26125.38 | 25160.80 | 33574.50 | 21601.00 | 32788.22 | 21044.43 | 30020.59 | 19980.20 | 31297.67 | 17364.36 | 27641.62 | 18981.95 | 26540.80 | 38530.50 | 28959.08 | 18938.06 | 37192.67 | 25219.00 | |
| HEXACOSANOIC ACID (M-H)- | 4827.00 | 3445.00 | 2046.00 | 3387.00 | 2339.00 | 1893.00 | 1783.50 | 5121.75 | 4449.00 | 2296.00 | 3924.00 | 4787.17 | 3323.00 | 4352.33 | 3754.00 | - | 8605.88 | 3332.33 | 4562.33 | 2495.00 | 3309.56 | 3215.57 | 2835.57 | 3565.00 | 3619.42 | 5210.93 | 3258.08 | 2772.25 | 2458.67 | 16476.25 | 4837.96 | 3836.59 | 2476.00 | 2942.50 | |
| HIPPURIC ACID (M-H)- | 346607.50 | 168866.00 | - | 485610.00 | 1843659.00 | 619755.00 | 651978.00 | 273570.25 | 343688.50 | 4030840.00 | 13447964.00 | 767283.33 | 1057991.33 | 1738225.00 | 1410980.40 | 202928.00 | 658025.62 | 702032.20 | 603722.60 | 953670.80 | 1290110.78 | 726844.14 | 383956.47 | 4243778.44 | 901946.07 | 537076.86 | 2711316.46 | 1037647.43 | 5690230.25 | 4312803.17 | 788263.40 | 501366.89 | 294418.67 | 321249.14 | |
| HYODEOXYCHOLIC ACID (M-H)- | 143309.00 | - | - | - | - | - | - | 98398.50 | 172186.00 | - | - | 290378.67 | 147362.40 | 60243.00 | 157969.00 | 130521.00 | 73169.50 | - | 109063.00 | 206384.00 | 126835.50 | 90467.50 | 68507.50 | 108194.80 | 113993.75 | 107379.11 | 101852.83 | 50674.40 | 196413.67 | 139120.75 | 181445.60 | 505138.21 | - | 270215.50 | |
| HYPOXANTHINE (M-H)- | 70924.00 | 47639.00 | 8405.00 | 101141.00 | 126989.00 | 49284.00 | 41459.50 | 59520.25 | 72131.50 | 80557.00 | 30126.00 | 52735.86 | 38588.00 | 39362.00 | 30099.75 | 40981.00 | 57098.00 | 55042.00 | 41020.83 | 74877.80 | 60124.33 | 31457.29 | 87411.65 | 51059.33 | 59225.00 | 55420.48 | 67479.38 | 51457.10 | 55120.25 | 43795.80 | 73674.40 | 54319.93 | 32910.67 | 75203.86 | |
| IBUPROFEN CARBOXYLIC ACID (2M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 799189.00 | - | 3389148.50 | - | 20355.00 | 2503351.00 | - | - | 2024603.50 | 4747449.00 | - | 1618735.00 | - | 4728451.00 | - | - | - | - | - | - | |
| IBUPROFEN CARBOXYLIC ACID (M+CL)- | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 132296.00 | - | 10471.00 | 197845.00 | - | - | 126073.00 | - | - | 149108.00 | - | 214891.00 | - | 3781.00 | - | - | - | - | |
| IBUPROFEN CARBOXYLIC ACID (M-H)- | 9158.00 | - | 12386.00 | - | - | - | 7773.50 | 18919595.00 | 8501.00 | 12040950.00 | 193010.00 | 55592.25 | 3111.33 | 236572.00 | 428647.00 | - | 2230282.80 | 422288.00 | 180922.00 | 2371494.33 | 12008.60 | 5735.33 | 1089738.62 | 978116.20 | 12002.00 | 584759.10 | 6859.50 | 1095272.18 | 91776.50 | 102186.00 | 495910.75 | 465071.56 | 79120.00 | 2035045.40 | |
| IBUPROFEN (M-H)- | 3640.00 | - | 12505.00 | - | - | - | - | 12040.00 | - | - | - | 13087.00 | - | - | 443890.00 | - | 1624547.67 | - | 30577.33 | 3234626.00 | 51727.00 | 3447.00 | 111415.75 | 437779.00 | 1923.00 | 264054.00 | 5056.33 | 382608.83 | - | 4278.00 | 1899188.17 | 545134.00 | - | 19295637.00 | |
| INOSINE 5^-DIPHOSPHATE (M-H)- | 2740.00 | 18152.00 | 9413.00 | - | - | - | - | - | - | - | - | 10990.00 | - | - | 16283.00 | - | 14736.00 | 19159.00 | 16362.00 | - | 12867.67 | 21827.00 | 17441.00 | 11876.00 | 16120.00 | 16575.75 | 26564.00 | 19931.86 | - | - | 16991.33 | 18082.33 | - | 12725.00 | |
| ISOCITRIC ACID (M-H)- | 211932.00 | 264207.00 | 234565.00 | 816412.00 | 3015863.00 | 220269.00 | 43852.50 | 317964.50 | 1010636.00 | 2488285.00 | 3895882.00 | 861272.86 | 613150.88 | 370593.67 | 1158215.00 | 35212.00 | 903576.50 | 1116860.80 | 717426.00 | 424240.40 | 744304.11 | 452145.43 | 886628.76 | 958257.90 | 879934.15 | 710787.00 | 1170831.33 | 834669.76 | 831027.50 | 652441.67 | 857735.08 | 866933.94 | 1223079.00 | 426840.80 | |
| ISOLEUCINE (M-H)- | 458208.00 | 711447.00 | 348427.00 | 239605.00 | 311929.00 | 272985.00 | 393967.00 | 180049.75 | 679166.00 | 103841.00 | 181064.00 | 273433.14 | 512662.38 | 316415.33 | 326618.80 | 259870.00 | 268027.62 | 364607.00 | 575400.83 | 407147.20 | 401313.89 | 325906.00 | 357780.71 | 398755.30 | 346825.13 | 356246.68 | 312397.38 | 314303.95 | 330944.50 | 460489.00 | 334431.20 | 436150.74 | 328540.00 | 438207.57 | |
| KYNURENIC ACID (M-H)- | 9482.00 | - | - | 6713.00 | 5192.00 | - | 2490.00 | 6119.33 | 9166.00 | 11732.00 | 13712.00 | 8000.00 | 8826.57 | 7224.50 | 7611.50 | 4978.00 | 8472.00 | 6242.50 | 6740.25 | 8342.75 | 5360.00 | 8130.00 | 8895.60 | 35071.83 | 8581.67 | 8460.93 | 29594.71 | 9880.70 | 38584.33 | 65394.40 | 7758.28 | 7658.10 | 10236.67 | 9008.33 | |
| L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | 49307.00 | 55265.00 | 66707.00 | 47048.00 | 55327.00 | 10341.00 | 55998.50 | 25974.33 | 43109.00 | 39026.00 | 30851.00 | 52694.86 | 50703.25 | 57260.33 | 52732.60 | 52528.00 | 53986.33 | 50159.40 | 47983.00 | 49459.20 | 54111.25 | 55309.43 | 57573.57 | 58149.56 | 51550.75 | 62360.67 | 45596.62 | 56286.14 | 52428.67 | 49137.20 | 47364.95 | 54728.06 | 21427.33 | 43773.57 | |
| LAURIC ACID (M-H)- | 32236.00 | 18445.00 | 38078.00 | 18779.00 | 9288.00 | 28932.00 | 15943.00 | 26099.50 | 37992.50 | 39588.00 | 19408.00 | 30992.57 | 17638.88 | 36930.67 | 19445.80 | 15693.00 | 27721.75 | 33966.00 | 25799.67 | 25125.20 | 32388.22 | 18776.43 | 35421.35 | 20847.30 | 24649.53 | 18464.33 | 27789.15 | 25584.71 | 24783.60 | 15818.83 | 31321.32 | 27975.00 | 21597.67 | 19166.29 | |
| L-HISTIDINE (M-H)- | 19659.50 | 27033.00 | 17432.00 | 22237.00 | 31676.00 | 17773.00 | 14031.50 | 16939.25 | 21494.50 | 18278.00 | 27911.00 | 20073.43 | 22104.12 | 15813.00 | 21614.20 | 16968.00 | 18611.75 | 24789.60 | 21404.33 | 22832.20 | 22293.44 | 19759.57 | 19592.94 | 22792.10 | 21208.67 | 22891.00 | 22152.77 | 19511.24 | 20008.75 | 21129.00 | 21468.36 | 23816.06 | 16540.33 | 21923.86 | |
| LIGNOCERIC ACID (M-H)- | 11830.50 | 8534.00 | 6186.00 | 8903.00 | 6776.00 | 4920.00 | 5733.50 | 10762.25 | 8127.00 | 6133.00 | 6529.00 | 10762.29 | 8526.38 | 11801.33 | 7549.40 | 3316.00 | 23800.88 | 7575.20 | 11442.83 | 6312.20 | 9080.89 | 8087.29 | 8452.18 | 9101.90 | 9106.07 | 11940.09 | 8467.85 | 8085.43 | 6034.40 | 22611.17 | 13429.80 | 9644.13 | 7827.33 | 8479.86 | |
| LINOLEIC ACID (M-H)- | 4213398.00 | 1455288.00 | 7035350.00 | 7359852.00 | 549485.00 | 7054737.00 | 2543538.50 | 4731926.75 | 1973091.00 | 3597637.00 | 1533612.00 | 5295839.71 | 1564751.12 | 5831322.00 | 1910301.80 | 925000.00 | 4461160.25 | 3988526.20 | 4192256.00 | 1976404.20 | 4120661.67 | 2135630.14 | 5230893.94 | 2244984.50 | 4870759.33 | 2470766.55 | 4041101.77 | 1964406.33 | 2973321.60 | 1902584.83 | 5169391.16 | 1820208.97 | 5001097.33 | 3176994.29 | |
| L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | 311922.50 | 315275.00 | 330942.00 | 338270.00 | 335478.00 | 346573.00 | 321438.50 | 321372.00 | 303751.00 | 313835.00 | 330649.00 | 309380.00 | 322262.75 | 320899.00 | 307758.80 | 337817.00 | 315763.38 | 324191.80 | 317051.67 | 318251.40 | 327375.67 | 320842.00 | 312310.82 | 313485.10 | 327171.47 | 345877.55 | 316868.77 | 320459.10 | 317091.50 | 303500.67 | 326083.76 | 326110.45 | 331906.67 | 325208.57 | |
| LYSINE (M-H)- | 2204.00 | - | - | - | 5524.00 | 2760.00 | - | 3106.00 | 2308.50 | - | - | 3506.33 | 6368.00 | 8695.00 | 5128.00 | - | 2942.00 | - | 2027.00 | 4228.50 | 4810.00 | 5285.33 | 3526.71 | 5246.00 | 4733.40 | 3740.00 | 4430.00 | 5459.43 | - | 9403.00 | 4764.57 | 5875.70 | 4296.00 | 3912.50 | |
| MALIC ACID (M-H)- | 25793.50 | 32269.00 | 30112.00 | 48273.00 | 76327.00 | 19090.00 | 9337.50 | 43756.67 | 41857.00 | - | - | 53248.40 | 31338.20 | 36399.50 | 54576.75 | 5902.00 | 30811.00 | 37345.00 | 62112.00 | 34623.20 | 50702.75 | 52623.67 | 53064.13 | 38457.50 | 41750.50 | 42100.93 | 52316.23 | 41356.89 | 53937.00 | 38106.75 | 54176.10 | 45105.87 | 39480.00 | 60163.80 | |
| MANDELIC ACID (M-H)- | - | - | - | - | 9947.00 | - | 10314.00 | 7801.00 | - | - | - | 11971.00 | 19047.00 | - | 10546.50 | - | - | - | 11371.00 | 20373.00 | - | 18252.00 | 27400.33 | 17928.33 | 8697.00 | 6179.00 | 26298.50 | 16876.57 | 44977.00 | 107039.00 | 12054.00 | 12137.25 | - | 8126.00 | |
| MEVALONIC ACID (M-H)- | - | - | - | - | - | - | - | 6325.00 | - | - | - | - | 21144.00 | - | 1236.00 | - | - | - | 21176.00 | - | - | - | 13063.00 | 42583.00 | - | 13282.00 | - | 12652.00 | 26852.00 | 19774.33 | 9087.33 | 27316.33 | - | 16209.00 | |
| MYRISTIC ACID (M-H)- | 154988.00 | 67897.00 | 281602.00 | 177472.00 | 68554.00 | 159443.00 | 79010.00 | 185223.25 | 133599.00 | 287539.00 | 134133.00 | 191340.86 | 112372.50 | 232056.00 | 106396.40 | 82856.00 | 140148.50 | 149552.40 | 170941.67 | 99035.60 | 159999.67 | 100267.00 | 189382.35 | 106191.40 | 148571.20 | 89213.68 | 152781.92 | 91488.05 | 139701.60 | 146385.50 | 176191.48 | 100975.00 | 135760.33 | 117009.86 | |
| MYRISTOLEIC ACID (M-H)- | 37328.50 | 10993.00 | 78123.00 | 27312.00 | 2306.00 | 25171.00 | 12635.00 | 46410.25 | 28587.00 | 67138.00 | 26925.00 | 35915.00 | 13201.88 | 47056.00 | 19439.00 | 10641.00 | 30946.75 | 33214.60 | 43917.50 | 10659.40 | 43127.44 | 22035.43 | 43619.29 | 20924.50 | 30933.33 | 16856.65 | 29208.08 | 12577.10 | 31399.00 | 33493.50 | 33915.40 | 14451.17 | 18514.67 | 16886.57 | |
| N-ACETYL-DL-METHIONINE (M-H)- | 14948.00 | 10794.00 | 14164.00 | 10165.00 | 11438.00 | 11922.00 | 10074.00 | 10666.00 | 12186.50 | 19467.00 | 22629.00 | 15083.00 | 11692.57 | 11148.00 | 11446.00 | - | 10798.29 | 9177.80 | 10726.33 | 9510.60 | 10092.12 | 11805.86 | 13285.80 | 16755.67 | 12226.64 | 11327.76 | 17033.83 | 12246.56 | 27983.67 | 28292.00 | 11527.83 | 11727.86 | 12788.00 | 14571.67 | |
| N-ACETYL-D-TRYPTOPHAN (M-H)- | 12178.00 | 13487.00 | 8195.00 | 4870.00 | 7973.00 | - | 5343.00 | 6869.00 | 4568.50 | 4280.00 | 11914.00 | 9586.43 | 8112.88 | 8210.33 | 8492.60 | 9706.00 | 5815.00 | 6806.00 | 11280.80 | 6918.80 | 7406.75 | 7720.50 | 10237.50 | 18266.11 | 7613.89 | 8089.12 | 15523.11 | 10469.67 | 14536.00 | 15459.67 | 6884.10 | 8263.48 | 5064.50 | 7835.14 | |
| N-ACETYLGLYCINE (M-H)- | 1814.00 | 25202.00 | 15210.00 | 36384.00 | 51378.00 | - | 27677.00 | 45643.00 | 78116.00 | - | - | 47183.00 | 40681.00 | - | 56253.25 | 24763.00 | 41597.50 | 30508.50 | 30312.67 | 46962.00 | 24480.33 | 46649.25 | 40223.70 | 48142.00 | 50218.20 | 51210.11 | 48683.71 | 46151.08 | 43996.33 | 45270.00 | 31087.00 | 30863.36 | 66903.00 | 64644.00 | |
| N-ACETYL-L-ALANINE (M-H)- | 96744.50 | 76840.00 | 90399.00 | 99053.00 | 82764.00 | 79198.00 | 62053.00 | 74771.75 | 93525.50 | 119268.00 | 104364.00 | 113996.83 | 78782.62 | 76701.00 | 90538.20 | 50220.00 | 75648.62 | 85735.00 | 80219.50 | 87880.00 | 92655.56 | 93549.43 | 81442.71 | 77498.80 | 93628.13 | 74308.73 | 92829.85 | 85097.10 | 98157.75 | 106012.00 | 83015.76 | 76188.77 | 120281.67 | 103011.00 | |
| N-ACETYL-L-PHENYLALANINE (M-H)- | - | - | - | - | - | - | - | - | 9550.00 | - | - | 15786.00 | 12749.50 | 14048.00 | - | - | 5430.00 | - | 11724.00 | 7099.00 | - | 6712.00 | - | 6775.00 | 8041.00 | 5652.00 | 9202.25 | 6396.00 | - | 14613.00 | 8497.75 | 12593.00 | - | - | |
| NAPROXEN (M-H)- | - | 2749842.00 | - | - | - | 186555.00 | - | - | 580584.00 | - | - | 329918.00 | 4468541.00 | - | - | - | - | - | - | - | 603917.00 | - | - | - | 880694.00 | 1212775.50 | 39378.00 | - | - | - | 119493.00 | 665651.00 | - | 995716.50 | |
| NERVONIC ACID (M-H)- | 19403.50 | 10992.00 | 12247.00 | 17872.00 | 5322.00 | 18345.00 | 8148.50 | 19827.25 | 20043.50 | 19204.00 | 13502.00 | 22563.71 | 12444.38 | 21365.33 | 14467.40 | 3893.00 | 16737.62 | 10964.20 | 24020.17 | 10689.20 | 15370.11 | 13104.57 | 17463.18 | 10414.00 | 17751.53 | 13773.23 | 15975.77 | 11852.00 | 18355.33 | 14409.33 | 20119.36 | 13320.61 | 21892.67 | 14229.29 | |
| N-ETHYLMALEIMIDE (M-H)- | 26822.00 | - | - | - | - | - | - | - | 34246.00 | - | - | - | 44372.00 | 49414.00 | - | - | - | - | - | 40924.00 | - | - | 2853.00 | - | 40947.00 | - | 52315.00 | 21007.50 | - | - | 31797.00 | 34274.50 | - | - | |
| OXALIC ACID (M-H)- | - | - | - | - | - | 10426.00 | 6379.00 | 17203.00 | 25627.00 | - | - | 26177.00 | - | - | 14035.00 | - | 22079.00 | - | 38468.00 | 32941.00 | - | - | 17806.67 | 31107.33 | 8362.00 | 37198.50 | 25079.67 | 40154.67 | - | - | 35390.33 | 22113.20 | 6310.00 | 23488.50 | |
| OXALOACETIC ACID (M-H)-[-H2O] | 399168.50 | 398024.00 | 430205.00 | 424523.00 | 401958.00 | 318045.00 | 637304.00 | 418316.75 | 385408.50 | 433168.00 | 423279.00 | 404739.86 | 397406.00 | 392983.33 | 396107.80 | 359564.00 | 403148.62 | 412044.00 | 385979.17 | 389581.00 | 383076.56 | 381628.29 | 398497.12 | 386479.30 | 387769.47 | 394589.95 | 417043.54 | 399853.81 | 377914.00 | 406764.33 | 397092.28 | 403704.52 | 411212.67 | 398967.14 | |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M-H)- | - | - | - | - | - | - | - | - | - | - | 10049.00 | - | 3201.00 | 149458.00 | 834358.67 | - | - | 73360.00 | - | - | 566055.00 | 606095.00 | 685030.33 | 1281405.00 | 327164.33 | 2619.00 | 326969.00 | 1408085.50 | 17722.50 | 369716.33 | 280997.50 | 303918.00 | 19201.00 | 277466.00 | |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- | 81914.00 | - | - | - | 81323.00 | - | - | 86554.00 | - | - | 309812.00 | - | 285060.00 | 2448216.00 | 3558202.50 | - | 76556.50 | 800222.00 | - | 22586.50 | 2169574.00 | 3444838.00 | 2777468.83 | 2758331.00 | 1992874.00 | 114185.00 | 1421288.00 | 2767263.83 | 434459.50 | 2697036.33 | 889127.50 | 1439199.00 | 574207.00 | 1837529.80 | |
| PALMITIC ACID (M-H)- | 1724135.50 | 460905.00 | 3270186.00 | 3241149.00 | 213689.00 | 3073473.00 | 910476.50 | 2288690.25 | 936422.50 | 2827930.00 | 917417.00 | 2637713.00 | 676266.00 | 2733281.67 | 838076.80 | 327067.00 | 1738593.75 | 1561004.40 | 2130357.50 | 722354.60 | 1919075.78 | 893762.29 | 2311578.00 | 804085.70 | 1912685.40 | 836100.23 | 1822273.54 | 641961.76 | 1267435.20 | 950061.33 | 2340285.08 | 707864.74 | 1967329.33 | 1436298.29 | |
| PALMITOLEIC ACID (M-H)- | 590476.50 | 179663.00 | 1183484.00 | 535621.00 | 61254.00 | 656406.00 | 267260.00 | 756385.00 | 406838.50 | 1061211.00 | 381439.00 | 799369.57 | 250282.25 | 973393.33 | 380412.60 | 162908.00 | 608567.50 | 623545.80 | 783796.33 | 274045.40 | 752672.67 | 373893.57 | 740935.65 | 315631.00 | 653187.07 | 300663.45 | 585756.77 | 246906.71 | 507527.80 | 683520.83 | 644970.52 | 236382.16 | 476042.67 | 402895.86 | |
| PANTOTHENIC ACID (M-H)- | 29864.00 | 32006.00 | 26524.00 | 26493.00 | 23000.00 | 19505.00 | 31644.50 | 27831.75 | 19816.00 | 51805.00 | 61459.00 | 61329.43 | 42242.12 | 45735.67 | 39971.80 | 26899.00 | 25542.38 | 27349.60 | 44108.33 | 39972.60 | 35597.56 | 40533.29 | 41177.06 | 40336.50 | 51432.50 | 36630.86 | 35886.46 | 39647.67 | 45455.50 | 54633.40 | 50240.44 | 35789.19 | 48774.33 | 32369.29 | |
| PHENYLALANINE (M-H)- | 1217788.50 | 1267442.00 | 1308856.00 | 1077847.00 | 1619331.00 | 1181133.00 | 1455302.50 | 1095057.75 | 1129484.50 | 1225996.00 | 1364931.00 | 1054060.57 | 1164181.50 | 1110298.00 | 1097522.80 | 895168.00 | 1113476.00 | 1108816.80 | 1149266.50 | 1035883.00 | 1212687.33 | 1318074.71 | 1189642.88 | 1175842.00 | 1135143.20 | 1261932.33 | 1101268.62 | 1145004.14 | 1011467.25 | 1275055.00 | 1160737.88 | 1239325.74 | 1195598.00 | 1144314.71 | |
| PHYTANIC ACID (M-H)- | 19458.50 | 5247.00 | 12633.00 | 13740.00 | 4616.00 | 16380.00 | 9351.00 | 29027.75 | 21369.50 | 42137.00 | 22194.00 | 20791.29 | 13804.12 | 15605.33 | 12576.20 | 10283.00 | 12507.71 | 9075.40 | 20371.67 | 10251.40 | 13623.78 | 10039.29 | 15651.65 | 9152.30 | 15182.07 | 9461.68 | 14435.69 | 10519.70 | 10894.40 | 9703.33 | 15416.48 | 9734.45 | 15794.00 | 11929.33 | |
| PYRUVIC ACID (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | 2747.00 | - | 3261.00 | 8540.00 | 5143.00 | - | 1865.00 | - | 10274.00 | 2254.00 | 6785.50 | 2760.50 | 56158.00 | 16407.00 | 6429.00 | 9923.00 | 7653.00 | 8187.00 | 4738.00 | 10437.50 | - | 963.00 | |
| SALICYLATE #2 (M-H)- | 43026.00 | - | - | 258507.00 | 724210.00 | 45433.00 | 95058.00 | 131258.67 | 376417.00 | 8045019.00 | 112342.00 | 493196.00 | 1511044.71 | 6181543.00 | 112230.33 | 21296.00 | 444547.29 | 94827.67 | 729692.00 | 99709.00 | 82874.67 | 77973.20 | 72622.22 | 60808.57 | 60779.10 | 108141.94 | 573401.75 | 3022108.23 | 40060.00 | 70939.00 | 1296096.50 | 336634.41 | 2516451.00 | 66269.00 | |
| SALICYLURIC ACID (M-H)- | - | 11302.00 | 12404.00 | 22742.00 | 107258.00 | - | - | 32231.00 | 75989.00 | 469191.00 | 3972.00 | 60741.75 | 196531.67 | 254949.00 | 53054.00 | - | 86586.00 | 5833.00 | 222630.00 | 26228.00 | 4069.00 | 6361.75 | 12991.60 | 254894.00 | 5794.50 | 12051.50 | 170623.20 | 1316063.14 | 32658.00 | 86461.00 | 212927.90 | 97165.56 | 235546.00 | 18718.50 | |
| SEBACIC ACID (M-H)- | 28632.00 | 27605.00 | 26107.00 | 26234.00 | 18304.00 | 28357.00 | 220786.00 | 29835.75 | 27387.00 | 86915.00 | 25082.00 | 41776.50 | 22181.62 | 45604.33 | 24477.40 | 16562.00 | 25903.25 | 26172.20 | 23867.33 | 21236.00 | 27437.22 | 17908.86 | 33480.41 | 28127.30 | 26904.36 | 21287.14 | 25916.00 | 21945.38 | 28095.50 | 27808.17 | 46292.16 | 23142.35 | 20162.00 | 21804.71 | |
| STEARIC ACID (M-H)- | 800140.00 | 429984.00 | 715793.00 | 973327.00 | 235603.00 | 900993.00 | 327044.00 | 846250.00 | 557209.50 | 804652.00 | 611936.00 | 952623.57 | 472446.62 | 1042272.00 | 471269.80 | 281049.00 | 756084.88 | 539141.80 | 854825.17 | 402206.80 | 678245.33 | 482869.43 | 814294.65 | 435385.20 | 808069.40 | 477824.32 | 736329.54 | 404594.38 | 557725.40 | 379639.83 | 984743.60 | 459265.77 | 779724.33 | 618973.57 | |
| SUBERIC ACID (M-H)- | 27860.00 | - | 21788.00 | 20297.00 | 22218.00 | 20182.00 | 133019.00 | 39706.25 | 19843.50 | 34763.00 | 17484.00 | 27233.29 | 21873.62 | 20529.67 | 20738.60 | 11205.00 | 23265.29 | 33638.40 | 21237.33 | 20947.40 | 35619.89 | 17521.57 | 22951.76 | 50910.20 | 23127.53 | 21326.38 | 28671.23 | 23732.33 | 40002.75 | 78702.33 | 24587.84 | 29207.33 | 23550.33 | 17941.57 | |
| SUCCINIC ACID (M-H)- | 106882.50 | 95279.00 | 56509.00 | 51690.00 | 121860.00 | 86283.00 | 108565.50 | 79704.50 | 118193.50 | 98735.00 | 121269.00 | 88878.29 | 97476.50 | 92311.33 | 88742.00 | 85433.00 | 86285.88 | 107541.80 | 65052.83 | 90109.20 | 99636.00 | 91644.14 | 81154.29 | 84217.70 | 90631.53 | 96974.27 | 84701.46 | 95603.38 | 91087.25 | 118247.17 | 89615.80 | 94468.32 | 73806.67 | 69529.43 | |
| TAUROLITHOCHOLIC ACID (M-H)- | 10042.00 | 12253.00 | 34227.00 | 20842.00 | 25091.00 | 20243.00 | 15394.50 | 22951.00 | 33828.50 | - | 61416.00 | 20812.00 | 14647.00 | 14875.50 | 18930.00 | - | 21000.75 | 18237.67 | 20691.80 | 26632.00 | 21695.00 | 17697.17 | 20736.90 | 17955.43 | 18648.78 | 18089.15 | 19660.57 | 20137.27 | - | 22271.00 | 21754.64 | 20006.47 | 51250.00 | 17101.75 | |
| THEOPHYLLINE (M-H)- | 71801.00 | 72721.00 | 183373.00 | 130612.00 | 126205.00 | 6992.00 | 80214.50 | 97304.00 | 40649.00 | 159934.00 | 232647.00 | 55214.83 | 56459.12 | 43273.00 | 92990.00 | 63433.00 | 41162.14 | 88082.20 | 64486.40 | 106120.00 | 55963.22 | 85624.29 | 113440.00 | 78161.88 | 91483.64 | 41046.29 | 97933.00 | 90627.38 | 64027.00 | 61221.67 | 65888.74 | 58913.43 | 69168.00 | 96842.57 | |
| THYROXINE (M-H)- | 20292.50 | 22534.00 | 25048.00 | 22648.00 | 21812.00 | 20012.00 | 19114.00 | 19558.25 | 24729.50 | 10905.00 | 12662.00 | 20177.86 | 21609.50 | 16532.67 | 20235.40 | 21641.00 | 17103.62 | 17471.20 | 18334.67 | 16456.20 | 19349.56 | 18965.71 | 20075.29 | 19490.10 | 22243.60 | 22838.59 | 20022.23 | 20291.05 | 17146.50 | 18833.17 | 20886.20 | 20164.58 | 18432.00 | 18363.57 | |
| TRANS-ACONITIC ACID (M-H)- | 248509.00 | - | - | 351980.00 | 292528.00 | 273980.00 | 223113.00 | 335000.50 | 271403.50 | 292704.00 | 279234.00 | 351172.50 | 272307.62 | 291982.50 | 300075.00 | 250147.00 | 287508.86 | 277788.33 | 263639.25 | 203997.60 | 207058.25 | 225270.60 | 301080.67 | 288777.50 | 275347.85 | 224264.22 | 290971.64 | 238255.00 | 436898.25 | 355991.17 | 327968.43 | 242833.15 | 400404.00 | 300536.50 | |
| TRICOSANOIC ACID (M-H)- | 4192.50 | 2550.00 | 2064.00 | 2453.00 | - | - | 2245.00 | 5106.50 | 3693.00 | - | - | 3792.00 | 2757.40 | 3490.33 | 2193.75 | - | 4172.75 | 2671.67 | 3533.25 | 3113.00 | 3303.00 | 2572.75 | 2487.56 | 2845.00 | 3496.88 | 3337.20 | 3478.50 | 2824.23 | 2164.00 | 2014.00 | 3971.50 | 4060.00 | 2696.50 | - | |
| TRIDECANOIC ACID (M-H)- | 4375.50 | - | 4911.00 | 4351.00 | 3163.00 | 4922.00 | 3105.00 | 8272.00 | 4831.00 | - | - | 5189.25 | 5130.00 | 7397.00 | 3863.67 | - | 7836.67 | 3940.50 | 5520.40 | 6247.50 | 4197.50 | 4041.00 | 5901.42 | 6389.75 | 7140.00 | 4811.12 | 6154.00 | 4535.18 | - | 4673.00 | 5786.14 | 4989.50 | 9141.00 | 4205.00 | |
| TRYPTOPHAN (2M-H)- | 311949.00 | 212421.00 | 242027.00 | 283697.00 | 630767.00 | 219820.00 | 432705.00 | 332261.75 | 344636.00 | 257860.00 | 487735.00 | 290980.00 | 423343.00 | 279257.33 | 422844.20 | 574052.00 | 297043.00 | 357494.40 | 401949.33 | 410835.00 | 355671.33 | 504129.14 | 361982.59 | 366532.20 | 364046.53 | 442421.68 | 311090.38 | 439947.71 | 260716.50 | 449039.67 | 344476.88 | 460317.35 | 297452.33 | 467159.29 | |
| TRYPTOPHAN (M-H)- | 2055001.50 | 1633069.00 | 1792835.00 | 1967104.00 | 3189752.00 | 1741684.00 | 2561752.50 | 2105069.75 | 2196968.50 | 1852366.00 | 2717030.00 | 1951043.29 | 2471398.62 | 1879937.33 | 2447561.80 | 3084277.00 | 1966778.88 | 2234954.60 | 2389496.33 | 2441985.60 | 2219301.00 | 2766425.29 | 2220458.71 | 2235562.90 | 2239209.93 | 2539515.41 | 2023152.00 | 2537001.57 | 1826155.00 | 2514416.50 | 2173418.00 | 2622750.65 | 1980112.33 | 2608629.57 | |
| TYROSINE (M-H)- | 452799.50 | 628906.00 | 316937.00 | 416373.00 | 757679.00 | 266351.00 | 611943.00 | 393931.75 | 363003.50 | 283553.00 | 363419.00 | 333994.14 | 553080.00 | 437528.00 | 475862.80 | 453741.00 | 449128.12 | 426007.20 | 436574.50 | 520792.40 | 454258.56 | 583767.29 | 385587.71 | 448969.00 | 396048.13 | 500201.36 | 406421.38 | 514647.67 | 383148.00 | 489294.50 | 401809.88 | 503194.03 | 423645.67 | 527135.57 | |
| URIC ACID (M-H)- | 4077684.50 | 776704.00 | 1731280.00 | 6923890.00 | 7231766.00 | - | 3998447.50 | 5436593.00 | 6744653.50 | 5103972.00 | 13165730.00 | 4349322.50 | 3899747.62 | 1434991.33 | 8228267.20 | 1693743.00 | 4809403.12 | 6055023.60 | 4176201.00 | 2855839.00 | 4366826.78 | 3959040.00 | 4670622.82 | 3473252.60 | 3478532.53 | 4255728.18 | 5308362.85 | 5052204.62 | 2921209.50 | 5476300.50 | 4178792.33 | 3775632.77 | 6969375.00 | 5335204.57 | |
| URIDINE (M+CL)- | 983780.50 | 1195903.00 | 1217285.00 | 859598.00 | 1739821.00 | 1899977.00 | 1445528.00 | 1133866.75 | 1220796.50 | 1096963.00 | 1377053.00 | 1286621.71 | 1569987.38 | 1550487.67 | 1211123.60 | 892131.00 | 1090296.88 | 1393730.80 | 1600603.17 | 1622304.60 | 1240968.89 | 1086967.00 | 1355304.12 | 1401474.50 | 1230496.13 | 1274453.68 | 1312274.46 | 1105669.57 | 921163.50 | 1143491.40 | 1295986.48 | 1301462.94 | 1328397.67 | 1612896.14 | |
| URIDINE (M-H)- | 134554.00 | 80148.00 | 64495.00 | 48879.00 | 95072.00 | 204888.00 | 148608.50 | 207897.33 | 1009072.00 | 62288.00 | 545431.00 | 147214.80 | 166923.29 | 113060.00 | 168874.50 | 86106.00 | 96054.38 | 103955.20 | 291580.00 | 113566.60 | 92617.00 | 107187.29 | 114619.65 | 125250.90 | 118588.33 | 113297.71 | 200250.17 | 78819.00 | 110432.75 | 96949.50 | 180432.26 | 180116.71 | 136084.33 | 107463.40 | |
| VALINE (M-H)- | 12396.00 | - | - | - | - | - | - | 7449.67 | 6705.00 | 9155.00 | 8483.00 | 7294.50 | 13346.62 | 12374.00 | 6681.00 | 9516.00 | 10146.20 | 13061.00 | 15230.33 | 15248.33 | 16128.67 | 15860.50 | 12830.00 | 11001.60 | 10306.57 | 9456.43 | 10429.00 | 13726.62 | 7665.50 | 10759.50 | 11631.93 | 12323.95 | 4489.00 | 14703.00 | |
| XANTHINE (M-H)- | 42001.50 | 47862.00 | 115905.00 | 66854.00 | 30540.00 | 122265.00 | 95542.50 | 92275.75 | 44284.50 | 56448.00 | 47217.00 | 88950.00 | 45825.38 | 69600.33 | 47800.60 | 39272.00 | 64583.62 | 62135.20 | 94168.50 | 56200.80 | 72251.78 | 41703.29 | 115756.41 | 58046.70 | 74927.13 | 58158.86 | 78071.08 | 56120.65 | 65617.00 | 41086.20 | 165586.75 | 52769.90 | 59102.33 | 61458.00 | |
| ZEATIN [ISTD] (M+CL)- | 201065.50 | 194062.00 | 220877.00 | 213276.00 | 219246.00 | 208863.00 | 210423.50 | 218159.00 | 196964.00 | 198024.00 | 169404.00 | 208995.43 | 207170.00 | 189741.67 | 206730.80 | 221919.00 | 197536.62 | 209855.40 | 198782.67 | 181598.80 | 206348.78 | 206237.14 | 204855.88 | 190855.10 | 208799.40 | 214068.23 | 189853.00 | 196711.90 | 208755.25 | 204633.00 | 200943.68 | 202793.97 | 196916.33 | 202224.14 | |
| ZEATIN [ISTD] (M-H)- | 97076.50 | 100960.00 | 101365.00 | 105128.00 | 104401.00 | 101712.00 | 102281.00 | 102767.75 | 96449.50 | 92315.00 | 83506.00 | 100824.00 | 97233.25 | 98769.00 | 95841.80 | 107810.00 | 98452.75 | 98466.20 | 91187.17 | 86412.00 | 99692.33 | 94757.14 | 96507.41 | 90790.50 | 100598.60 | 102228.14 | 89657.62 | 92001.86 | 92625.80 | 84340.00 | 95619.56 | 96703.10 | 86432.00 | 97104.14 |
Factors:
| F1 | CT findings:Abnormal only | GOSE:4 | Gender:Male | Injury:1 month |
| F2 | CT findings:Abnormal only | GOSE:4 | Gender:Male | Injury:3 months |
| F3 | CT findings:Abnormal only | GOSE:5 | Gender:Female | Injury:1 month |
| F4 | CT findings:Abnormal only | GOSE:5 | Gender:Male | Injury:1 month |
| F5 | CT findings:Abnormal only | GOSE:5 | Gender:Male | Injury:3 months |
| F6 | CT findings:Abnormal only | GOSE:6 | Gender:Female | Injury:1 month |
| F7 | CT findings:Abnormal only | GOSE:6 | Gender:Female | Injury:3 months |
| F8 | CT findings:Abnormal only | GOSE:6 | Gender:Male | Injury:1 month |
| F9 | CT findings:Abnormal only | GOSE:6 | Gender:Male | Injury:3 months |
| F10 | CT findings:Abnormal only | GOSE:7 | Gender:Female | Injury:1 month |
| F11 | CT findings:Abnormal only | GOSE:7 | Gender:Female | Injury:3 months |
| F12 | CT findings:Abnormal only | GOSE:7 | Gender:Male | Injury:1 month |
| F13 | CT findings:Abnormal only | GOSE:7 | Gender:Male | Injury:3 months |
| F14 | CT findings:Abnormal only | GOSE:8 | Gender:Male | Injury:1 month |
| F15 | CT findings:Abnormal only | GOSE:8 | Gender:Male | Injury:3 months |
| F16 | CT findings:Normal | GOSE:4 | Gender:Male | Injury:3 months |
| F17 | CT findings:Normal | GOSE:5 | Gender:Female | Injury:1 month |
| F18 | CT findings:Normal | GOSE:5 | Gender:Female | Injury:3 months |
| F19 | CT findings:Normal | GOSE:5 | Gender:Male | Injury:1 month |
| F20 | CT findings:Normal | GOSE:5 | Gender:Male | Injury:3 months |
| F21 | CT findings:Normal | GOSE:6 | Gender:Female | Injury:1 month |
| F22 | CT findings:Normal | GOSE:6 | Gender:Female | Injury:3 months |
| F23 | CT findings:Normal | GOSE:6 | Gender:Male | Injury:1 month |
| F24 | CT findings:Normal | GOSE:6 | Gender:Male | Injury:3 months |
| F25 | CT findings:Normal | GOSE:7 | Gender:Female | Injury:1 month |
| F26 | CT findings:Normal | GOSE:7 | Gender:Female | Injury:3 months |
| F27 | CT findings:Normal | GOSE:7 | Gender:Male | Injury:1 month |
| F28 | CT findings:Normal | GOSE:7 | Gender:Male | Injury:3 months |
| F29 | CT findings:Normal | GOSE:8 | Gender:Female | Injury:1 month |
| F30 | CT findings:Normal | GOSE:8 | Gender:Female | Injury:3 months |
| F31 | CT findings:Normal | GOSE:8 | Gender:Male | Injury:1 month |
| F32 | CT findings:Normal | GOSE:8 | Gender:Male | Injury:3 months |
| F33 | CT findings:Normal | GOSE:NA | Gender:Female | Injury:1 month |
| F34 | CT findings:Normal | GOSE:NA | Gender:Male | Injury:1 month |
