Data for ST000763
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 16:0-18:0 PC (M+CL)- | 10326.47 | 8833.00 | 10544.71 | 14045.25 | 10406.63 | 13784.50 | 11189.14 | 5729.00 | 13371.00 | 13424.67 | 11864.47 | 10200.33 | 9978.03 | 8939.00 | 11380.65 | 14460.50 | 11960.25 | 16330.00 | 11588.77 | 10938.00 | |
| 18:0 LYSO-PE (M-H)- | 315266.90 | 320938.00 | 150014.57 | 82114.67 | 149778.64 | 86449.50 | 374955.29 | 190430.00 | 219915.08 | 192381.00 | 178392.40 | 202666.67 | 147780.59 | 107088.00 | 134001.77 | 81590.50 | 153048.60 | 247080.00 | 219812.92 | 162389.00 | |
| 1-METHYLADENOSINE (M+CL)- | 17413.00 | 12860.50 | 15669.24 | 13962.00 | 15393.40 | 20033.50 | 20385.57 | 21212.00 | 19488.08 | 19468.50 | 16810.17 | 11311.67 | 13366.44 | 12235.33 | 16931.27 | 22724.00 | 17087.86 | 15527.00 | 14615.25 | 15471.00 | |
| 1-METHYLURIC ACID (2M-H)- | 20113.55 | 8606.00 | 30269.71 | 42136.00 | 33715.64 | 2468.00 | 47505.75 | - | 35768.57 | 15757.00 | 19469.50 | - | 11438.07 | 50841.50 | 26404.44 | 2486.00 | 3052.25 | - | 52498.00 | 17746.67 | |
| 1-METHYLURIC ACID (M-H)- | 292839.20 | - | 199334.25 | 153269.00 | 399652.00 | 307050.00 | 177237.00 | - | 334816.86 | 438032.00 | 291987.00 | - | 260311.00 | - | 419546.50 | 334187.00 | 212746.33 | - | 511187.00 | 499802.00 | |
| 1-METHYLXANTHINE (M-H)- | 166053.22 | 73413.33 | 241032.65 | 105321.67 | 248792.06 | 173194.50 | 145286.67 | - | 191386.31 | 331277.33 | 184286.88 | 10676.50 | 242387.75 | 232032.67 | 261879.42 | 189970.50 | 95829.89 | 1285.00 | 295100.43 | 148484.33 | |
| 2-DEOXY-D-GLUCOSE (M+CL)- | 214753.18 | 300168.33 | 236637.80 | 224629.33 | 169900.53 | 175960.50 | 178536.57 | 109970.00 | 281796.08 | 201838.00 | 213974.18 | 266766.67 | 143862.20 | 124881.33 | 149655.47 | 122682.50 | 160048.71 | 142626.00 | 174816.55 | 155040.50 | |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- | 925736.00 | 7877234.00 | 1469288.64 | 3674661.00 | 1381616.40 | 1926427.00 | 1181175.89 | 1621429.00 | 1526756.53 | 2543182.00 | 1011290.44 | 781847.67 | 1315708.24 | 1280815.50 | 1399909.50 | 2012117.50 | 961639.56 | 1494070.00 | 1535850.20 | 9375781.00 | |
| 2-METHYLMALEIC ACID (M-H)- | 68763.00 | 101647.33 | 97473.86 | 158635.67 | 134565.57 | 30612.00 | 55725.33 | 7304.00 | 115200.00 | 103889.50 | 92724.36 | 67480.50 | 99557.10 | 205494.00 | 91400.62 | 39089.00 | 52686.00 | - | 63947.50 | 116845.50 | |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)- | 20930.00 | 16523.67 | 19829.00 | 22486.67 | 21196.00 | 20569.00 | 15542.33 | - | 22771.00 | 25304.50 | 16666.25 | 21271.33 | 16858.69 | 29239.00 | 14462.82 | 25878.00 | 21074.67 | - | 20133.71 | 15237.50 | |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- | 137430.44 | 143496.33 | 135789.52 | 73222.00 | 187016.90 | 131450.00 | 141935.56 | 244503.00 | 162286.69 | 163939.33 | 117185.94 | 71896.33 | 157701.15 | 222724.50 | 144035.05 | 169810.50 | 123823.78 | 290596.00 | 162569.79 | 236105.67 | |
| 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- | 92557.00 | 80613.00 | 50215.50 | 63449.00 | 70605.11 | 56633.00 | 73408.80 | 103645.00 | 138750.30 | - | 79170.14 | 121123.50 | 82838.85 | 64363.00 | 89490.78 | 93256.50 | 86321.80 | 59681.00 | 129383.00 | - | |
| 3-METHOXYTYROSINE (M-H)- | 48515.50 | - | 4685.33 | - | 4154.33 | - | 4654.67 | 6329.00 | 4290.75 | - | 61908.67 | - | 4743.88 | - | 6413.00 | - | 4159.00 | 4788.00 | 4852.20 | - | |
| 4-ACETAMINOPHEN SULFATE (M-H)- | 1409465.62 | 335549.50 | 1100310.00 | 8239624.00 | 1053609.00 | 1150399.50 | 26878950.60 | - | 478112.00 | - | 6231150.71 | 855872.00 | 455460.25 | 21234.00 | 11303713.80 | 1124050.00 | 156357.17 | - | 1128210.33 | - | |
| 4-HYDROXYPHENYLACETIC ACID (M-H)- | 11542.00 | 2883.00 | 5684.89 | 4068.33 | 6402.57 | 1185.00 | 11540.50 | - | 13219.33 | 4511.50 | 8810.00 | 3976.50 | 6853.33 | 3308.00 | 8341.00 | - | 11375.50 | - | 8504.50 | 6283.00 | |
| 4-NITROPHENOL (M-H)- | 48127.39 | 48168.00 | 46687.42 | 41324.25 | 46394.80 | 62685.50 | 54716.33 | 60675.00 | 50053.88 | 54214.67 | 52041.83 | 53151.00 | 48264.27 | 39291.50 | 46753.70 | 58865.50 | 48871.67 | 34220.00 | 53715.93 | 39089.67 | |
| 4-PYRIDOXIC ACID (M-H)- | 224769.50 | 337438.33 | 515669.19 | 318910.50 | 681924.26 | 418259.50 | 439515.00 | 165080.00 | 213928.00 | 274563.00 | 282888.56 | 434498.67 | 460148.66 | 480066.50 | 637316.80 | 445035.00 | 352908.44 | 162463.00 | 258303.40 | 335410.33 | |
| 5-HYDROXY OMEPRAZOLE (M-H)- | 409617.23 | 754474.50 | 846985.60 | 2946.00 | 780424.20 | 914830.00 | 1431001.86 | 793017.00 | 1251315.12 | 308515.00 | 527211.92 | 1047486.67 | 622122.40 | 936040.00 | 1045167.20 | 956309.50 | 1283454.33 | 780476.00 | 1021946.38 | 231358.00 | |
| 5-HYDROXYTRYPTOPHAN (M-H)- | 19888.88 | 14896.33 | 17297.73 | 13059.75 | 22374.75 | 12142.50 | 23910.88 | - | 22472.29 | 18853.67 | 21449.67 | 13655.33 | 14047.55 | 11484.67 | 19422.25 | 13656.50 | 25802.71 | - | 19024.60 | 23896.00 | |
| 5-OXOPROLINE (M-H)- | 1626118.50 | 1494033.00 | 1508326.08 | 1496535.50 | 1574788.20 | 1407341.00 | 1940045.67 | - | 1908081.71 | 1325100.50 | 1505987.00 | 1182991.67 | 1160210.87 | 1155302.67 | 1605488.64 | 1360408.00 | 1297962.00 | - | 1336876.83 | 1280465.50 | |
| ACETAMINOPHEN (TN TYLENOL) (M-H)- | 221513.00 | 28560.00 | 75510.67 | 40506.00 | 172634.25 | 157452.00 | 154026.50 | - | 17577.00 | - | 160811.25 | 24531.50 | 18656.67 | - | 175910.80 | 131235.00 | 16313.00 | - | 17206.00 | - | |
| ADENOSINE 5^-MONOPHOSPHATE (M-H)- | 9523.00 | 11499.00 | 10201.33 | 11314.00 | 12699.71 | 13529.00 | 8323.00 | - | 12252.56 | - | 13037.14 | 13787.50 | 11894.55 | 10462.00 | 16603.12 | 17657.00 | 7860.00 | 5860.00 | 18646.12 | - | |
| ADIPIC ACID (M-H)- | 32057.78 | 27884.33 | 25123.70 | 24248.00 | 25451.10 | 14415.50 | 37711.62 | 35591.00 | 34487.35 | 22826.33 | 33152.17 | 37338.50 | 24854.10 | 29077.75 | 29883.70 | 19746.00 | 35308.78 | 31180.00 | 38255.27 | 20805.33 | |
| ALPHA-HYDROXYISOBUTYRIC ACID (M-H)- | 278930.94 | 469026.67 | 164089.61 | 172999.50 | 224969.45 | 194337.00 | 218902.44 | 158944.00 | 262293.12 | 288305.67 | 286497.78 | 301730.00 | 180636.09 | 200543.25 | 228399.75 | 162257.50 | 278208.44 | 172869.00 | 290691.93 | 552329.33 | |
| ARACHIDIC ACID (M-H)- | 30151.25 | 44353.00 | 13245.44 | 10910.00 | 16551.80 | 15305.50 | 24148.71 | 23628.00 | 24099.54 | 17129.50 | 14133.67 | 31467.67 | 12409.16 | 14058.67 | 11300.87 | 11036.50 | 16134.71 | 26495.00 | 22349.83 | 31162.50 | |
| ARACHIDONIC ACID (M-H)- | 996886.17 | 1915139.00 | 490050.76 | 406486.75 | 603688.10 | 404861.50 | 1234355.22 | 882957.00 | 1002260.41 | 667386.67 | 639304.61 | 1217108.67 | 431983.94 | 548240.25 | 457928.60 | 370356.00 | 553060.11 | 944798.00 | 874556.00 | 575358.00 | |
| AZELAIC ACID (M-H)- | 114168.78 | 134986.33 | 124716.36 | 147044.50 | 126161.65 | 129547.00 | 124233.00 | 114110.00 | 108415.53 | 113761.67 | 106961.94 | 127742.00 | 117586.48 | 132524.50 | 122541.05 | 128577.00 | 123174.11 | 108039.00 | 110580.73 | 98563.33 | |
| BEHENIC ACID (M-H)- | 12781.50 | 19718.00 | 9527.00 | 7022.67 | 14552.92 | 33062.00 | 18677.17 | 11687.00 | 12714.17 | 30929.00 | 9273.91 | 24528.67 | 10671.85 | 11311.33 | 12830.17 | 19796.50 | 20901.83 | 11523.00 | 13545.90 | 42922.00 | |
| BENZOIC ACID (M-H)- | 25480.44 | 24348.67 | 31470.24 | 24089.75 | 29742.20 | 23993.00 | 33428.67 | 18393.00 | 26706.06 | 31145.33 | 23876.67 | 24622.33 | 27575.15 | 20158.00 | 25294.10 | 19886.00 | 25104.67 | 20481.00 | 23557.00 | 25523.00 | |
| BILIVERDIN (M-H)- | 30767.71 | 34817.00 | 32995.81 | 50924.00 | 32219.00 | 15815.00 | 29010.50 | 17587.00 | 34678.10 | - | 30903.50 | 34331.00 | 32647.94 | 54104.00 | 34808.57 | 15677.50 | 27301.00 | 23505.00 | 32338.10 | - | |
| CHOLIC ACID (2M-H)- | 186585.50 | - | 34994.00 | 1232.00 | 112707.00 | - | 41669.00 | 242569.00 | - | - | 42030.00 | 97631.00 | 31252.00 | 4943.00 | - | 1536.00 | - | 200494.00 | - | - | |
| CHOLIC ACID (M+CL)- | 32546.11 | 4034.50 | 12471.15 | 4749.00 | 71775.25 | 2887.00 | 35252.00 | 86938.00 | 5005.40 | 878.00 | 18086.36 | 35233.00 | 12551.75 | 6999.50 | 26412.67 | 3844.00 | - | 78827.00 | 2721.00 | 911.00 | |
| CHOLIC ACID (M-H)- | 359005.65 | 61829.67 | 112970.09 | 53160.25 | 298547.37 | 42753.00 | 140624.00 | 1546394.00 | 38944.31 | 17075.00 | 217903.39 | 561382.67 | 103826.64 | 88948.25 | 85576.67 | 49219.00 | 15041.38 | 1446940.00 | 25440.77 | 27066.00 | |
| CIS-11-EICOSENOIC ACID (M-H)- | 228253.50 | 358823.00 | 75755.73 | 108753.50 | 118854.85 | 82321.50 | 186396.44 | 283094.00 | 221152.41 | 164771.33 | 131256.22 | 203155.00 | 63732.44 | 107154.75 | 89573.44 | 57705.50 | 108686.89 | 181665.00 | 207266.00 | 157777.33 | |
| CITRAMALIC ACID (M-H)- | 32767.59 | 25075.67 | 42779.26 | 43203.50 | 42930.42 | 41089.00 | 28196.75 | 13244.00 | 33638.33 | 81775.67 | 37810.11 | 33666.33 | 55953.35 | 36886.75 | 47226.79 | 35931.00 | 41771.89 | 67205.00 | 50185.85 | 40016.67 | |
| CITRIC ACID (M-H)- | 3447891.61 | 3508540.00 | 3771264.24 | 3747691.25 | 3605195.05 | 2681369.50 | 3287551.33 | 3170378.00 | 3493246.29 | 4452870.00 | 3462412.61 | 3232370.00 | 3700337.67 | 3619354.25 | 3748996.55 | 3022345.50 | 3584168.22 | 2897325.00 | 3695214.47 | 3626059.67 | |
| CITRULLINE (M-H)- | 4896.00 | - | 4919.29 | 4413.00 | 4899.80 | - | 5307.00 | - | 5062.50 | 4780.00 | 4019.40 | - | 5707.29 | 2709.00 | 3620.25 | - | 3391.00 | - | 3784.67 | 3533.00 | |
| CORTISOL (M+CL)- | 212425.12 | 188090.33 | 247068.77 | 304320.50 | 243624.55 | 240573.00 | 138415.75 | 187186.00 | 211743.07 | 269420.33 | 234854.88 | 215600.00 | 230581.31 | 256072.50 | 228091.05 | 191662.00 | 188852.88 | 167302.00 | 267217.29 | 261289.67 | |
| CORTISONE (M+CL)- | 83115.72 | 98839.00 | 105316.73 | 158731.50 | 109101.70 | 54982.00 | 65794.38 | 79595.00 | 86388.44 | 113111.67 | 88518.61 | 96155.33 | 110503.33 | 126618.75 | 111350.50 | 53125.50 | 83471.88 | 68762.00 | 104026.00 | 96144.67 | |
| DECANOIC ACID (M-H)- | 12724.62 | 19618.00 | 11987.38 | 11707.00 | 25210.82 | 18375.00 | 7836.00 | - | 12689.38 | 13262.50 | 9728.75 | 9124.33 | 9637.75 | 8137.33 | 17330.00 | 16895.00 | 7714.50 | - | 11218.29 | 26889.50 | |
| DEHYDROASCORBIC ACID (M-H)- | 911319.39 | 1019429.00 | 905273.42 | 665816.50 | 1019131.90 | 736256.50 | 1061729.89 | 917177.00 | 965944.12 | 1070355.33 | 999763.53 | 887977.33 | 886075.45 | 892118.75 | 1037689.80 | 769648.50 | 1043102.89 | 1027577.00 | 992606.40 | 1276750.33 | |
| DEOXYADENOSINE (M+CL)- | 16548.27 | 9991.00 | 9447.32 | 17996.33 | 9274.77 | 8442.00 | 11329.33 | 8020.00 | 13182.58 | 7337.33 | 11697.15 | 7893.00 | 10198.36 | 11883.33 | 9997.93 | 6608.00 | 19788.14 | 18007.00 | 12617.90 | 11188.33 | |
| DEOXYCHOLIC ACID (2M-H)- | 73178.41 | 9580.00 | 35629.74 | 12005.75 | 50334.74 | 14290.00 | 39789.71 | 1686662.00 | 20747.27 | 16342.00 | 48831.88 | 41005.33 | 25227.81 | 11720.00 | 23855.69 | 10534.00 | 15806.14 | 1321318.00 | 19524.29 | 9214.67 | |
| DEOXYCHOLIC ACID (M+CL)- | 18843.24 | 10038.50 | 14829.55 | 10527.50 | 17884.25 | 5783.00 | 15445.00 | 172018.00 | 9128.53 | 12039.67 | 16002.59 | 18927.33 | 12583.58 | 9561.50 | 11161.22 | 4782.00 | 8516.00 | 131359.00 | 11440.85 | 9421.50 | |
| DEOXYCHOLIC ACID (M-H)- | 355832.53 | 180948.33 | 288278.12 | 209671.00 | 335955.75 | 72925.00 | 329572.57 | 2230825.00 | 168901.35 | 256453.67 | 329016.35 | 372985.00 | 249052.91 | 188594.75 | 248311.33 | 64643.00 | 198016.89 | 2051385.00 | 203807.73 | 156783.33 | |
| DEOXYURIDINE (M+CL)- | 56825.36 | 61881.00 | 72635.70 | 81760.00 | 54782.92 | 160757.00 | 127022.67 | 129089.00 | 91998.23 | 73385.00 | 48587.80 | 64753.50 | 61261.91 | 68073.00 | 60358.45 | 179841.00 | 100373.29 | 120507.00 | 86802.69 | 63692.00 | |
| DOCOSAHEXAENOIC ACID (M-H)- | 613703.33 | 989353.33 | 369804.91 | 276686.00 | 421414.15 | 180236.00 | 733364.22 | 762234.00 | 595546.18 | 455263.00 | 399443.28 | 687898.33 | 425752.67 | 468167.50 | 305967.10 | 165137.00 | 316073.00 | 782560.00 | 626442.60 | 685374.33 | |
| DUMP (M-H)- | 7913.25 | 18757.00 | 9551.70 | 8813.00 | 12383.00 | 10171.50 | 7219.83 | 4585.00 | 8262.25 | 8311.00 | 15008.18 | 12358.33 | 15453.39 | 10855.00 | 16555.55 | 14902.00 | 16678.67 | 10075.00 | 14429.07 | 9373.00 | |
| EPIBRASSINOLIDE [ISTD] (M+CL)- | 47315.22 | 48971.00 | 50345.76 | 48146.25 | 54899.45 | 45914.00 | 44257.78 | 50135.00 | 49806.76 | 48025.33 | 48856.28 | 48748.00 | 48612.36 | 49113.00 | 55356.10 | 47540.00 | 45530.00 | 55401.00 | 48145.87 | 51219.67 | |
| ERUCIC ACID (M-H)- | 19568.20 | 28795.67 | 10977.75 | 6172.67 | 11840.77 | 7994.00 | 18009.50 | 24889.00 | 15865.17 | 10076.50 | 8527.64 | 19710.33 | 10197.95 | 8609.67 | 11035.50 | 5375.00 | 9720.50 | 24168.00 | 15470.70 | 15930.50 | |
| ETHYLMALONIC ACID (M-H)- | 16047.58 | 14399.50 | 16674.57 | 14108.00 | 20753.62 | 4848.00 | 18432.57 | 22988.00 | 23554.58 | 12505.00 | 20874.80 | 17746.50 | 21577.81 | 10984.00 | 23758.36 | 6984.00 | 10297.25 | 24504.00 | 29792.70 | 16118.00 | |
| GLUCOSE (M+CL)- | 218030.28 | 175660.00 | 260407.44 | 208998.00 | 198010.75 | 892306.50 | 491658.89 | 543474.00 | 280986.94 | 155761.50 | 425484.61 | 319432.33 | 227153.69 | 136428.50 | 207040.05 | 143046.00 | 261039.33 | 724169.00 | 164654.07 | 189688.67 | |
| GLUTAMINE (M-H)- | 19343.89 | 12781.33 | 19538.56 | 14226.50 | 17436.56 | 18429.00 | 15861.12 | 40400.00 | 19231.25 | 12970.33 | 21144.13 | 11256.67 | 19884.59 | 18016.75 | 19960.00 | 14407.00 | 22235.44 | 65996.00 | 19911.40 | 21674.33 | |
| GLUTARIC ACID (M-H)- | 27494.22 | - | 60283.09 | 47257.00 | 46269.25 | 5674.00 | 34887.75 | 135858.00 | 54190.80 | 7961.00 | 18208.44 | - | 17159.20 | 3817.00 | 31465.00 | 18353.00 | 14420.67 | 17976.00 | 39526.25 | 15688.00 | |
| GLYCERIC ACID (M-H)- | 14718.36 | 7600.50 | 14590.62 | 11528.00 | 13261.62 | 8648.50 | 12567.86 | 15531.00 | 13682.46 | 1939.00 | 17248.92 | 11965.00 | 16347.64 | 14991.00 | 21483.82 | 9709.00 | 20325.86 | 48630.00 | 16333.75 | 15702.00 | |
| GLYCOCHOLIC ACID (2M-H)- | 15020.25 | 5479.00 | 30224.29 | 2767.50 | 18053.83 | 7407.00 | - | - | 11017.00 | 3354.00 | 16382.25 | 15196.50 | 32789.23 | 10857.00 | 4251.89 | 9747.00 | 8056.00 | - | 3671.00 | 14783.50 | |
| GLYCOCHOLIC ACID (M-H)- | 231963.44 | 293031.33 | 374849.24 | 159897.00 | 349390.20 | 290189.50 | 82946.33 | 433132.00 | 188732.65 | 119426.00 | 249416.00 | 372325.00 | 349245.00 | 122940.25 | 185261.10 | 299966.50 | 84304.62 | 315789.00 | 131790.14 | 302773.00 | |
| GLYCOLITHOCHOLIC ACID (M-H)- | 29353.10 | - | 35846.54 | 27832.33 | 37885.94 | 4937.00 | 22293.80 | - | 24706.55 | 37489.00 | 29722.18 | 36260.50 | 29973.32 | 15902.00 | 29876.87 | 16489.00 | 15230.67 | - | 23166.57 | 21275.00 | |
| GUANOSINE 5^-PHOSPHATE (2M-H)+ | 32113.56 | 28768.67 | 28167.94 | 25890.25 | 29763.45 | 37564.00 | 29717.56 | 48856.00 | 35388.87 | 31272.67 | 25455.56 | 29266.00 | 27763.64 | 28622.00 | 26583.15 | 22541.00 | 25392.88 | 13825.00 | 31179.40 | 27766.00 | |
| HEPTADECANOIC ACID (M-H)- | 92733.83 | 127609.67 | 53170.48 | 44189.00 | 64961.13 | 45741.00 | 84029.43 | 87071.00 | 83820.15 | 51367.50 | 64949.50 | 94741.67 | 50189.52 | 63477.00 | 57073.87 | 40894.00 | 65468.86 | 90563.00 | 79267.33 | 81702.00 | |
| HIPPURIC ACID (M-H)- | 2358160.25 | 1608785.00 | 3625304.14 | 1538252.33 | 3081017.71 | 482443.00 | 1547988.11 | 4683140.00 | 2596876.07 | 3984718.33 | 2679563.94 | 2056616.67 | 2944975.17 | 3678507.75 | 2674056.47 | 569914.00 | 1796303.78 | 4653942.00 | 2937303.83 | 3723477.00 | |
| HYODEOXYCHOLIC ACID (M-H)- | 901436.28 | 233610.67 | 506365.06 | 668419.25 | 832058.80 | 1191649.50 | 594716.11 | 223146.00 | 1034676.18 | 494147.33 | 651558.67 | 469973.67 | 409314.58 | 48779374.00 | 813141.74 | 492359.50 | 552168.75 | 389135.00 | 678182.20 | 666791.33 | |
| IBUPROFEN CARBOXYLIC ACID (2M-H)- | 46784.00 | - | 5136918.33 | - | - | - | 2571.00 | - | 223570.00 | - | 33850.50 | - | 4265569.17 | - | 3807.50 | - | - | - | 5175182.00 | - | |
| IBUPROFEN CARBOXYLIC ACID (M-H)- | 166585.75 | 7574.00 | 2392002.50 | 30817.50 | 15698.08 | 9294.00 | 355391.17 | - | 223983.15 | 20806.00 | 86054.00 | - | 3112880.74 | 15041.00 | 32647.85 | 6310.00 | 297601.40 | 26425.00 | 2108112.56 | 25269.00 | |
| IBUPROFEN (M-H)- | 46742.71 | 9666.00 | 704002.20 | 12805.50 | 8355.14 | 9821.00 | 133691.80 | - | 20677.22 | 8616.00 | 59665.75 | - | 537194.00 | - | 13645.11 | 6541.00 | 112151.60 | - | 229494.20 | 5903.50 | |
| INDOLE-3-ACETIC ACID (M-H)- | 52559.39 | 68833.00 | 60091.64 | 74943.25 | 146136.30 | 145407.00 | 57162.89 | 93391.00 | 58196.53 | 85343.33 | 55201.17 | 86330.00 | 57893.09 | 97241.00 | 151711.05 | 147476.50 | 56186.11 | 91098.00 | 64623.93 | 63837.33 | |
| ISOCITRIC ACID (M-H)- | 866763.33 | 861110.67 | 800676.39 | 688884.75 | 770065.40 | 636445.50 | 759176.89 | 692685.00 | 969461.18 | 846870.33 | 763479.61 | 648606.67 | 821699.97 | 1000190.50 | 733593.25 | 586322.00 | 1017868.44 | 1749162.00 | 757357.20 | 821008.33 | |
| ISOLEUCINE (M-H)- | 592846.50 | 642817.33 | 644912.36 | 483343.25 | 621218.60 | 655303.50 | 523917.22 | 831384.00 | 508000.65 | 877129.67 | 493380.33 | 598759.33 | 559069.67 | 564208.75 | 553314.20 | 600421.00 | 424043.22 | 776189.00 | 469586.80 | 669112.33 | |
| KYNURENIC ACID (M-H)- | 19531.18 | 22215.00 | 17159.12 | 19611.00 | 23521.60 | 20538.00 | 17335.50 | - | 21514.00 | 29703.67 | 16576.00 | 18547.33 | 17141.94 | 15924.25 | 21258.10 | 21613.50 | 15722.11 | 5234.00 | 20702.53 | 28961.50 | |
| L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | 30254.78 | 27135.00 | 36528.64 | 30051.00 | 35767.50 | 73465.50 | 33390.12 | 13121.00 | 52895.88 | 40098.00 | 33721.72 | 27849.67 | 47039.09 | 24535.50 | 58898.83 | 66229.50 | 32764.56 | 23266.00 | 40044.33 | 28858.00 | |
| LAURIC ACID (M-H)- | 108678.50 | 183870.67 | 79063.47 | 112292.25 | 104138.75 | 44594.00 | 82776.44 | 78977.00 | 124638.06 | 84654.67 | 81988.39 | 62549.67 | 77775.59 | 75455.75 | 79982.75 | 35657.50 | 60886.22 | 88456.00 | 140260.87 | 224224.33 | |
| L-HISTIDINE (M-H)- | 13282.06 | 12999.33 | 14460.25 | 7924.25 | 12027.95 | 10179.50 | 10173.22 | 20579.00 | 11707.53 | 14099.33 | 12939.12 | 9198.67 | 13692.09 | 11896.00 | 14407.55 | 9205.50 | 13191.44 | 25787.00 | 10462.00 | 14181.67 | |
| LIGNOCERIC ACID (M-H)- | 8127.83 | 4622.67 | 8299.24 | 5875.67 | 8983.40 | 22367.00 | 6213.43 | 7679.00 | 6162.38 | 9076.50 | 6285.92 | 16052.67 | 8541.58 | 9243.00 | 7914.86 | 18380.00 | 7408.86 | 7906.00 | 5669.75 | 12636.00 | |
| LINOLEIC ACID (M-H)- | 6740095.50 | 8316930.67 | 2659118.88 | 2624998.75 | 3566632.15 | 2270039.00 | 5734172.11 | 6734840.00 | 6357813.06 | 3762373.00 | 4320622.78 | 6839913.33 | 2445794.76 | 2952088.25 | 2772473.50 | 1836100.00 | 3576757.67 | 6178920.00 | 5682220.87 | 4186854.33 | |
| L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | 295996.28 | 274254.67 | 297817.91 | 300291.25 | 329214.10 | 295600.50 | 272934.33 | 258328.00 | 287555.18 | 286021.67 | 288155.17 | 298422.33 | 294154.73 | 289091.75 | 345979.15 | 291880.50 | 287199.11 | 288365.00 | 288409.33 | 263638.00 | |
| LYSINE (M-H)- | 6662.00 | 7501.67 | 7701.06 | 8463.75 | 7119.20 | 5593.00 | 6673.33 | 7538.00 | 5740.12 | 8062.33 | 5629.94 | 5917.00 | 7100.00 | 7061.00 | 6699.50 | 6030.50 | 6165.11 | 7100.00 | 5646.40 | 5943.00 | |
| MALIC ACID (M-H)- | 108468.56 | 188613.00 | 132548.18 | 136403.50 | 135291.05 | 161352.00 | 145094.11 | 2379.00 | 124462.06 | 97095.33 | 141847.83 | 126356.33 | 133332.21 | 131527.25 | 150794.16 | 161246.50 | 125311.67 | 143286.00 | 125700.60 | 166170.33 | |
| MANDELIC ACID #2 (M-H)- | 289056.56 | 834841.67 | 67727.80 | 55056.67 | 59186.47 | 57385.00 | 413253.88 | 438719.00 | 498305.94 | 26708.67 | 57079.65 | 111812.67 | 29650.42 | 17345.33 | 97168.53 | 76998.00 | 139845.44 | 22167.00 | 106726.33 | 93025.00 | |
| MANDELIC ACID (M-H)- | 35491.83 | 36603.33 | 37092.82 | 41248.50 | 45307.60 | 63812.50 | 37111.56 | 53922.00 | 28078.53 | 39738.33 | 36760.44 | 36826.33 | 36893.73 | 33272.00 | 46633.05 | 66998.00 | 22121.00 | 49838.00 | 30056.00 | 36336.67 | |
| METHYLMALONIC ACID (M-H)- | 56031.53 | 99763.67 | 51600.52 | 54832.33 | 58122.88 | 55242.00 | 51985.11 | 95206.00 | 60001.87 | 60045.00 | 67333.00 | 39373.33 | 45178.62 | 92326.67 | 64876.31 | 62201.50 | 57973.80 | 121123.00 | 69531.00 | 73883.00 | |
| MEVALONIC ACID (M-H)- | 30332.22 | 29700.33 | 41263.59 | 29421.25 | 29961.00 | 22394.50 | 30613.44 | 38365.00 | 44423.00 | 21090.33 | 34916.41 | 19867.33 | 43920.75 | 30213.00 | 35713.15 | 64797.50 | 29368.00 | 30764.00 | 35726.40 | 39506.33 | |
| MYRISTIC ACID (M-H)- | 437142.89 | 459331.33 | 214246.61 | 271116.33 | 326075.00 | 189388.00 | 287069.62 | 387937.00 | 365984.41 | 327678.67 | 280245.94 | 312410.33 | 197919.24 | 298688.00 | 233800.15 | 163546.50 | 217792.56 | 376601.00 | 347459.67 | 398751.00 | |
| MYRISTOLEIC ACID (M-H)- | 113992.61 | 98477.00 | 85569.45 | 95898.00 | 98154.15 | 43161.50 | 79570.44 | 208220.00 | 134420.35 | 112235.67 | 91275.17 | 40660.00 | 76864.97 | 107227.50 | 88027.25 | 36828.50 | 54189.78 | 186767.00 | 133289.00 | 110339.00 | |
| N-ACETYL-D-GLUCOSAMINE (M+CL)- | 25410.33 | - | 16539.38 | - | 9527.33 | 9760.00 | 71131.00 | 46504.00 | 17492.00 | - | 28850.67 | - | 11718.22 | - | 20648.33 | 40048.00 | 15218.00 | 40190.00 | 14012.25 | - | |
| N-ACETYL-DL-METHIONINE (M-H)- | 26800.67 | 22248.50 | 30081.31 | 24157.50 | 32777.45 | 28065.00 | 47146.00 | - | 32052.31 | - | 28779.00 | 27869.00 | 29400.80 | 24880.50 | 34578.67 | 33434.00 | 27048.40 | - | 30908.58 | - | |
| N-ACETYL-D-TRYPTOPHAN (M-H)- | 8880.14 | 13077.67 | 9199.43 | 9051.75 | 9531.31 | 5997.00 | 9942.33 | - | 7215.17 | 11446.67 | 7997.31 | 6124.00 | 9286.48 | 10120.00 | 9108.60 | 5941.00 | 6690.67 | - | 7543.56 | 11690.00 | |
| N-ACETYLGLYCINE (M-H)- | 33725.14 | 6972.00 | 10050.40 | 8465.00 | 8726.22 | 10459.50 | 20643.00 | 58292.00 | 24486.11 | - | 14691.71 | 5911.00 | 9968.56 | 13059.00 | 12028.75 | 15554.00 | 26845.80 | 208051.00 | 17976.56 | - | |
| N-ACETYL-L-ALANINE (M-H)- | 128360.39 | 123140.33 | 106169.88 | 103203.00 | 119348.75 | 82780.00 | 134663.25 | 120391.00 | 130957.87 | 134924.00 | 125485.94 | 119160.00 | 111540.41 | 109055.67 | 134024.74 | 88319.50 | 126724.00 | 135128.00 | 127313.33 | 167208.00 | |
| N-ACETYL-L-LEUCINE (M-H)- | 11114.50 | 13388.33 | 10753.34 | 8160.75 | 10709.30 | 9910.50 | 8385.44 | 11126.00 | 10414.88 | 8892.33 | 10022.17 | 9378.33 | 10654.55 | 10682.50 | 11725.15 | 9976.00 | 9116.44 | 10037.00 | 12664.73 | 17965.33 | |
| N-ACETYLNEURAMINIC ACID (M-H)- | 93781.17 | 99713.67 | 96313.73 | 81395.50 | 105783.75 | 149383.50 | 103274.00 | 187639.00 | 117213.31 | 102483.00 | 114696.72 | 78172.67 | 94445.03 | 100031.25 | 111191.20 | 163029.50 | 80674.56 | 118875.00 | 101182.60 | 86031.33 | |
| NAPROXEN (M-H)- | 8621111.33 | 2526804.00 | 4510379.20 | 8944810.50 | 2193654.75 | 1818138.00 | 6628105.00 | - | - | - | 7243604.00 | - | 3289373.00 | 4715082.00 | 1909589.20 | 1800920.00 | 6903886.00 | - | - | 2614757.00 | |
| NERVONIC ACID (M-H)- | 45004.42 | 63840.00 | 27164.68 | 30252.67 | 33034.40 | 43036.50 | 54232.33 | 94089.00 | 46989.85 | 29570.00 | 37719.08 | 57293.00 | 27536.82 | 37182.00 | 35321.38 | 34169.50 | 34393.86 | 90452.00 | 44848.75 | 44911.50 | |
| N-ETHYLMALEIMIDE (M-H)- | 40887.65 | 41201.00 | 43123.71 | 27818.67 | 45213.53 | 15012.00 | 37873.22 | 37704.00 | 47635.06 | 22779.33 | 38662.88 | 40536.33 | 39256.45 | 64635.67 | 38491.78 | 15462.50 | 30138.50 | 36874.00 | 48114.36 | 28562.67 | |
| OLEIC ACID (M-H)- | 14466575.06 | 13566414.67 | 5168862.97 | 6973773.50 | 8399454.15 | 5588809.50 | 11895448.89 | 14500000.00 | 13293140.18 | 11228568.00 | 9474142.56 | 12766666.67 | 4744105.00 | 7016666.25 | 6380625.90 | 3771719.50 | 7322006.00 | 13600000.00 | 12164989.87 | 10135544.67 | |
| OMEGA-HYDROXYDODECANOIC ACID (M-H)- | 2792.00 | 11515.00 | 2699.50 | 3267.00 | 2293.60 | - | 3069.00 | - | 3550.00 | 1952.00 | 4171.50 | 5079.00 | 2716.43 | 2540.50 | 2872.80 | - | 2560.00 | - | - | 10964.00 | |
| OMEPRAZOLE (M-H)- | 37424.17 | 46733.00 | 40051.25 | - | 68975.57 | 98957.00 | 53507.50 | 120957.00 | 113452.67 | 41700.00 | 32703.88 | 54411.50 | 64352.00 | 44420.00 | 80091.88 | 82671.50 | 25579.50 | 134341.00 | 82093.00 | 47248.00 | |
| ORNITHINE (M-H)- | 3932.17 | 3650.00 | 3499.79 | 3689.33 | 3928.87 | 1986.50 | 3348.71 | 3110.00 | 2787.85 | 4204.50 | 3390.17 | 3480.33 | 3329.86 | 3120.00 | 3691.08 | 2087.00 | 3146.83 | 2912.00 | 2898.50 | 3483.00 | |
| OXALIC ACID (M-H)- | 117577.33 | 104033.00 | 118545.59 | 109030.25 | 110323.84 | 151769.50 | 104995.78 | 98760.00 | 126880.53 | 128980.67 | 128523.12 | 115951.33 | 113689.59 | 140723.00 | 115304.20 | 154734.00 | 103398.67 | 58944.00 | 105990.53 | 117524.33 | |
| OXALOACETIC ACID (M-H)-[-H2O] | 171266.33 | 198852.67 | 176441.82 | 157389.50 | 162600.60 | 163899.50 | 159506.78 | 211165.00 | 179264.24 | 168708.00 | 167736.89 | 183115.67 | 171010.58 | 201254.50 | 177752.90 | 81144.50 | 184647.44 | 215321.00 | 159250.00 | 191991.33 | |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M-H)- | 625087.00 | 317862.00 | 172951.67 | 17774.00 | 299693.75 | 107585.00 | 2996002.00 | - | 4004.00 | - | 606512.50 | 170717.00 | 6259.67 | - | 750880.40 | 101898.00 | - | - | 5812.00 | - | |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- | 399771.86 | 474634.00 | 147801.60 | 45241.00 | 230402.33 | 159279.00 | 324854.25 | - | 81215.00 | - | 565611.71 | 311535.50 | 34376.75 | 1009.00 | 459370.43 | 162124.00 | 6930.75 | - | 141802.33 | - | |
| PALMITIC ACID (M-H)- | 4506785.72 | 4380138.67 | 1456495.27 | 1748477.75 | 2659084.20 | 1321045.00 | 3169060.44 | 3470980.00 | 3553822.71 | 3470118.00 | 2653679.78 | 3493335.33 | 1352786.09 | 2119669.25 | 1814565.45 | 865796.00 | 1814520.78 | 3503389.00 | 3594837.27 | 2695134.00 | |
| PALMITOLEIC ACID (M-H)- | 1795477.94 | 1615105.33 | 890191.33 | 995306.50 | 1097477.45 | 577794.50 | 1163267.78 | 1880480.00 | 1600054.59 | 1090244.67 | 1140796.56 | 890813.33 | 808749.70 | 1256364.25 | 954254.90 | 463084.50 | 715381.22 | 1750608.00 | 1463914.87 | 1307884.00 | |
| PANTOTHENIC ACID (M+CL)- | 21528.00 | 12007.00 | 5553.14 | 3096.00 | 12575.50 | 17435.00 | 7073.50 | - | 19264.00 | - | 12472.67 | 10429.00 | 6114.33 | 1386.00 | 18382.40 | 12748.00 | 11786.50 | - | 11451.50 | - | |
| PANTOTHENIC ACID (M-H)- | 122767.06 | 190723.67 | 96254.09 | 60598.00 | 155344.45 | 103703.50 | 143016.89 | 46836.00 | 117446.65 | 93196.00 | 148325.00 | 160169.67 | 121264.67 | 96474.25 | 149294.95 | 132966.00 | 155621.22 | 52337.00 | 141638.00 | 300434.00 | |
| PHENYLALANINE (M-H)- | 1756367.17 | 1547407.67 | 1746181.27 | 1612803.75 | 1869121.70 | 1881087.00 | 1587179.33 | 1537106.00 | 1550334.00 | 1984234.67 | 1631254.44 | 1771427.00 | 1615558.42 | 1501362.50 | 1842303.65 | 1955002.00 | 1567361.56 | 1541285.00 | 1493978.00 | 1607406.00 | |
| PHTHALIC ACID (M-H)- | 7001.86 | 3535.00 | 9726.81 | - | 11051.00 | - | 5257.80 | 12135.00 | 7906.12 | - | 5383.88 | 2368.00 | 9758.31 | - | 13674.62 | - | 3571.00 | - | 15495.22 | 10720.00 | |
| PHYTANIC ACID (M-H)- | 22138.08 | 29130.00 | 13686.60 | 9791.00 | 17419.53 | 11507.00 | 14184.29 | 27682.00 | 19880.42 | 15493.50 | 14397.33 | 19655.00 | 11996.58 | 12950.33 | 12962.47 | 9904.50 | 12600.57 | 25713.00 | 18977.42 | 19606.00 | |
| PIMELIC ACID (M-H)- | 3370.00 | 4209.50 | 3470.42 | 3000.00 | 3939.80 | 1246.00 | 9297.00 | 3582.00 | 5952.20 | - | 3446.57 | 3544.00 | 5609.90 | - | 5188.00 | 5055.00 | 9244.50 | - | 3568.75 | - | |
| QUINIC ACID (M-H)- | 173497.00 | 13790.50 | 25698.00 | - | 33006.00 | - | 29368.00 | - | 30476.50 | - | 71169.00 | 15926.50 | 31245.40 | 13710.00 | 17311.33 | - | 25932.50 | - | 30384.50 | - | |
| RAFFINOSE (M+CL)- | 6641.29 | 4318.00 | 6125.06 | 5471.00 | 6541.11 | 9383.00 | 7838.00 | 4342.00 | 6633.25 | 5747.00 | 7881.67 | 7461.00 | 5855.36 | 6045.50 | 6465.17 | 6517.00 | 6273.38 | 6526.00 | 5956.08 | 6187.00 | |
| S-ADENOSYL-L-HOMOCYSTEINE (M-H)- | 20864.14 | 18532.33 | 38531.88 | 29851.25 | 28445.56 | 23386.00 | 21671.80 | - | 21221.33 | 40413.67 | 17253.86 | 22257.67 | 31676.42 | 19235.75 | 20651.81 | 21279.00 | 12909.17 | - | 20697.20 | 28873.67 | |
| SALICYLATE #2 (M-H)- | 1764360.33 | 116694.67 | 6085212.64 | 3245157.75 | 798616.25 | 113658.00 | 324427.44 | 5047158.00 | 578498.88 | 1080020.33 | 2399858.56 | 142461.33 | 2124075.76 | 1999866.50 | 6588592.65 | 124130.50 | 386148.33 | 4538099.00 | 646975.87 | 980433.33 | |
| SALICYLIC ACID (M-H)- | 12444.50 | 6752.00 | 4212.67 | - | 3875.50 | 6947.00 | - | - | 14487.50 | - | 13386.50 | - | 10996.43 | 7129.00 | 8626.80 | 18031.00 | 9326.00 | - | 12793.50 | - | |
| SALICYLURIC ACID (M-H)- | 145210.38 | 3824.50 | 599829.10 | 312380.00 | 37966.43 | 3906.00 | 18446.50 | 465596.00 | 53946.69 | 86680.00 | 289968.29 | 5042.33 | 188354.81 | 162375.00 | 600965.05 | 5536.00 | 18313.00 | 436416.00 | 65790.42 | 134586.50 | |
| SEBACIC ACID (M-H)- | 47161.06 | 29362.00 | 30081.94 | 28888.50 | 48832.85 | 24623.00 | 110629.56 | 104449.00 | 49334.29 | 27268.33 | 41102.83 | 37330.33 | 27058.39 | 42482.00 | 47676.45 | 28023.00 | 86308.11 | 105830.00 | 48611.33 | 44201.67 | |
| STEARIC ACID (M-H)- | 2041201.11 | 4210010.00 | 1018339.55 | 1100826.75 | 1269605.15 | 754232.50 | 2477893.33 | 1543057.00 | 2032457.12 | 1255171.00 | 1203846.28 | 2756497.00 | 839103.36 | 958751.25 | 860735.95 | 695414.50 | 1081628.44 | 1936353.00 | 1905927.13 | 1390448.00 | |
| SUBERIC ACID (M-H)- | 32657.94 | 38260.33 | 26163.50 | 26070.75 | 37651.32 | 37966.00 | 39899.67 | 15733.00 | 38081.47 | 24109.67 | 32988.22 | 56844.00 | 30871.52 | 32316.67 | 40660.84 | 25937.50 | 41804.44 | 17229.00 | 45079.33 | 40727.00 | |
| SUCCINIC ACID (M-H)- | 128081.61 | 231469.33 | 139859.03 | 142019.25 | 180952.25 | 172659.00 | 109886.67 | 97532.00 | 139946.29 | 114611.00 | 205498.11 | 165427.67 | 222146.36 | 152883.25 | 255199.75 | 222100.00 | 287131.11 | 121935.00 | 231386.40 | 159587.00 | |
| SUCROSE (M+CL)- | 10673.33 | 4336.00 | 6218.71 | 4924.00 | 6084.11 | 9172.00 | 22812.40 | 10347.00 | 9207.60 | - | 8961.40 | 1933.50 | 5865.35 | 7224.00 | 5799.14 | 7608.00 | 8225.20 | 14687.00 | 9118.86 | - | |
| TARTARIC ACID (M-H)- | - | - | 1457.00 | - | - | - | 12961468.50 | - | - | - | - | - | - | - | - | - | 1993873.00 | - | - | - | |
| THEOPHYLLINE (M-H)- | 440172.56 | 521063.00 | 469327.19 | 239031.75 | 613441.00 | 364867.00 | 375680.56 | 14578.00 | 495216.24 | 318927.67 | 397821.94 | 295084.00 | 448320.33 | 785338.50 | 495475.74 | 371415.00 | 336765.22 | 16102.00 | 453942.47 | 495848.67 | |
| THYMIDINE (M+CL)- | 10137.73 | 15504.67 | 9751.78 | 10364.50 | 11052.92 | 9770.50 | 15991.50 | - | 10700.67 | 11233.50 | 14174.75 | 13783.00 | 11239.00 | 13483.75 | 14778.62 | 12039.50 | 13358.83 | - | 14959.15 | 9999.33 | |
| THYROXINE (M-H)- | 26242.00 | 22966.33 | 23068.97 | 21897.75 | 24612.30 | 18607.50 | 24148.11 | 23875.00 | 23531.18 | 20470.67 | 25869.89 | 27478.00 | 23114.55 | 22619.00 | 24118.75 | 18923.50 | 23764.67 | 25638.00 | 25670.60 | 20549.33 | |
| TRANS-ACONITIC ACID (M-H)- | 624218.22 | 645153.67 | 654427.72 | 483379.50 | 743437.15 | 387393.00 | 641429.44 | 495969.00 | 639588.24 | 789621.00 | 646013.83 | 600598.33 | 620105.76 | 607719.25 | 688179.90 | 632304.50 | 694939.11 | 630151.00 | 611226.60 | 827221.67 | |
| TRICARBALLYLIC ACID (M-H)-[-H2O] | 14379.67 | 36891.00 | 21765.25 | 7442.50 | 17697.80 | - | 19142.00 | 4932.00 | 19131.40 | 4847.33 | 17727.08 | 15187.00 | 34987.71 | 20190.00 | 45555.46 | 15848.00 | 24033.50 | 10217.00 | 31446.57 | 20130.00 | |
| TRICOSANOIC ACID (M-H)- | 3806.50 | 6833.00 | 2724.88 | 1919.00 | 3802.86 | 5636.00 | 2990.50 | 2489.00 | 3068.20 | - | 3373.00 | 5287.00 | 2522.22 | - | 3698.00 | 3198.50 | 3571.50 | 2918.00 | 3765.00 | - | |
| TRIDECANOIC ACID (M-H)- | 6916.50 | 5723.67 | 7170.20 | 9489.33 | 7941.93 | 8632.50 | 5205.71 | 9068.00 | 6369.92 | 5156.50 | 5756.67 | 5423.67 | 7788.05 | 11648.00 | 7094.75 | 6997.00 | 7906.40 | 9107.00 | 6249.58 | 4718.50 | |
| TRYPTOPHAN (2M-H)- | 588067.72 | 672886.33 | 945770.03 | 836027.75 | 848822.45 | 942438.50 | 486806.78 | 399803.00 | 635723.71 | 1168405.67 | 533578.11 | 812656.33 | 861982.97 | 697894.75 | 846353.65 | 916515.50 | 531783.00 | 452717.00 | 630849.40 | 483026.00 | |
| TRYPTOPHAN (M-H)- | 2564713.61 | 2891085.67 | 3653402.15 | 3266759.50 | 3392864.30 | 3599318.00 | 2322305.11 | 2174751.00 | 2685258.76 | 4120011.67 | 2425993.11 | 3317909.33 | 3390851.03 | 2940955.50 | 3328459.75 | 3573729.50 | 2410491.56 | 2246266.00 | 2684261.33 | 2344170.67 | |
| TYROSINE (M-H)- | 367283.28 | 387908.00 | 590269.21 | 476222.00 | 487708.25 | 476007.00 | 383230.75 | 421457.00 | 364447.35 | 624409.67 | 331632.61 | 433787.00 | 541416.06 | 430459.50 | 412130.05 | 459002.50 | 303894.33 | 368460.00 | 343529.87 | 329338.67 | |
| URIC ACID (M-H)- | 2352506.06 | 1616784.67 | 2217875.79 | 1506164.75 | 2205532.50 | 2196689.50 | 2420294.89 | 1677039.00 | 2188066.65 | 1447735.67 | 3590493.56 | 2268527.67 | 3846947.82 | 4368257.25 | 3417361.65 | 2137341.00 | 3133745.33 | 3203159.00 | 2806443.80 | 2542627.00 | |
| URIDINE (M+CL)- | 4035659.94 | 4256264.67 | 3986931.58 | 4460565.50 | 3781036.05 | 4418073.00 | 3030082.89 | 2871919.00 | 3960239.53 | 3798186.67 | 3732872.39 | 4881266.67 | 3847081.79 | 3856679.50 | 4017448.15 | 4602718.00 | 3414571.56 | 2945747.00 | 3846396.73 | 4580247.33 | |
| URIDINE (M-H)- | 515219.21 | 733455.33 | 233246.42 | 682659.00 | 613869.56 | 106914.00 | 237384.00 | - | 297284.17 | 417746.33 | 431219.21 | 285224.00 | 229363.22 | 406306.50 | 417776.12 | 132997.00 | 688748.33 | - | 243676.20 | 627052.00 | |
| VALINE (M-H)- | 15434.25 | 14473.00 | 11807.84 | 20839.00 | 14598.40 | 11098.00 | 15929.57 | 6377.00 | 15901.85 | 28586.50 | 12181.30 | 11450.67 | 13389.92 | 19585.00 | 11205.07 | 11329.50 | 16409.80 | 20099.00 | 10873.27 | 4530.50 | |
| XANTHINE (M-H)- | 122001.67 | 273388.00 | 113764.36 | 104313.00 | 126621.13 | 92615.00 | 125496.17 | 75526.00 | 106743.75 | 99057.33 | 142761.20 | 101732.00 | 113617.76 | 103762.00 | 151223.80 | 95001.00 | 138692.43 | 95892.00 | 125341.90 | 162436.67 | |
| ZEATIN [ISTD] (M+CL)- | 119581.44 | 102915.00 | 119399.21 | 118920.25 | 112155.90 | 123140.50 | 119918.89 | 112317.00 | 115855.76 | 116152.00 | 118276.83 | 117938.67 | 115189.27 | 113969.00 | 113921.05 | 119999.50 | 113729.33 | 112440.00 | 111962.93 | 105494.33 | |
| ZEATIN [ISTD] (M-H)- | 150504.94 | 134805.33 | 146404.79 | 151748.50 | 141057.55 | 171085.00 | 133306.78 | 123848.00 | 147315.12 | 142508.67 | 149149.39 | 155250.33 | 150640.55 | 142887.25 | 138048.80 | 164308.50 | 152535.56 | 139844.00 | 143824.87 | 125212.67 |
Factors:
| F1 | Exercise:No | Group:Borderline Pressures | Sex:Female | Type:Cath |
| F2 | Exercise:No | Group:Borderline Pressures | Sex:Male | Type:Cath |
| F3 | Exercise:No | Group:Healthy | Sex:Female | Type:Non-invasive |
| F4 | Exercise:No | Group:Healthy | Sex:Male | Type:Non-invasive |
| F5 | Exercise:No | Group:LowRisk | Sex:Female | Type:Non-invasive |
| F6 | Exercise:No | Group:LowRisk | Sex:Male | Type:Non-invasive |
| F7 | Exercise:No | Group:Normal Pressures | Sex:Female | Type:Cath |
| F8 | Exercise:No | Group:Normal Pressures | Sex:Male | Type:Cath |
| F9 | Exercise:No | Group:PAH | Sex:Female | Type:Cath |
| F10 | Exercise:No | Group:PAH | Sex:Male | Type:Cath |
| F11 | Exercise:Yes | Group:Borderline Pressures | Sex:Female | Type:Cath |
| F12 | Exercise:Yes | Group:Borderline Pressures | Sex:Male | Type:Cath |
| F13 | Exercise:Yes | Group:Healthy | Sex:Female | Type:Non-invasive |
| F14 | Exercise:Yes | Group:Healthy | Sex:Male | Type:Non-invasive |
| F15 | Exercise:Yes | Group:LowRisk | Sex:Female | Type:Non-invasive |
| F16 | Exercise:Yes | Group:LowRisk | Sex:Male | Type:Non-invasive |
| F17 | Exercise:Yes | Group:Normal Pressures | Sex:Female | Type:Cath |
| F18 | Exercise:Yes | Group:Normal Pressures | Sex:Male | Type:Cath |
| F19 | Exercise:Yes | Group:PAH | Sex:Female | Type:Cath |
| F20 | Exercise:Yes | Group:PAH | Sex:Male | Type:Cath |
