Data for ST000763   

(Analysis AN001201): Average values per metabolite and experimental factor (Units:Peak area normalized)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20
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:

F1Exercise:No | Group:Borderline Pressures | Sex:Female | Type:Cath
F2Exercise:No | Group:Borderline Pressures | Sex:Male | Type:Cath
F3Exercise:No | Group:Healthy | Sex:Female | Type:Non-invasive
F4Exercise:No | Group:Healthy | Sex:Male | Type:Non-invasive
F5Exercise:No | Group:LowRisk | Sex:Female | Type:Non-invasive
F6Exercise:No | Group:LowRisk | Sex:Male | Type:Non-invasive
F7Exercise:No | Group:Normal Pressures | Sex:Female | Type:Cath
F8Exercise:No | Group:Normal Pressures | Sex:Male | Type:Cath
F9Exercise:No | Group:PAH | Sex:Female | Type:Cath
F10Exercise:No | Group:PAH | Sex:Male | Type:Cath
F11Exercise:Yes | Group:Borderline Pressures | Sex:Female | Type:Cath
F12Exercise:Yes | Group:Borderline Pressures | Sex:Male | Type:Cath
F13Exercise:Yes | Group:Healthy | Sex:Female | Type:Non-invasive
F14Exercise:Yes | Group:Healthy | Sex:Male | Type:Non-invasive
F15Exercise:Yes | Group:LowRisk | Sex:Female | Type:Non-invasive
F16Exercise:Yes | Group:LowRisk | Sex:Male | Type:Non-invasive
F17Exercise:Yes | Group:Normal Pressures | Sex:Female | Type:Cath
F18Exercise:Yes | Group:Normal Pressures | Sex:Male | Type:Cath
F19Exercise:Yes | Group:PAH | Sex:Female | Type:Cath
F20Exercise:Yes | Group:PAH | Sex:Male | Type:Cath
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