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 LYSO PC (M+H)+ | 922513.28 | 849714.67 | 439457.85 | 599719.75 | 529002.00 | 515667.00 | 730847.44 | 779368.00 | 820247.94 | 1381879.00 | 407963.72 | 775923.33 | 504130.36 | 901804.75 | 403587.10 | 433261.50 | 588970.22 | 1145967.00 | 951131.80 | 375290.67 | |
| 16:0 LYSO PC (M+NA)+ | 1118706.83 | 1435151.67 | 958214.85 | 1060532.25 | 938175.10 | 1631910.50 | 1202092.33 | 487325.00 | 856594.35 | 1192008.00 | 701814.11 | 1223080.67 | 935467.85 | 932944.50 | 936927.20 | 1312999.50 | 1426583.44 | 459686.00 | 1121472.27 | 862785.00 | |
| 18:0 LYSO-PE (M+H)+ | 214958.89 | 203534.50 | 96450.72 | 69408.00 | 133322.20 | 111215.00 | 210940.40 | 212314.00 | 220253.00 | 166402.00 | 145760.44 | 145477.00 | 81832.32 | 85561.67 | 96142.70 | 101776.00 | 190324.20 | 291776.00 | 148789.82 | - | |
| 1-METHYLADENOSINE (M+H)+ | 156808.72 | 185335.33 | 163417.55 | 124143.50 | 183281.50 | 175060.50 | 195772.56 | 152876.00 | 173179.82 | 191097.33 | 191379.67 | 136600.00 | 171369.26 | 139393.75 | 179339.30 | 186234.00 | 158812.33 | 134729.00 | 174595.00 | 249124.00 | |
| 1-METHYLADENOSINE (M+NA)+ | 12969.50 | - | 12542.33 | - | 13345.75 | 11983.00 | 16395.50 | - | 11948.40 | - | 12362.00 | - | 12342.11 | - | 12386.00 | 13342.00 | 13605.33 | - | 11505.00 | - | |
| 3-DEHYDROXYCARNITINE (M+H)+ | 50031.75 | - | 55185.00 | - | 65306.00 | - | 79925.33 | 70015.00 | 67233.67 | - | 55109.50 | - | 59291.00 | - | 61173.00 | - | 49613.67 | 62120.00 | 64163.50 | - | |
| 3-HYDROXYBENZALDEHYDE (M+H)+[-H2O] | 161270.29 | 126159.00 | 208891.69 | 93412.75 | 178143.75 | 42878.00 | 115671.67 | 297114.00 | 177608.47 | 268161.00 | 161634.28 | 148026.33 | 183598.70 | 212942.25 | 140558.89 | 49926.00 | 136206.78 | 296205.00 | 193702.15 | 234967.33 | |
| 3-METHOXYTYROSINE (M+H)+ | 79664.33 | 24140.33 | 25449.84 | 23708.33 | 29682.47 | 21012.00 | 28542.56 | 34670.00 | 30129.35 | 19663.00 | 80381.07 | 25138.33 | 25010.87 | 29243.75 | 22578.70 | 16182.00 | 29363.56 | 47841.00 | 28374.46 | 29461.00 | |
| 3-METHYL-2-BUTENAL (M+NA)+ | 4003.80 | 4052.00 | 4158.29 | 3152.33 | 4373.45 | - | 3833.25 | - | 3810.20 | 4306.00 | 5112.80 | 4200.00 | 4755.43 | 4085.50 | 4292.91 | - | 4890.50 | - | 3926.20 | 4215.33 | |
| 4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O] | 1119672.08 | 970411.00 | 1112457.08 | 1041066.00 | 1162650.13 | 1020786.00 | 1216600.67 | 945619.00 | 1060981.91 | 1244323.67 | 1094635.67 | 1045348.00 | 1091836.09 | 1066232.33 | 1061922.73 | 1098628.00 | 1026337.86 | 880226.00 | 1025388.44 | 1089474.67 | |
| 4-PYRIDOXIC ACID (M+NA)+ | 54812.83 | 48242.33 | 103248.97 | 76140.75 | 140500.70 | 52114.50 | 85527.75 | 61609.00 | 59146.12 | 68050.33 | 63582.83 | 64322.67 | 110119.25 | 95237.25 | 160446.11 | 48736.00 | 86460.78 | 61109.00 | 69270.29 | 104457.33 | |
| 4-QUINOLINECARBOXYLIC ACID #2 (M+H)+ | 24587.12 | 29634.00 | 27054.50 | 46024.00 | 26650.33 | 13853.00 | 15704.50 | - | 30014.50 | - | 27869.86 | 30172.00 | 27562.15 | 37866.50 | 26047.62 | 18926.00 | 15972.00 | - | 24619.43 | - | |
| 5-HYDROXYTRYPTOPHAN (M+H)+ | 31382.67 | 21363.00 | 27805.21 | 29821.00 | 42060.57 | 22307.50 | 43304.33 | 19516.00 | 40182.50 | - | 35814.43 | 44845.00 | 29803.79 | 28192.00 | 38678.89 | 25784.50 | 40918.75 | - | 35813.00 | - | |
| 5^-METHYLTHIOADENOSINE (M+H)+ | 76756.78 | 91168.67 | 82198.91 | 69386.25 | 86248.30 | 89635.00 | 106154.11 | 85286.00 | 76688.59 | 107217.67 | 93010.11 | 105908.00 | 83719.58 | 59440.00 | 80296.20 | 96045.50 | 80118.78 | 60440.00 | 87982.00 | 93452.00 | |
| 5-OXOPROLINE (M+H)+ | 103330.08 | 107552.33 | 92163.60 | 94490.00 | 113226.60 | 99837.00 | 97922.00 | 157897.00 | 140552.85 | 97833.00 | 103780.83 | 78163.67 | 94321.00 | 89457.33 | 119336.47 | 109518.00 | 84009.71 | 98130.00 | 113268.18 | 94374.00 | |
| 5-OXOPROLINE (M+NA)+ | 155005.35 | 169194.33 | 146367.39 | 119225.50 | 167592.60 | 169539.00 | 164934.56 | 263194.00 | 208788.71 | 168131.00 | 176361.56 | 179188.50 | 153987.70 | 145011.75 | 204096.15 | 174581.50 | 164678.78 | 166215.00 | 182615.93 | 163557.00 | |
| ACETAMINOPHEN (TN TYLENOL) (M+H)+ | 589762.33 | 237550.00 | 179395.67 | 86155.50 | 244530.50 | 745227.00 | 212204.67 | - | 188753.67 | - | 365174.00 | 153281.00 | 26574.14 | - | 366996.40 | 698866.00 | 45623.00 | 2946.00 | 156493.75 | - | |
| ACETAMINOPHEN (TN TYLENOL) (M+NA)+ | 882723.00 | 421890.00 | 173222.88 | 458086.00 | 514680.83 | 775605.00 | 402108.33 | - | 292815.00 | - | 764709.86 | 327044.00 | 50913.36 | - | 613959.83 | 737136.00 | 40867.40 | - | 537668.67 | - | |
| ADENOSINE 5^-MONOPHOSPHATE (M+H)+ | 3037.33 | 4116.50 | 3862.33 | 3939.00 | 3420.50 | 3733.00 | 11324.33 | - | 3859.29 | - | 4913.17 | 2879.00 | 3676.47 | 3902.00 | 5468.43 | 6048.50 | 5000.50 | - | 5457.11 | - | |
| ADIPIC ACID (M+H)+ | 20563.33 | 20788.50 | 19569.88 | 19495.00 | 21419.80 | 18566.00 | 20331.00 | - | 19901.00 | - | 18803.67 | 20118.50 | 19135.88 | 21172.00 | 20569.20 | 19889.00 | 18779.50 | - | 17534.00 | - | |
| ADIPIC ACID (M+NA)+ | 30819.86 | 22062.00 | 24011.00 | 17645.00 | 19303.25 | 18486.50 | 23919.00 | 28786.00 | 33286.40 | - | 32153.29 | 28252.00 | 25522.50 | 11966.00 | 27411.11 | 21040.00 | 30102.00 | 25080.00 | 40004.00 | - | |
| ALPHA-LINOLENIC ACID (M+NA)+ | 22595.72 | 12713.33 | 15740.12 | 16193.75 | 18208.85 | 16723.00 | 22199.50 | 25282.00 | 21030.88 | 16172.33 | 26495.28 | 22619.67 | 16395.09 | 18760.75 | 20599.80 | 18613.00 | 17829.67 | 18385.00 | 20888.93 | 24829.00 | |
| ALPHA-TOCOPHEROL (M+H)+ | 116474.11 | 109877.00 | 103692.76 | 115045.25 | 104812.40 | 113595.00 | 145587.44 | 136596.00 | 115208.35 | 116786.67 | 129181.11 | 139443.67 | 99207.88 | 92642.25 | 112224.05 | 118782.50 | 142878.33 | 121870.00 | 117576.27 | 133671.33 | |
| AZELAIC ACID (M+H)+[-H2O] | 17569.33 | 26382.00 | 24377.88 | 25738.00 | 29854.40 | 27617.00 | 19621.00 | - | 21815.60 | - | 18318.00 | 19865.50 | 23947.00 | 19091.00 | 30109.80 | 31843.00 | 22763.00 | - | 26210.75 | - | |
| AZELAIC ACID (M+NA)+ | 110484.39 | 192528.00 | 96909.30 | 132550.00 | 102530.40 | 101788.50 | 124824.11 | 79666.00 | 101172.76 | 119306.00 | 96753.44 | 102076.67 | 113727.45 | 92435.75 | 98359.37 | 89283.50 | 132328.56 | 95095.00 | 89429.57 | 96190.00 | |
| BILIVERDIN (M+H)+ | 249866.33 | 257326.67 | 313230.42 | 303105.50 | 237874.05 | 122604.00 | 269469.25 | 155082.00 | 331599.82 | 466864.00 | 268964.56 | 296664.00 | 268612.00 | 449879.25 | 228563.80 | 123060.50 | 294021.33 | 232767.00 | 270550.71 | 519583.67 | |
| BILIVERDIN (M+NA)+ | 43313.27 | 26731.00 | 53300.04 | 38647.67 | 43407.00 | 33753.00 | 44823.33 | 33345.00 | 57093.45 | 71135.33 | 48008.13 | 39724.00 | 45171.24 | 59101.33 | 40774.93 | 32928.00 | 47208.29 | 44552.00 | 48402.33 | 76333.00 | |
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ | 941153.00 | - | 416783.41 | 1059575.00 | 419097.44 | 381443.00 | 825808.60 | 947907.00 | 620285.38 | 309777.00 | 785661.11 | - | 344437.71 | 360528.00 | 369186.44 | 483001.00 | 639523.00 | 333936.00 | 745571.29 | 315855.00 | |
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ | 563994.78 | 515874.33 | 519165.09 | 639992.75 | 383079.15 | 224510.50 | 660490.78 | 788745.00 | 668700.82 | 768982.67 | 929184.56 | 2066456.00 | 464761.94 | 1507200.50 | 530215.50 | 246458.50 | 1047166.78 | 2291426.00 | 1549431.07 | 482406.00 | |
| CAFFEINE (M+H)+ | 2524409.00 | 4957154.00 | 3908157.03 | 3166864.00 | 4659688.74 | 1538810.50 | 2393625.89 | - | 3161041.00 | 2158992.00 | 2332182.35 | 1571392.33 | 3702003.56 | 6057792.25 | 3372595.32 | 1549349.50 | 1986206.44 | - | 2431594.69 | 4237977.67 | |
| CAFFEINE (M+NA)+ | 67913.33 | 118055.67 | 100213.35 | 65885.00 | 102777.86 | 41394.50 | 120595.50 | - | 56277.09 | 89554.00 | 67385.25 | 61249.50 | 110131.92 | 193648.50 | 87637.22 | 55913.00 | 84637.33 | - | 53339.22 | 122624.00 | |
| CHOLESTEROL (M+H)+[-H2O] | 435366.00 | 351473.67 | 411611.09 | 491242.00 | 411784.95 | 423404.50 | 429352.33 | 407298.00 | 421560.53 | 479470.00 | 429924.28 | 373230.67 | 402508.42 | 405271.25 | 414348.85 | 454832.00 | 419375.44 | 401838.00 | 433268.33 | 436751.67 | |
| CHOLIC ACID (2M+H)+ | 569307.00 | - | 219588.00 | 1420.00 | 229184.50 | - | 179403.00 | - | - | - | 2770.00 | 257682.00 | 120968.00 | 10898.00 | - | - | - | - | - | - | |
| CHOLIC ACID (2M+NA)+ | 863909.00 | 4743.00 | 120924.40 | 2788.00 | 1133761.67 | - | 450862.00 | - | 1614.50 | - | 4816.50 | 337403.00 | 199516.00 | 24719.00 | 432503.00 | - | - | - | - | - | |
| CHOLINE M+ | 207664.17 | 168900.67 | 245599.12 | 166588.50 | 221164.55 | 228909.50 | 295097.78 | 156211.00 | 248129.41 | 292288.00 | 213932.33 | 133086.67 | 233969.36 | 152300.75 | 186695.60 | 93456.50 | 237720.44 | 169225.00 | 225521.93 | 225245.67 | |
| CITRIC ACID (M+NA)+ | 66671.71 | 61118.00 | 64060.88 | 56005.00 | 69677.50 | 42980.00 | 52292.44 | 50303.00 | 74606.12 | 58646.00 | 71048.56 | 63780.33 | 67735.91 | 59134.50 | 75423.05 | 51652.00 | 76047.56 | 76657.00 | 76605.53 | 75669.67 | |
| CORTICOSTERONE (M+H)+ | 12154.00 | 3528.00 | 7611.14 | 4951.00 | 8968.00 | - | - | - | 6333.50 | - | 9526.50 | 7997.50 | 5719.83 | - | 5919.00 | - | 10186.00 | - | 16477.50 | - | |
| CORTICOSTERONE (M+NA)+ | 29631.94 | 24535.67 | 29978.12 | 39162.25 | 32500.78 | 20354.00 | 16535.83 | 17103.00 | 22372.81 | 51288.67 | 32311.06 | 29741.67 | 27113.66 | 45770.00 | 26196.00 | 15160.00 | 19744.00 | 20674.00 | 54018.83 | 55689.67 | |
| CORTISOL (M+H)+ | 81351.89 | 79461.00 | 102860.97 | 141473.50 | 101797.60 | 52482.50 | 45588.78 | 67548.00 | 76260.47 | 122942.00 | 92345.33 | 90432.00 | 96786.94 | 118549.00 | 90516.35 | 41269.00 | 67479.78 | 58223.00 | 106917.93 | 111416.33 | |
| CORTISOL (M+NA)+ | 470507.50 | 443315.67 | 572385.58 | 719432.00 | 569660.25 | 340627.50 | 279329.00 | 450076.00 | 441609.00 | 677629.67 | 516941.28 | 525263.67 | 549941.45 | 613638.50 | 522933.65 | 277137.00 | 419196.67 | 403282.00 | 558858.07 | 597681.67 | |
| CORTISONE (M+H)+ | 18410.13 | 19463.67 | 22523.06 | 33765.00 | 20964.50 | 11129.50 | 11334.50 | 14685.00 | 15619.31 | 21569.33 | 19592.00 | 18148.33 | 22429.42 | 25262.25 | 20608.21 | 10028.50 | 15042.75 | 12136.00 | 20198.25 | 18562.33 | |
| CORTISONE (M+NA)+ | 95237.47 | 108401.67 | 124461.50 | 174386.75 | 119564.70 | 104843.00 | 70817.75 | 83581.00 | 95984.13 | 124684.67 | 101247.12 | 104631.00 | 128871.72 | 133709.00 | 117803.55 | 50551.50 | 90289.88 | 78589.00 | 108471.54 | 103494.67 | |
| DECANOIC ACID (2M+NA)+ | 1502.50 | - | 3422.00 | - | 3327.00 | - | 5844.00 | 5089.00 | 4429.00 | 2380.00 | 2828.00 | - | - | - | 1095.00 | - | - | 6915.00 | 3240.00 | - | |
| DECANOYLCARNITINE (*) (M+H)+ | 12288.28 | 19733.33 | 21241.36 | 17280.50 | 23069.89 | 16364.50 | 10691.57 | 10285.00 | 14171.12 | 21338.67 | 12627.22 | 12317.33 | 18212.76 | 24752.25 | 18486.80 | 18613.50 | 10653.67 | 9653.00 | 11001.00 | 15542.67 | |
| DEOXYCHOLIC ACID (2M+H)+ | 36914.57 | 9889.00 | 15671.52 | 4152.50 | 28924.50 | 1410.00 | 20783.50 | 621799.00 | 6753.14 | 6891.33 | 30836.69 | 15361.33 | 10310.43 | 3901.00 | 15315.25 | 1458.00 | 8214.83 | 487671.00 | 7523.21 | 15603.00 | |
| DEOXYCHOLIC ACID (2M+NA)+ | 188053.47 | 22508.33 | 95104.94 | 22233.00 | 172585.26 | 11635.00 | 135552.00 | 2959049.00 | 27804.00 | 37894.33 | 135260.82 | 105819.00 | 64273.27 | 21606.00 | 78085.62 | 9703.00 | 36810.33 | 2652723.00 | 36309.29 | 35771.50 | |
| DEOXYCHOLIC ACID (M+NA)+ | 167884.94 | 98589.33 | 172536.76 | 118224.50 | 192427.45 | 29221.00 | 152329.22 | 893680.00 | 98631.94 | 156044.00 | 161010.83 | 212581.00 | 150664.82 | 101610.50 | 131250.42 | 28331.00 | 105754.11 | 918573.00 | 104463.60 | 90798.00 | |
| DESMOSTEROL (M+H)+[-H2O] | 16542.44 | - | 7114.67 | 29103.00 | 12214.75 | 14670.00 | 13618.20 | 34475.00 | 15415.11 | 28039.00 | 10174.50 | - | 7308.83 | 6559.00 | 9972.12 | 10469.00 | 13487.20 | 45264.00 | 17601.43 | 3900.00 | |
| DODECENOYLCARNITINE (*) II M+ | 14848.33 | 17131.00 | 27566.54 | 20926.00 | 26511.86 | 9803.00 | 21246.50 | 16265.00 | 31849.75 | 17287.50 | 15246.50 | 18261.67 | 21816.28 | 20143.33 | 23313.57 | 4551.00 | 16604.67 | - | 23229.50 | 31847.00 | |
| DOXYLAMINE (M+H)+ | 6046.00 | 5781.50 | 6064.31 | 4821.00 | 5769.10 | 6015.00 | 5335.00 | - | 5677.38 | 8636.00 | 5234.78 | 5831.00 | 6119.23 | 6499.50 | 5992.90 | 5949.00 | 6011.25 | - | 6049.50 | 4073.00 | |
| EDTA (M+H)+ | 127256.92 | 237732.50 | 205617.08 | 170551.00 | 201174.08 | 125692.50 | 253942.43 | 336995.00 | 253599.50 | 91001.00 | 179729.58 | 110037.00 | 226971.44 | 125739.00 | 168517.50 | 249887.50 | 221748.00 | 464629.00 | 254621.50 | 81773.00 | |
| EDTA (M+NA)+ | 561697.40 | 230425.00 | 553371.46 | 464089.00 | 457781.33 | 97602.00 | 280923.67 | 283842.00 | 442650.58 | 257859.67 | 589999.73 | 591061.00 | 580354.38 | 233453.33 | 603509.00 | 85567.00 | 975269.17 | 1443146.00 | 361357.70 | 345171.00 | |
| ELAIDIC ACID (M+H)+ | 28070.50 | 23807.00 | 14034.45 | 16948.25 | 18943.00 | 19431.50 | 23801.50 | 37600.00 | 27730.71 | 23013.67 | 21150.31 | 25639.67 | 12497.78 | 19276.50 | 15040.59 | 20955.00 | 18554.33 | 28086.00 | 23285.57 | 24801.67 | |
| GLUCOSE (M+NA)+ | 12543.50 | 10770.00 | 14676.94 | 24982.00 | 13132.44 | 31633.50 | 23683.50 | 13158.00 | 19250.35 | 12608.00 | 23392.94 | 6703.67 | 10452.33 | 10026.00 | 28550.45 | 29513.00 | 15814.56 | 6238.00 | 21218.57 | 9471.33 | |
| GLUTARYLCARNITINE (*) (M+H)+ | 416496.53 | 540648.67 | 456290.81 | 408384.75 | 459322.85 | 536562.50 | 453462.89 | 507134.00 | 424199.24 | 739289.67 | 449066.50 | 519184.00 | 401708.76 | 430126.25 | 411800.95 | 650812.00 | 278006.33 | 104718.00 | 409673.80 | 503143.67 | |
| GLYCEROL MYRISTATE (M+H)+[-H2O] | 2465.73 | 2184.00 | 3335.12 | 1848.00 | 3492.25 | 1874.50 | 4203.17 | 1442.00 | 2416.00 | - | 3473.92 | 2160.50 | 3193.52 | 3164.00 | 3875.38 | 2786.00 | 2212.14 | 2842.00 | 2963.00 | 4554.00 | |
| GLYCEROL MYRISTATE (M+NA)+ | 9536.89 | 9889.00 | 11690.94 | 12578.00 | 13137.55 | 14181.50 | 8653.88 | 12427.00 | 10371.12 | 11934.67 | 9839.24 | 12465.67 | 11719.06 | 11046.25 | 12027.35 | 15630.00 | 9647.44 | 13771.00 | 11171.31 | 9351.33 | |
| GLYCOCHOLIC ACID (M+H)+ | 19519.83 | 29859.67 | 38805.50 | 12850.50 | 33304.06 | 26063.50 | 9340.67 | 37011.00 | 17240.59 | 10549.67 | 22096.12 | 31564.67 | 35980.34 | 14784.00 | 20399.07 | 45812.00 | 8926.86 | 30022.00 | 12573.71 | 26982.00 | |
| GLYCOCHOLIC ACID (M+H)+[-H2O] | 11284.60 | 13309.67 | 21666.30 | 4878.50 | 17945.40 | 12548.00 | 5300.40 | 20957.00 | 12442.25 | 7780.50 | 12042.13 | 15411.67 | 19188.54 | 10894.00 | 11611.07 | 20599.00 | 6486.20 | 12135.00 | 9441.22 | 13531.00 | |
| GLYCOCHOLIC ACID (M+NA)+ | 32973.00 | 58761.00 | 67947.77 | 20659.50 | 66994.06 | 39765.00 | 16292.67 | 51489.00 | 37837.86 | 24286.00 | 36835.41 | 51298.00 | 64505.34 | 27756.00 | 32395.50 | 43673.00 | 19134.40 | 32159.00 | 21881.69 | 57948.00 | |
| HEXANOYLCARNITINE (*) M+ | 161813.80 | 142433.00 | 88356.88 | 73726.33 | 143489.53 | 129381.00 | 159439.57 | 99079.00 | 127359.42 | 370649.33 | 107140.07 | 52868.00 | 109526.00 | 91390.33 | 186980.80 | 72905.00 | 112069.00 | 30063.00 | 232443.10 | 70744.33 | |
| HIPPURIC ACID (M+H)+ | 332553.00 | 248613.67 | 477833.89 | 156875.50 | 361302.61 | 4617.00 | 219628.89 | 24607.00 | 365344.21 | 531847.33 | 461252.09 | 293601.00 | 412301.31 | 411788.33 | 308405.73 | 10362.00 | 269044.75 | - | 394064.42 | 478469.67 | |
| HIPPURIC ACID (M+NA)+ | 1245671.44 | 919211.33 | 2022258.85 | 1104514.00 | 1684449.12 | 263598.00 | 997848.29 | 2168639.00 | 1556636.92 | 2384737.00 | 1482266.00 | 1093687.67 | 1700156.69 | 2263332.00 | 1283067.33 | 303477.00 | 1275623.86 | 2315403.00 | 1582362.83 | 2135971.67 | |
| IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O] | 23210.25 | - | 268494.00 | - | - | - | - | - | 32760.00 | 2452.00 | 19018.50 | - | 224062.62 | - | 7541.00 | - | 3391.00 | - | 346361.50 | - | |
| IBUPROFEN CARBOXYLIC ACID (M+NA)+ | 224008.11 | 5608.00 | 2212109.89 | 28511.00 | 14211.14 | 17757.00 | 893154.17 | 9166.00 | 405012.25 | 23506.00 | 196344.75 | - | 2692107.50 | 16857.33 | 26070.31 | 24113.00 | 831760.20 | 10611.00 | 1761135.11 | 7349.50 | |
| IBUPROFEN (M+NA)+ | 16505.75 | - | 79789.64 | 9068.00 | 4260.88 | - | 6493.75 | - | 13672.88 | 2275.00 | 13488.50 | - | 59545.81 | - | 5524.57 | - | 6531.00 | - | 32303.29 | 4080.00 | |
| INDOLE-3-ACETALDEHYDE (M+H)+ | 177340.31 | 158666.00 | 116349.67 | 157651.67 | 117884.69 | 8797.00 | 151138.00 | 181818.00 | 140904.73 | 99987.00 | 166598.73 | 186365.00 | 142328.59 | 131416.75 | 109317.79 | 55715.00 | 138287.57 | 253703.00 | 107646.36 | 114074.50 | |
| INDOLE-3-ACETIC ACID (M+H)+ | 144023.00 | 199198.33 | 197145.48 | 229842.50 | 288227.35 | 424808.50 | 179572.44 | 287648.00 | 152813.12 | 236290.67 | 161529.44 | 244799.33 | 177911.00 | 275647.75 | 301314.25 | 408479.50 | 180266.22 | 283294.00 | 186531.43 | 156940.67 | |
| INDOLE-3-ACETIC ACID (M+NA)+ | 176759.11 | 254552.00 | 240612.76 | 279278.75 | 389436.85 | 525027.00 | 218394.44 | 330526.00 | 189450.29 | 300742.67 | 196911.94 | 300695.33 | 218972.18 | 344448.50 | 432971.70 | 484934.00 | 227064.56 | 350479.00 | 224042.71 | 193066.67 | |
| ISO-BUTYRYLCARNITINE (*) (M+H)+ | 846444.72 | 859339.67 | 995995.82 | 765327.50 | 1161513.25 | 421148.00 | 1141824.56 | 1739124.00 | 632637.56 | 1560740.00 | 741490.28 | 952053.67 | 998279.76 | 814198.00 | 1112407.05 | 448504.50 | 687119.33 | 1108955.00 | 898485.57 | 1048876.33 | |
| ISOLEUCINE (M+H)+ | 22605299.78 | 25557906.00 | 22376206.42 | 23277976.75 | 23095111.40 | 23260828.50 | 21704374.11 | 23124013.00 | 22007443.12 | 26401113.67 | 22266979.61 | 24582871.67 | 21914430.06 | 22319678.50 | 22447552.30 | 24014363.00 | 21961570.44 | 23990821.00 | 21523457.79 | 24105722.33 | |
| ISOLEUCINE (M+NA)+ | 618828.61 | 578837.67 | 516616.76 | 553416.00 | 548018.70 | 525571.00 | 515073.11 | 371993.00 | 568776.53 | 608051.33 | 559130.39 | 651627.33 | 481977.61 | 492871.50 | 533495.50 | 557139.50 | 563660.00 | 670128.00 | 584294.79 | 522067.00 | |
| ISOVALERYLCARNITINE (*) (M+H)+ | 445977.50 | 420270.67 | 710611.91 | 594924.00 | 704634.70 | 377919.00 | 436750.89 | 277268.00 | 368426.00 | 1083929.67 | 377398.06 | 421561.67 | 665792.91 | 418781.00 | 584972.05 | 416566.50 | 312633.11 | 205487.00 | 431525.07 | 335527.00 | |
| KYNURENIC ACID (M+H)+ | 39235.29 | 47170.50 | 37061.17 | 40712.00 | 63294.71 | 42620.50 | 28866.80 | 10795.00 | 45598.11 | - | 39050.14 | 48000.00 | 32646.92 | 34561.00 | 66448.00 | 46803.50 | 30822.00 | 9618.00 | 46505.00 | - | |
| KYNURENINE (M+H)+ | 442114.83 | 441910.67 | 391081.82 | 363874.50 | 565300.20 | 338658.50 | 487134.11 | 238126.00 | 475661.29 | 448967.33 | 483019.50 | 432172.67 | 394250.58 | 347159.50 | 519560.25 | 357535.50 | 563836.44 | 252937.00 | 479699.14 | 445319.00 | |
| KYNURENINE (M+NA)+ | 72198.83 | 53076.67 | 74813.12 | 92078.00 | 87244.53 | 40165.00 | 80379.00 | 29753.00 | 80895.47 | 100370.33 | 63431.78 | 53014.67 | 71508.52 | 59477.25 | 74402.63 | 44672.50 | 87461.89 | 27897.00 | 89410.43 | 69004.33 | |
| LAUROYLCARNITINE (M+H)+ | 24750.61 | 22756.67 | 44077.06 | 25506.50 | 38051.55 | 16288.50 | 25466.57 | 17865.00 | 37506.35 | 25002.67 | 26987.62 | 16974.33 | 38185.06 | 29894.25 | 37875.95 | 18304.50 | 21755.12 | 16147.00 | 15554.43 | 19687.00 | |
| L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ | 1135291.56 | 1099203.67 | 1046626.36 | 1066799.25 | 1172052.85 | 1037385.50 | 1139653.56 | 1076927.00 | 1115002.82 | 1021807.67 | 1147715.56 | 1086481.33 | 1074866.82 | 1087959.25 | 1210532.65 | 1030698.00 | 1179495.00 | 1175587.00 | 1113140.86 | 1093422.33 | |
| LUMICHROME (M+NA)+ | 8322.75 | 5566.00 | 8759.87 | 5545.25 | 17002.41 | 33405.00 | 6405.57 | 6667.00 | 6513.11 | 4636.00 | 6070.06 | 5936.00 | 6819.56 | 4703.25 | 13614.82 | 30095.00 | 5940.50 | - | 4910.44 | 17649.00 | |
| LYSINE (M+H)+ | 7416.36 | 13272.00 | 9851.10 | 10276.00 | 8932.71 | 13076.00 | 8654.20 | - | 8735.11 | 3740.67 | 6387.33 | 18122.00 | 7939.13 | 7641.25 | 8366.00 | 14018.00 | 9845.00 | - | 7743.33 | 2842.67 | |
| METHIONINE (M+H)+ | 680329.39 | 706977.67 | 900544.36 | 783745.00 | 855790.35 | 739659.50 | 705208.00 | 637693.00 | 719145.47 | 1202470.33 | 682643.11 | 725179.00 | 834435.21 | 787513.00 | 854920.50 | 768311.50 | 673995.00 | 724143.00 | 713020.00 | 656497.33 | |
| METHYL INDOLE-3-ACETATE (M+H)+ | 39918.64 | 24450.00 | 41489.50 | 73903.33 | 150428.77 | 44539.00 | 62906.33 | 48271.00 | 39375.40 | 49828.33 | 44471.69 | 60785.00 | 38039.00 | 79089.67 | 170517.67 | 34848.00 | 40238.00 | 45998.00 | 54959.86 | 46921.00 | |
| METHYL INDOLE-3-ACETATE (M+NA)+ | 73809.00 | 47619.00 | 82930.32 | 148136.00 | 204363.13 | 95963.00 | 111153.57 | 98729.00 | 67647.67 | 101555.00 | 75688.53 | 115420.00 | 69520.88 | 157632.67 | 211962.67 | 68867.00 | 82261.14 | 93382.00 | 80859.90 | 90581.67 | |
| METHYL JASMONATE (M+H)+ | 16460.75 | - | 17526.43 | - | 37897.50 | 15556.00 | 18113.00 | 25418.00 | 19590.80 | - | 23006.00 | - | 15603.00 | - | 53433.67 | - | 30719.33 | 22981.00 | 21783.80 | - | |
| MYRISTOYLCARNITINE (*) (M+H)+ | 7767.00 | 9342.50 | 6201.00 | 2228.00 | 4185.33 | - | 4523.50 | - | 3274.67 | - | 7183.33 | 7436.50 | 5288.12 | - | 3777.67 | - | 7695.00 | - | 3069.00 | - | |
| N-ACETYL-DL-SERINE (M+H)+[-H2O] | 31673.75 | 30069.00 | 32163.12 | 38365.00 | 36395.73 | 38502.00 | 37650.14 | 51412.00 | 40000.75 | 39100.00 | 38399.00 | 42135.00 | 32267.76 | 31366.67 | 44500.83 | 38546.50 | 20488.14 | 30569.00 | 31661.91 | 35693.00 | |
| N-ACETYL-L-PHENYLALANINE (M+NA)+ | 7629.17 | 5321.00 | 9118.47 | 4584.00 | 8587.25 | 7152.50 | 4005.20 | 4989.00 | 6386.50 | - | 7552.00 | 6433.50 | 9130.50 | 7103.00 | 8516.67 | 8897.00 | 4653.50 | 6073.00 | 7958.12 | - | |
| NAPROXEN (M+H)+ | 407861.57 | 26289107.00 | 1799253.25 | 10372768.33 | 213348.44 | 320269.50 | 728460.50 | - | 91320.67 | 76170.00 | 7070406.00 | - | 375192.12 | 11197543.33 | 351574.50 | 646013.00 | 462303.00 | 3174.00 | - | 29564454.00 | |
| NAPROXEN (M+NA)+ | 3955649.50 | 2565450.00 | 2729939.67 | 3292508.67 | 1277707.60 | 2357128.00 | 4535013.00 | - | 2131.00 | 1634.00 | 3774685.60 | - | 1113543.75 | 2075409.67 | 1389337.40 | 2293131.00 | 4596111.00 | - | 2486.00 | 2888141.00 | |
| N-CYCLOHEXYLFORMAMIDE (M+H)+ | 65445.00 | 66011.00 | 66496.68 | 64370.33 | 69456.27 | 65897.00 | 60491.00 | 109529.00 | 54759.42 | 48237.67 | 59490.67 | 29082.00 | 51402.56 | 54422.33 | 64927.20 | 46322.00 | 69391.43 | 22121.00 | 54843.90 | 66661.33 | |
| N-CYCLOHEXYLFORMAMIDE (M+NA)+ | 89861.39 | 91078.67 | 91081.67 | 96396.50 | 95172.75 | 90224.00 | 86867.44 | 157897.00 | 76626.24 | 69270.67 | 83328.56 | 71271.67 | 75365.30 | 77526.75 | 91317.40 | 88014.00 | 98258.78 | 40358.00 | 76770.07 | 97239.00 | |
| NICOTINAMIDE (M+H)+ | 91186.81 | 77643.50 | 127097.14 | 91138.33 | 116705.40 | 154481.50 | 288863.75 | 39814.00 | 105029.86 | 125069.67 | 121546.47 | 80873.33 | 136504.24 | 141456.33 | 131802.62 | 160491.50 | 142150.78 | 54529.00 | 107529.50 | 116513.50 | |
| N-METHYL-GLUTAMIC ACID (M+NA)+ | 17063.00 | 24608.00 | 67496.45 | 6797.00 | 144882.38 | 17661.50 | 14155.50 | 6523.00 | 20577.00 | - | 17968.00 | 26718.00 | 60067.75 | - | 139354.25 | 27504.00 | 16191.33 | 3890.00 | 22882.00 | - | |
| OCTENOYLCARNITINE (*) M+ | 549601.87 | 71189.00 | 320780.84 | 147382.67 | 384069.13 | 209456.00 | 346489.14 | 203573.00 | 322706.75 | 897232.00 | 382954.00 | 245817.00 | 450366.08 | 171543.00 | 429612.13 | 124003.00 | 313399.00 | 36242.00 | 593197.70 | 103191.00 | |
| OLEAMIDE (M+H)+ | 5471.00 | - | - | - | 4361.50 | - | - | - | 5811.50 | 11580.00 | 1105.00 | - | 2961.00 | 1060.00 | 94289.00 | - | 3185.00 | - | 27912.00 | 7718.00 | |
| OLEIC ACID (M+H)+ | 2553.00 | - | 1438.60 | - | 2139.00 | 531.00 | 1849.00 | 806.00 | 1983.33 | - | 2348.67 | - | 2445.00 | - | 1775.50 | 1664.00 | 2333.00 | 3064.00 | 1685.25 | - | |
| OLEIC ACID (M+NA)+ | 13346.50 | 11838.00 | 13127.36 | 15851.33 | 18665.67 | 16201.50 | 13425.80 | 7829.00 | 8837.11 | 7596.50 | 19646.80 | 8482.00 | 16415.29 | 13657.67 | 20070.83 | 14967.00 | 11606.20 | 11865.00 | 13540.33 | 9925.00 | |
| OLEOYL-GLYCEROL (M+H)+ | 6600.20 | - | 4069.60 | 2742.00 | 6621.75 | 9162.00 | 7999.00 | 6259.00 | 8159.60 | 3806.00 | 5492.60 | 6242.00 | 5549.33 | 6873.00 | 4573.50 | 6022.00 | 5101.00 | 11089.00 | 5495.00 | 2453.00 | |
| OLEOYL-GLYCEROL (M+NA)+ | 139365.28 | 180680.67 | 78789.45 | 103750.75 | 116416.60 | 138175.50 | 117700.78 | 188893.00 | 138084.65 | 135294.67 | 111475.78 | 281598.00 | 74195.52 | 82350.75 | 93189.20 | 129514.00 | 128565.78 | 283212.00 | 154680.93 | 102529.67 | |
| OMEPRAZOLE (M+H)+ | 154653.00 | - | 377840.25 | - | 576527.17 | 668249.00 | 448630.80 | 978435.00 | 993335.17 | 132074.00 | 182595.57 | 521365.00 | 666703.67 | 394446.00 | 654783.00 | 443652.00 | 45789.00 | 1003357.00 | 684625.33 | 135429.00 | |
| OMEPRAZOLE SULFONE (2M+NA)+ | 574122.78 | 987370.00 | 653749.33 | 31539.00 | 1179936.00 | 1099305.50 | 2904747.71 | 536377.00 | 2349315.44 | 490382.00 | 813996.70 | 1542566.67 | 463174.88 | 1476518.00 | 1434327.50 | 1245606.50 | 2304142.33 | 535912.00 | 1878533.29 | 720450.00 | |
| OMEPRAZOLE SULFONE (M+H)+ | 1308824.55 | - | 3115384.86 | 5931.00 | 3051471.00 | 1534020.00 | 5059772.40 | 2711123.00 | 6997170.12 | 1001181.00 | 2096135.55 | 8679422.00 | 1860082.38 | 2949095.50 | 5472257.57 | 1457872.00 | 2966871.50 | 2733761.00 | 5260229.00 | 1095810.67 | |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M+H)+ | 168505.00 | 120718.00 | 40180.00 | 2602.00 | 91349.00 | 73118.00 | 1322852.00 | - | 1899.00 | - | 114915.50 | 96501.00 | 1145.00 | - | 343392.60 | 63191.00 | - | - | 1606.00 | - | |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+ | 252977.00 | 287717.00 | 56044.00 | 14546.00 | 183204.75 | 179784.00 | 840149.00 | - | 19594.00 | - | 187981.50 | 117900.00 | 8128.33 | - | 501180.60 | 195051.00 | 2672.00 | - | 25470.00 | - | |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+NA)+ | 256612.67 | 291522.00 | 84406.67 | 25857.00 | 220036.25 | 96729.00 | 21529.00 | - | 64739.00 | - | 230233.83 | 148762.00 | 22411.00 | - | 192814.40 | 96590.00 | 6810.00 | - | 43439.67 | - | |
| PANTOTHENIC ACID (M+H)+ | 75640.81 | 91289.33 | 56252.26 | 27850.00 | 89420.90 | 44815.50 | 75452.33 | 69062.00 | 43050.18 | 56134.33 | 79483.17 | 43143.00 | 68134.73 | 41757.00 | 90490.95 | 49868.50 | 61471.00 | 73011.00 | 68010.79 | 182852.67 | |
| PANTOTHENIC ACID (M+NA)+ | 169386.00 | 193680.33 | 154660.97 | 106387.75 | 275281.11 | 172833.50 | 200004.22 | 38985.00 | 147137.25 | 134934.33 | 191372.72 | 160101.33 | 196675.12 | 134354.25 | 219740.90 | 187712.00 | 242286.11 | 123446.00 | 242323.93 | 534978.67 | |
| PHENYLALANINE (M+H)+ | 619357.94 | 553603.00 | 629151.25 | 866973.25 | 613824.70 | 495685.50 | 685287.78 | 625521.00 | 649069.65 | 364382.00 | 606730.88 | 554348.00 | 596031.24 | 568012.00 | 619850.05 | 480375.00 | 617866.44 | 588753.00 | 794241.07 | 676181.33 | |
| PHENYLALANINE (M+NA)+ | 80677.13 | 58122.00 | 72086.48 | 79535.00 | 66971.60 | 39232.00 | 58724.43 | 88380.00 | 81217.17 | 56210.00 | 66670.13 | 66590.00 | 71256.48 | 68210.00 | 73548.07 | 103621.00 | 72440.71 | 93515.00 | 85113.70 | 66350.67 | |
| PROLINE (M+H)+ | 210433.00 | 203373.00 | 200582.15 | 123237.67 | 177022.32 | 214800.50 | 192291.78 | 247354.00 | 203823.50 | 223987.67 | 165902.18 | 114636.00 | 197813.12 | 153934.67 | 198541.70 | 182281.00 | 139469.67 | 186538.00 | 179814.21 | 172668.67 | |
| PROLINE (M+NA)+ | 18133.00 | - | 30983.44 | - | 16697.00 | 4087.00 | 4787.50 | 9240.00 | 14412.20 | - | 20757.75 | - | 31358.25 | - | 65391.00 | 3542.00 | 5093.00 | 8065.00 | 14519.20 | - | |
| PROPIONYLCARNITINE (*) (M+H)+ | 146354.91 | 162638.00 | 145438.43 | 176395.00 | 187138.87 | 151252.50 | 359745.71 | 122568.00 | 129785.50 | 283689.00 | 157132.30 | 110696.00 | 174008.32 | 179672.00 | 128435.87 | 56318.00 | 228538.80 | - | 225262.91 | 123771.50 | |
| S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ | 18214.28 | 16996.33 | 17233.30 | 15848.50 | 18624.10 | 18105.50 | 22632.22 | 14746.00 | 17454.31 | 22757.33 | 17424.39 | 17553.33 | 15464.79 | 22124.75 | 20273.53 | 19540.50 | 25342.00 | 17137.00 | 17737.23 | 21873.67 | |
| SALICYLURIC ACID (M+H)+ | 169553.00 | - | 194197.57 | 68636.50 | 39733.00 | - | 15343.00 | - | 1107.00 | - | 89167.33 | - | 57145.75 | 26582.00 | 274622.50 | - | - | - | - | - | |
| SALICYLURIC ACID (M+NA)+ | 58381.00 | - | 157830.11 | 57581.00 | 16630.00 | - | - | - | 797.00 | 2932.00 | 54150.67 | - | 15331.00 | 26695.00 | 328289.75 | - | - | - | 2012.00 | - | |
| SEBACIC ACID (M+NA)+ | 29456.64 | 24587.00 | 18798.44 | 19466.67 | 34860.27 | 16536.00 | 38498.43 | 81647.00 | 19857.08 | 18167.67 | 27101.93 | 38583.00 | 16489.96 | 36918.67 | 31750.07 | - | 37191.00 | 80474.00 | 18265.67 | 29912.00 | |
| SEROTONIN (M+H)+ | 219475.00 | 620016.00 | 380630.75 | - | 2406091.00 | - | 948264.00 | 152627.00 | 337357.00 | - | 409971.00 | 665929.00 | 391428.00 | - | 1019221.33 | - | 726747.00 | 219031.00 | 436946.00 | - | |
| SUBERIC ACID (M+NA)+ | 20317.88 | 28914.50 | 27630.43 | 15913.00 | 21457.22 | 20718.00 | 18184.25 | - | 23609.11 | 21437.00 | 41328.57 | 44947.00 | 25267.92 | 13213.00 | 28954.57 | - | 18123.75 | - | 27107.86 | 18172.00 | |
| TETRADECENOYLCARNITINE (*) M+ | 23883.25 | 31128.00 | 37491.43 | 20709.00 | 47379.67 | - | 28136.50 | - | 45590.25 | 19387.50 | 27577.12 | 19385.67 | 19643.85 | 77944.00 | 68920.17 | - | 31673.00 | - | 30823.00 | 32939.50 | |
| THEOBROMINE (M+H)+ | 686583.06 | 281776.33 | 768346.06 | 951603.00 | 707797.32 | 286131.50 | 408521.44 | - | 527206.00 | 1063615.67 | 459029.71 | 195399.00 | 860976.48 | 464666.50 | 567367.17 | 342248.00 | 381031.44 | - | 950310.85 | 361240.00 | |
| THEOBROMINE (M+NA)+ | 95718.28 | 69465.50 | 118223.19 | 76369.67 | 83668.28 | 58294.00 | 74588.33 | 12743.00 | 111559.60 | 165166.00 | 100394.24 | 53949.33 | 97510.42 | 114146.50 | 89140.10 | 84142.00 | 97450.11 | 5785.00 | 98565.29 | 47830.00 | |
| THEOPHYLLINE (M+H)+ | 248909.91 | 326890.00 | 249464.58 | 157077.00 | 380986.73 | 172629.50 | 284725.50 | - | 260891.83 | 167160.00 | 209465.60 | 193380.00 | 466604.83 | 634501.00 | 218841.14 | 179187.00 | 210168.40 | - | 255528.70 | 250015.00 | |
| THEOPHYLLINE (M+NA)+ | 228814.82 | 236909.67 | 205130.25 | 218297.50 | 256845.58 | 112961.50 | 254509.00 | 19651.00 | 247165.00 | 127703.67 | 211936.81 | 111941.00 | 268554.60 | 343211.75 | 174238.55 | 119532.00 | 198483.00 | 23185.00 | 187676.86 | 165867.67 | |
| THYROXINE (M+H)+ | 29195.56 | 28284.67 | 26511.48 | 25291.50 | 27795.80 | 20978.50 | 28562.33 | 24372.00 | 27159.18 | 25227.67 | 29435.28 | 32016.67 | 26033.06 | 26859.25 | 26208.90 | 21874.50 | 27972.00 | 25624.00 | 28418.00 | 22233.67 | |
| TRYPTOPHAN (M+H)+ | 8053107.50 | 9576708.67 | 10430471.09 | 9406286.75 | 9950591.45 | 10281394.50 | 8346028.00 | 7470898.00 | 8453591.47 | 11523158.00 | 8014574.39 | 9923564.67 | 10137418.73 | 9262886.75 | 9457513.05 | 10228071.50 | 8290967.44 | 7490437.00 | 8624154.71 | 8402750.00 | |
| TRYPTOPHAN (M+NA)+ | 1057112.28 | 1011620.67 | 1279535.61 | 1250575.25 | 1212571.30 | 1147760.50 | 896612.11 | 839474.00 | 1026853.24 | 1389588.33 | 988453.78 | 1045719.33 | 1269548.27 | 1082018.75 | 1096833.00 | 1165210.50 | 983243.11 | 862233.00 | 1199972.21 | 930488.00 | |
| TYROSINE (M+H)+ | 2881558.59 | 2716071.67 | 3566420.45 | 3203566.50 | 3243910.35 | 3110585.00 | 2606325.44 | 2478094.00 | 2784269.29 | 3855140.67 | 2649823.83 | 3040782.67 | 3470216.88 | 2727735.25 | 3129715.75 | 3151994.50 | 2785399.56 | 2734368.00 | 2686538.14 | 2627520.67 | |
| TYROSINE (M+NA)+ | 248829.78 | 155728.00 | 264136.21 | 226410.00 | 226897.40 | 253779.50 | 220657.43 | 229052.00 | 228409.38 | 320026.00 | 202636.39 | 249503.33 | 245786.44 | 216908.50 | 217940.75 | 272754.50 | 219063.25 | 260086.00 | 217586.64 | 269954.50 | |
| URIC ACID (M+H)+ | 53673.14 | 73091.50 | 57077.47 | 64901.00 | 65951.00 | 57805.50 | 40379.40 | - | 62301.12 | - | 77863.57 | 78964.50 | 83648.06 | 66980.00 | 79367.89 | 67499.50 | 109823.20 | 62195.00 | 77582.75 | - | |
| URIDINE (M+NA)+ | 44804.33 | 74489.00 | 46517.32 | 61727.33 | 40630.17 | 34693.50 | 42455.00 | 19264.00 | 40899.29 | 38283.67 | 42364.44 | 52007.33 | 42257.31 | 47540.75 | 40353.20 | 41516.50 | 53279.22 | 35975.00 | 46839.07 | 59827.33 | |
| VALINE (M+H)+ | 1905636.11 | 2236211.67 | 2014619.61 | 2397626.25 | 1801234.35 | 1821003.50 | 2146304.56 | 2925197.00 | 2145756.06 | 1125346.67 | 1705169.17 | 1944153.33 | 1779508.21 | 1512214.50 | 1941283.95 | 1812681.00 | 1768048.67 | 2184775.00 | 1651735.33 | 2133249.67 | |
| VALINE (M+NA)+ | 56528.00 | 76274.00 | 55198.00 | 17479.00 | 94644.40 | 238511.00 | 36616.50 | - | 52082.75 | - | 233280.50 | 87335.00 | 75896.12 | - | 153937.80 | 46556.00 | 56033.00 | - | 167176.75 | - | |
| ZEATIN [ISTD] (M+H)+ | 234803.94 | 241848.00 | 247166.09 | 238927.00 | 239290.15 | 229181.00 | 246784.44 | 226935.00 | 225772.35 | 234159.67 | 253901.83 | 237335.33 | 257587.06 | 248984.00 | 235490.55 | 229371.50 | 245759.56 | 222230.00 | 228677.07 | 231325.33 |
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 |
