Data for ST000711
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|---|
| 10-HYDROXYDECANOIC ACID (M-H)- | 4974.00 | - | - | 4791.00 | - | 2259.00 | |
| 16:0-18:0 PC (M+CL)- | 36215.00 | 31914.00 | 27593.50 | 44919.67 | 25363.00 | 38038.00 | |
| 16:0 LYSO PC (M+CL)- | - | - | 33006.00 | 20278.00 | 1491.00 | - | |
| 18:0 LYSO-PE (M-H)- | 27588.50 | 496545.00 | 156311.00 | 213810.67 | 227516.50 | 371452.00 | |
| 1-HYDROXY-2-NAPHTHOIC ACID (M-H)- | - | - | 7926.00 | 91238.25 | - | - | |
| 1-METHYLURIC ACID (M-H)- | - | - | 28382.00 | 36434.00 | 1411.00 | 3422.00 | |
| 2^-DEOXYGUANOSINE #2 (M-H)- | - | - | - | 420834.00 | - | 140270.50 | |
| 2^-DEOXYINOSINE (M+CL)- | 23184.00 | - | 81771.00 | 107155.80 | 34362.00 | 75376.00 | |
| 2^-DEOXYINOSINE (M-H)- | 61961.00 | - | 1997679.33 | 876494.57 | 466174.50 | 903892.67 | |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- | 136432.50 | 202422.50 | 220965.33 | 137011.78 | 76340.50 | 119289.00 | |
| 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)- | - | 4332.00 | 4736.00 | 8559.00 | 3494.50 | 3924.00 | |
| 2-METHYLMALEIC ACID #2 (M-H)- | 13517.00 | - | - | 98534.00 | - | - | |
| 2-METHYLMALEIC ACID (M-H)- | 8723.00 | 10819.00 | 225815.33 | 63093.57 | 31716.00 | 40266.50 | |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- | 114068.50 | 167345.00 | 249671.67 | 190658.33 | 90925.00 | 130345.00 | |
| 3-METHOXY-4-HYDROXYMANDELIC ACID (M-H)- | - | - | 3649.00 | - | - | - | |
| 3-METHYL-2-OXOPENTANOIC ACID (M-H)- | 1471236.50 | 419631.00 | 418024.17 | 517944.78 | 461254.50 | 628128.67 | |
| 3-METHYLXANTHINE (M-H)- | - | 8685.00 | 2213.67 | 6980.50 | - | 2720.00 | |
| 3-PHOSPHOGLYCERIC ACID (M-H)- | - | 88176.00 | 8435.00 | 56425.00 | - | - | |
| 3-SULFINO-L-ALANINE (M-H)- | - | - | 2398.00 | - | - | 9345.00 | |
| 4-ACETAMINOPHEN SULFATE (M-H)- | 15676.00 | - | 293861.00 | 541090.67 | - | - | |
| 4-COUMARIC ACID (M-H)- | 16412.00 | - | 27913.00 | 27571.00 | - | - | |
| 4-HYDROXYBENZOIC ACID (M-H)- | 27999.00 | 2655.00 | 14109.40 | 8273.60 | 10956.00 | 10980.67 | |
| 4-HYDROXYPHENYLACETIC ACID (M-H)- | - | 32322.00 | 17163.67 | 21727.88 | 36045.50 | 118416.67 | |
| 5-HYDROXYTRYPTOPHAN (M-H)- | - | 59989.00 | 14791.00 | 57855.50 | 47198.00 | 33595.00 | |
| ACETAMINOPHEN (TN TYLENOL) (M-H)- | 19013.00 | - | 135198.00 | 32042.00 | - | - | |
| ARACHIDIC ACID (M-H)- | 80598.50 | 251105.50 | 220795.17 | 137789.44 | 90548.00 | 131890.67 | |
| ARACHIDONIC ACID (M-H)- | 2403200.50 | 8689917.50 | 6138044.00 | 4662298.67 | 2994804.00 | 4503762.33 | |
| ASPARTIC ACID (M-H)- | 16457.00 | 54268.00 | 31457.50 | 35521.00 | 93685.50 | 33542.00 | |
| AZELAIC ACID (M-H)- | 54833.00 | 91503.50 | 40436.33 | 43477.00 | 24313.50 | 33357.33 | |
| BEHENIC ACID (M-H)- | 75892.00 | 191959.00 | 156270.17 | 119524.67 | 101843.00 | 132068.67 | |
| BENZOIC ACID #2 (M-H)- | 2764.00 | - | 40071.00 | - | - | - | |
| BILIVERDIN (M-H)- | - | - | 5142.00 | 3129.00 | 4078.00 | 3086.00 | |
| C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)- | - | 5906.50 | 3423.00 | 2708.50 | 1964.00 | 3206.00 | |
| CHOLIC ACID (M+CL)- | - | 4700.50 | 8386.50 | 2266.00 | - | - | |
| CHOLIC ACID (M-H)- | - | 130600.50 | 111708.00 | 43647.00 | 18401.00 | - | |
| CIS-11-EICOSENOIC ACID (M-H)- | 227536.00 | 1753186.00 | 624065.83 | 360957.56 | 263488.00 | 296219.67 | |
| CITRULLINE (M-H)- | - | 40188.00 | 16399.33 | 66290.00 | - | 42929.00 | |
| CORTISOL (M+CL)- | 3255.00 | 6122.00 | 5147.25 | 15695.67 | 4078.00 | 5963.00 | |
| CORTISONE (M+CL)- | 7584.00 | 11027.00 | 10723.50 | 6559.29 | 9302.00 | 11091.00 | |
| DECANOIC ACID (M-H)- | - | - | 4914.50 | 3571.00 | 4081.00 | - | |
| DEHYDROASCORBIC ACID (M+CL)- | 60354.00 | 18754.00 | 13646.50 | 11804.33 | 5981.50 | 6825.50 | |
| DEOXYCHOLIC ACID (M+CL)- | - | 4820.50 | 6789.00 | 3846.50 | - | - | |
| DEOXYCHOLIC ACID (M-H)- | - | 112080.50 | 78531.00 | 65067.50 | - | - | |
| DETHIOBIOTIN (2M-H)- | 40784.00 | 27578.00 | 92462.80 | 97206.56 | 107204.50 | 130076.67 | |
| D-GLUCOSE 6-PHOSPHATE (M-H)- | 31184.00 | 11691.00 | 1436.00 | 1798.00 | - | - | |
| DOCOSAHEXAENOIC ACID (M-H)- | 247433.00 | 725317.50 | 814748.17 | 525001.78 | 144703.00 | 268366.33 | |
| EPIBRASSINOLIDE [ISTD] (M+CL)- | 36196.00 | 36217.50 | 39141.67 | 40182.11 | 35055.50 | 35848.33 | |
| ERUCIC ACID (M-H)- | 229272.50 | 430947.50 | 405339.67 | 345410.67 | 123429.50 | 257263.33 | |
| FLAVIN ADENINE DINUCLEOTIDE (M-H)- | 11631.50 | 74881.00 | 55213.00 | 57022.00 | 44537.00 | 55516.00 | |
| GENTISURIC ACID (2M-H)- | - | - | 24169.33 | 38177.50 | 8220.50 | 14387.67 | |
| GLUCONIC ACID (M-H)- | 31423.00 | 60124.00 | 29602.00 | 49768.00 | 1049478.50 | 277260.67 | |
| GLUCOSE (M+CL)- | 210178.00 | 113736.50 | 637655.33 | 425981.00 | 113251.00 | 130041.50 | |
| GLUCURONIC ACID (M-H)- | 10470.00 | - | 2900.00 | 3765.20 | 33710.50 | 7964.00 | |
| GLUTAMIC ACID (M-H)- | 322642.00 | 132247.00 | 71644.67 | 115448.00 | 347801.00 | 101355.67 | |
| GLUTARIC ACID (M-H)- | 10386.00 | 34792.00 | 47738.40 | 54344.12 | 75292.00 | 87434.33 | |
| GLUTATHIONE (OXIDIZED) (M-H)- | - | 1653.00 | 10850.00 | 11503.60 | - | - | |
| GLYCINE (M-H)- | - | 7614.00 | 6522.80 | 10338.17 | - | 8019.00 | |
| GLYCOCHOLIC ACID (2M-H)- | - | - | 931832.00 | - | - | - | |
| GLYCOCHOLIC ACID (M-H)- | 89676.50 | 73003.00 | 1288548.67 | 40843.71 | 15502.50 | 33746.00 | |
| GLYCOLITHOCHOLIC ACID (M-H)- | - | - | 55392.00 | - | - | - | |
| HEPTADECANOIC ACID (M-H)- | 70313.00 | 125851.50 | 97996.83 | 82503.33 | 78907.00 | 84701.67 | |
| HEXACOSANOIC ACID (M-H)- | 7154.50 | 22532.50 | 14749.50 | 12275.33 | 14360.00 | 13098.00 | |
| HOMOVANILLIC ACID (2M-H)- | 14242.00 | 19923.50 | 21044.83 | 21003.89 | 24185.50 | 24701.00 | |
| HYODEOXYCHOLIC ACID (M-H)- | 565519.00 | 295494.00 | 349738.67 | 311556.89 | 564498.00 | 396650.67 | |
| IBUPROFEN CARBOXYLIC ACID (M-H)- | - | - | 3263.67 | 7248.00 | - | - | |
| INDOLE-3-ACETIC ACID (M-H)- | - | 8622.00 | 3325.00 | 3986.33 | 12557.00 | 30312.33 | |
| INOSINE 5^-DIPHOSPHATE (M-H)+[-H2O] | - | 1284.00 | 1284.50 | 1350.50 | - | 1420.00 | |
| INOSINE (M-H)- | 85571.00 | - | 327473.50 | 301712.44 | 218272.00 | 324392.00 | |
| KYNURENIC ACID (M-H)- | 37756.00 | - | 2096.00 | 11276.83 | 71905.50 | 68466.67 | |
| KYNURENINE (M-H)- | 3222.00 | 17729.00 | 6953.40 | 19225.33 | 14269.00 | 15733.67 | |
| L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | 36204.00 | 17570.50 | 12481.20 | 18207.11 | 30115.00 | 19186.00 | |
| L-ARGININE (M-H)- | 2143.50 | 15892.00 | 10772.40 | 13976.62 | 12589.50 | 10285.67 | |
| LAURIC ACID (M-H)- | 20107.00 | 39674.50 | 38717.67 | 58100.22 | 39976.50 | 41086.33 | |
| LEUKOTRIENE B4 (M-H)- | 4150.00 | - | 32301.50 | 13969.75 | 5934.00 | 5511.00 | |
| L-HISTIDINE (M-H)- | 38938.00 | 355831.50 | 313129.67 | 305593.44 | 291866.00 | 258889.33 | |
| LIGNOCERIC ACID (M-H)- | 31833.50 | 56532.50 | 51914.50 | 42943.11 | 45817.50 | 50023.00 | |
| LINOLEIC ACID (M-H)- | 627895.50 | 1127719.00 | 2253426.50 | 947790.33 | 1007004.50 | 1521173.67 | |
| L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | 309416.50 | 253770.50 | 124399.33 | 195351.67 | 295161.50 | 183642.00 | |
| LYSINE (M-H)- | 33477.00 | 158955.50 | 215719.50 | 167576.78 | 121352.50 | 141328.33 | |
| MANNITOL (M-H)- | 24890.00 | - | 4990.67 | 15847.00 | - | - | |
| M-HYDROXYMANDELIC ACID (M-H)- | 1276.00 | 3982.00 | 15506.50 | 19196.00 | - | 16553.50 | |
| MYRISTIC ACID (M-H)- | 125450.50 | 141097.50 | 200329.50 | 143953.67 | 163375.50 | 181619.67 | |
| MYRISTOLEIC ACID (M-H)- | 8138.00 | 13568.50 | 17301.83 | 9999.11 | 16834.00 | 19653.33 | |
| N-ACETYL-DL-METHIONINE (M-H)- | 190133.50 | 425510.50 | 270681.83 | 280629.00 | 325898.50 | 338701.33 | |
| N-ACETYL-D-TRYPTOPHAN (M-H)- | - | 5181.50 | 12565.17 | 5835.12 | - | 4094.33 | |
| N-ACETYL-L-CYSTEINE (M-H)- | - | - | - | 5370.00 | 1546.00 | 16655.33 | |
| N-ACETYL-L-LEUCINE (M-H)- | 43116.00 | 21161.50 | 40585.83 | 51049.56 | 47057.00 | 63662.33 | |
| N-ACETYL-L-PHENYLALANINE (M-H)- | 13347.00 | 27121.50 | 42388.33 | 32932.56 | 14466.50 | 20123.67 | |
| N-ACETYLNEURAMINIC ACID (M-H)- | 22263.00 | 101833.00 | 44684.50 | 107701.29 | 40566.50 | 31608.00 | |
| NERVONIC ACID (M-H)- | 894399.50 | 1881369.50 | 1254124.00 | 1036336.33 | 915684.00 | 1138795.67 | |
| NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M-H)- | - | 1273.00 | 3620.00 | 4692.00 | 2244.50 | 2283.00 | |
| N-OLEOYLGLYCINE (M-H)- | 1856.00 | 2340.00 | - | 2014.33 | - | 1110.00 | |
| OLEIC ACID (M-H)- | 1794530.00 | 5682952.50 | 6238636.33 | 3165436.44 | 2748336.00 | 3887185.33 | |
| OMEGA-HYDROXYDODECANOIC ACID (M-H)- | 2426.00 | 4196.00 | 8588.40 | 8404.43 | 3193.00 | 6570.00 | |
| ORNITHINE (M-H)- | 7165.00 | 31623.00 | 51078.67 | 51364.44 | 43557.00 | 51814.33 | |
| OXALIC ACID (M-H)- | - | 54811.00 | 87106.33 | 1059.00 | - | 1548.00 | |
| OXALOACETIC ACID (M-H)-[-H2O] | 511060.00 | 556098.00 | 509520.17 | 520228.89 | 649462.50 | 551431.67 | |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- | - | - | 28777.00 | 500551.00 | - | - | |
| PALMITIC ACID (M-H)- | 754542.50 | 1645162.00 | 1760447.33 | 931073.56 | 951572.00 | 1116409.00 | |
| PALMITOLEIC ACID (M-H)- | 231714.00 | 427269.00 | 417794.33 | 411793.56 | 586466.50 | 621434.33 | |
| PANTOTHENIC ACID (M+CL)- | 25366.00 | 26340.50 | 28522.50 | 41615.33 | 38276.50 | 34819.00 | |
| PANTOTHENIC ACID (M-H)- | 162321.50 | 198376.00 | 213216.40 | 293400.75 | 198208.50 | 205432.00 | |
| PHENYLALANINE (M-H)- | 1703414.00 | 5198324.00 | 2825750.20 | 4356289.44 | 4948815.50 | 3033213.00 | |
| PHENYLPYRUVIC ACID (M-H)- | 390145.00 | 77026.00 | 32970.00 | 30137.20 | 61884.00 | 68869.33 | |
| PHTHALIC ACID (M-H)- | 57422.00 | 25645.00 | 58189.00 | 42381.44 | 27104.00 | 38872.00 | |
| PHYTANIC ACID (M-H)- | 3859.00 | - | 29442.00 | 9270.60 | 5764.00 | - | |
| PIMELIC ACID (M-H)- | 7332.00 | - | 3529.00 | 2961.00 | - | - | |
| PROCOLLAGEN 5-HYDROXY-L-LYSINE (M-H)- | - | - | 1389.00 | 1277.00 | - | - | |
| PROSTAGLANDIN E2 (M+CL)- | - | - | 4636.00 | - | - | - | |
| PROSTAGLANDIN E2 (M+CL)-[-H2O] | 16030.00 | 96952.00 | 37523.67 | 101825.80 | 48270.00 | 117365.33 | |
| PROSTAGLANDIN E2 (M-H)- | 12562.00 | 16592.00 | 28343.60 | 18479.00 | 12433.00 | 24426.00 | |
| PROSTAGLANDIN E2 (M-H)-[-H2O] | - | - | - | 1478.00 | - | - | |
| RIBOSE 5-PHOSPHATE (M-H)- | - | - | - | - | 17510.00 | - | |
| SALICYLATE #2 (M-H)- | 40516.00 | 152832.50 | 51769.00 | 96129.75 | - | - | |
| SEBACIC ACID (M-H)- | 302784.00 | 8837.00 | 5863.67 | 4969.11 | 4770.00 | 4022.00 | |
| SERINE (M-H)- | 5790.00 | 9151.50 | 24806.40 | 20584.12 | 16228.50 | 13775.33 | |
| STACHYOSE (M+CL)- | 131710.00 | 170973.00 | 372807.67 | 236917.00 | 175649.50 | 154403.00 | |
| STEARIC ACID (M-H)- | 1210205.00 | 4166853.50 | 2900463.00 | 1722492.56 | 1584611.50 | 1717672.33 | |
| SUBERIC ACID (M-H)- | 12873.00 | 11329.00 | 9702.17 | 10210.38 | - | 9426.50 | |
| TAURINE (M-H)- | 37102.50 | 275629.50 | 246361.67 | 291990.22 | 302828.50 | 276201.00 | |
| THEOPHYLLINE (M-H)- | 76234.00 | 16786.00 | 25936.20 | 37148.00 | - | - | |
| THYMIDINE (M+CL)- | 64106.00 | - | 199335.75 | 577760.00 | 49726.00 | 73651.33 | |
| THYMIDINE (M-H)- | 6156.00 | - | 221313.50 | 323355.83 | 26025.50 | 79270.67 | |
| THYMINE (M-H)- | 47020.00 | 256729.00 | 433285.80 | 504573.44 | 520660.00 | 605544.00 | |
| THYROTROPIN RELEASING HORMONE (M+CL)- | 13492.00 | 50728.00 | 48516.60 | 19035.00 | 6930.00 | 3575.00 | |
| TRICOSANOIC ACID (M-H)- | 10397.50 | 18589.00 | 24658.50 | 21202.56 | 14939.50 | 20864.00 | |
| TRIDECANOIC ACID (M-H)- | 5770.00 | 8069.00 | 7155.67 | 6666.75 | 7189.00 | 5736.00 | |
| TRYPTOPHAN (2M-H)- | 133550.50 | 433308.50 | 211768.33 | 410707.50 | 270453.00 | 182198.33 | |
| TRYPTOPHAN (M-H)- | 1385322.50 | 2693041.50 | 1672615.50 | 2025293.44 | 1970032.50 | 1579554.33 | |
| URIDINE-5-MONOPHOSPHATE (M-H)- | 18755.00 | 35477.00 | 33938.00 | 49979.17 | 4040.00 | - | |
| XANTHOSINE 5^-PHOSPHATE (M-H)- | 311695.50 | - | 70484.50 | 38349.20 | 184111.00 | 148478.67 | |
| XANTHOSINE (M-H)- | 164406.00 | 302578.50 | 223842.50 | 416153.22 | 380909.50 | 427205.33 | |
| ZEATIN [ISTD] (M+CL)- | 131485.00 | 73550.00 | 17440.67 | 29496.44 | 51107.50 | 24873.67 | |
| ZEATIN [ISTD] (M-H)- | 111489.00 | 71900.50 | 27614.50 | 37166.89 | 48523.50 | 32803.33 |
Factors:
| F1 | M. abscessus:no | NTM pulmonary disease:no | pre-infection sample:no |
| F2 | M. abscessus:no | NTM pulmonary disease:no | pre-infection sample:yes |
| F3 | M. abscessus:no | NTM pulmonary disease:yes | pre-infection sample:no |
| F4 | M. abscessus:no | NTM pulmonary disease:yes | pre-infection sample:yes |
| F5 | M. abscessus:yes | NTM pulmonary disease:yes | pre-infection sample:no |
| F6 | M. abscessus:yes | NTM pulmonary disease:yes | pre-infection sample:yes |
