Data for ST000711   

(Analysis AN001110): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2F3F4F5F6
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:

F1M. abscessus:no | NTM pulmonary disease:no | pre-infection sample:no
F2M. abscessus:no | NTM pulmonary disease:no | pre-infection sample:yes
F3M. abscessus:no | NTM pulmonary disease:yes | pre-infection sample:no
F4M. abscessus:no | NTM pulmonary disease:yes | pre-infection sample:yes
F5M. abscessus:yes | NTM pulmonary disease:yes | pre-infection sample:no
F6M. abscessus:yes | NTM pulmonary disease:yes | pre-infection sample:yes
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