Data for ST000711   

(Analysis AN001111): Average values per metabolite and experimental factor (Units:Peak area normalized)

Metabolite structureAll dataF1F2F3F4F5F6
16:0-18:0 PC (M+H)+
492711.50 611485.00 680256.83 797239.00 797352.00 596699.33
16:0-18:0 PC (M+NA)+
83293.50 40852.50 111528.75 93375.60 80598.50 57118.67
16:0 LYSO PC (M+H)+
85967.50 522211.50 1136885.00 1052811.78 446602.50 275123.67
16:0 LYSO PC (M+NA)+
43402.50 256536.50 442027.83 417826.00 144346.00 129794.67
18:0 LYSO-PE (2M+NA)+
- 28330.00 39622.20 41754.00 35884.50 47283.33
18:0 LYSO-PE (M+H)+
173796.00 377255.50 388660.83 461353.22 467646.00 419211.33
18:0 LYSO-PE (M+NA)+
85559.00 163474.50 191385.83 199935.00 185431.50 131692.67
1-METHYLXANTHINE (M+H)+
5566785.00 7622566.50 8934397.33 8057437.75 7888876.00 8050025.00
20:0 LYSO PC (M+NA)+
- 14780.50 25300.50 15701.86 10639.00 21773.50
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]
33818.50 40638.00 38295.50 39125.00 30114.50 37805.50
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+
3250.50 19487.00 6362.50 8245.00 4084.00 4570.67
3-METHYLXANTHINE (M+H)+
50600000.00 66900000.00 78650000.00 75400000.00 70050000.00 71366666.67
5-HYDROXYTRYPTOPHAN (M+H)+
66916.50 349596.00 308210.83 363979.62 234237.00 261929.33
5^-METHYLTHIOADENOSINE (M+H)+
184642.50 135721.00 212410.50 181912.33 139515.50 143470.33
5-OXOPROLINE (M+H)+
519268.00 - 553537.33 417762.43 858090.00 726147.67
6-HYDROXYNICOTINIC ACID (M+H)+
119500.00 - 17176.00 74947.00 14122.00 8501.50
ACETAMINOPHEN (TN TYLENOL) (M+H)+
566955.00 - 1762718.25 588596.67 - -
ACETYLCARNITINE (M+H)+
1431265.00 1913660.50 1737443.83 1902965.44 1874292.50 2632353.00
ADENOSINE 5^-MONOPHOSPHATE (M+H)+
94142.00 136161.00 88758.80 250822.71 42298.00 -
ALPHA-TOCOPHEROL (M+H)+
6958.00 40024.50 31786.50 45429.00 29348.00 29174.33
AZELAIC ACID (M+H)+[-H2O]
13953.00 26619.50 8211.60 8596.62 5354.00 5814.33
AZELAIC ACID (M+NA)+
52309.00 62027.00 26389.00 26510.29 22058.00 8025.67
BILIVERDIN (M+H)+
4790.00 8922.50 16697.60 14438.00 16347.50 17915.00
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
6960.50 - 7615.00 6645.00 - -
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
84228.50 85264.50 86635.00 90382.56 88546.50 76662.67
CADAVERINE (M+H)+
7190.00 19399.00 136188.50 19183.33 17165.50 39846.00
CAFFEINE (M+H)+
1929205.00 8149673.00 1661378.83 1700888.11 59616.00 21862.50
CARNITINE (M+H)+
162245.00 5624.00 13458.80 103625.71 44915.00 17763.00
CARNOSINE (M+H)+
5850.00 7037.00 4879.20 3908.43 9279.50 4761.00
CHOLESTEROL (M+H)+[-H2O]
438542.00 491050.50 518864.83 584056.67 747514.50 648019.00
CHOLINE M+
254594.00 260129.50 658349.17 480195.56 34519.50 70033.00
CITRIC ACID (M+NA)+
87667.00 128461.00 98605.83 30616.86 34436.00 74105.33
CITRULLINE (M+NA)+
35906.00 45780.00 49638.50 67898.78 19959.50 24477.00
CYTIDINE 5^-DIPHOSPHOCHOLINE (M+H)+
1603.00 5132.00 6248.40 4808.50 2287.50 2495.50
DECANOIC ACID (2M+NA)+
2738.50 26616.00 18949.33 14275.50 14208.00 19982.33
DEOXYCHOLIC ACID (M+NA)+
- 62945.00 28222.67 16863.29 9468.00 -
DESMOSTEROL (M+H)+[-H2O]
- 6007.00 8306.67 6442.50 7006.00 5068.67
DETHIOBIOTIN (2M+H)+
292639.00 237298.00 535064.83 550714.22 579469.00 742762.67
DETHIOBIOTIN (M+H)+
33601.50 47589.00 66944.50 100115.62 80462.50 69322.33
D-GALACTOSAMINE (M+H)+
7812.00 1727.00 3743.00 - - -
DGDP (M+H)+
- - 304122.00 135826.00 31368.50 47983.33
EICOSADIENOYLCARNITINE (*) (M+H)+
5241.50 7413.50 16773.33 9177.56 7628.50 7717.33
ELAIDIC ACID (M+H)+
8380.00 - 16611.00 11908.00 11681.00 13823.33
ETHANOLAMINE PHOSPHATE (M+H)+
- 31271.00 23306.67 40831.25 47786.00 24082.50
FLUCYTOSINE (M+H)+
7478.00 12221.50 26195.75 12333.67 12427.00 7363.00
GAMMA-LINOLENIC ACID (M+NA)+
17954.00 12810.50 13599.00 11047.89 16411.50 13355.67
GLUCOSE (M+NA)+
1826119.00 2319587.00 462241.80 98077.67 6880.00 42381.67
GLUTARYLCARNITINE (*) (M+H)+
2877463.00 2853127.50 6660497.33 1650311.71 417234.00 543812.00
GLYCEROL MYRISTATE (M+NA)+
9866.50 16334.50 57938.60 11728.78 38063.00 86276.67
GLYCOCHENODEOXYCHOLIC ACID (M+H)+
- - 374186.00 10297.00 - -
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+
- - 506915.00 5522.00 - -
GLYCOCHOLIC ACID (M+H)+
45025.00 35183.00 565389.50 17238.22 8673.00 16127.67
GLYCOCHOLIC ACID (M+H)+[-H2O]
41614.00 17738.00 409067.75 11936.00 5001.00 5835.33
GLYCOCHOLIC ACID (M+NA)+
56712.00 28857.00 747543.00 18051.50 - -
HEXANOYLCARNITINE (*) M+
80845.00 133265.00 106725.80 137323.56 59022.50 100864.67
HOMOSERINE (M+NA)+
- 12273.00 12474.20 17033.43 4953.50 9747.67
HYPOXANTHINE (M+H)+
7547209.00 3533632.50 13916484.00 13703391.00 12200000.00 11733333.33
HYPOXANTHINE (M+NA)+
1124541.00 76105.00 440833.75 494640.40 739209.50 635194.33
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O]
- - 10203.50 107822.50 - -
IBUPROFEN CARBOXYLIC ACID (M+NA)+
- - 13855.50 153415.00 - -
INDOLE-3-ACETIC ACID (M+H)+
- 24388.00 9942.25 15579.00 43794.00 155961.33
INOSINE 5^-PHOSPHATE (M+H)+
- - 18422.00 38845.40 23485.50 23343.33
ISOLEUCINE (M+H)+
85350000.00 85200000.00 110700000.00 106111111.11 109500000.00 112000000.00
ISOLEUCINE (M+NA)+
319560.00 152533.50 197281.67 241940.00 291555.50 277548.67
ISOVALERYLCARNITINE (*) (M+H)+
341452.00 371999.00 701846.67 637789.89 429488.50 675818.67
KYNURENIC ACID (M+H)+
148318.00 11246.00 10303.25 33758.14 221600.50 194292.00
KYNURENINE (M+H)+
217255.00 461206.00 359912.00 690222.78 415557.50 436352.00
L-ARGININE (M+H)+
151759.50 221286.00 113451.50 131688.25 25762.00 19789.00
L-ARGININE (M+NA)+
18992.00 54311.00 41458.00 48770.38 46032.50 50413.00
LEUKOTRIENE B4 (M+NA)+
- 13700.00 14358.00 5940.33 1612.00 2533.00
LEVORPHANOL (M+H)+
30365.00 33842.00 79991.40 51583.25 298310.50 140713.33
L-HISTIDINE (M+H)+
29231.00 81066.50 55463.50 41137.11 30168.50 29311.33
L-HISTIDINE (M+NA)+
13115.00 39982.00 40444.67 31140.78 19908.00 19947.67
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
3745882.50 3099477.00 2219388.50 2559325.00 3662672.50 2671220.67
LUMICHROME (M+H)+
- 1364.00 5556.67 2762.50 1403.50 1322.00
LYSINE (M+H)+
236779.50 825063.00 882429.83 745773.44 696203.00 633786.67
LYSINE (M+NA)+
61150.50 173611.50 225871.50 210931.78 164143.50 165243.00
MALIC ACID (M+NA)+
32502.00 10833.00 - 35612.00 - -
MANNITOL (M+NA)+
534460.00 58074.00 19968.33 24663.67 - 22087.00
METHIONINE (M+H)+
7714612.00 8394731.50 9779517.00 10580873.62 14650000.00 13539729.67
N-ACETYL-DL-METHIONINE (M+H)+
67195.50 152627.00 113875.83 115035.22 119377.50 124622.00
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]
17662.00 42179.50 28655.67 32215.22 36839.50 35379.00
N-ACETYL-DL-SERINE (M+H)+[-H2O]
- 725297.50 784511.17 622938.00 814766.50 659466.00
N-ACETYL-D-MANNOSAMINE (M+H)+
43735.00 139818.00 63609.60 50313.25 54040.50 76204.67
N-ACETYL-L-LEUCINE (M+H)+
26878.00 14106.00 26688.00 45171.17 29032.00 39219.33
N-ACETYL-L-PHENYLALANINE (M+H)+
2667.00 12906.00 23921.50 22636.38 6812.00 10504.00
N-ACETYLNEURAMINIC ACID (M+H)+
13463.00 30012.00 221662.67 57910.25 2691.00 22313.50
NAD (M+H)+
9803.00 33126.50 67302.33 61653.86 34816.00 43830.67
NICOTINIC ACID (M+H)+
651251.00 670758.00 734249.50 576024.75 505268.00 776379.00
OCTANOYLCARNITINE (*) (M+H)+
23225.00 45775.50 52780.67 83595.78 30480.50 49827.33
OLEAMIDE (M+H)+
185873.00 1580916.50 311083.00 248260.00 161363.00 162135.67
OLEIC ACID (M+H)+
17791.50 6522.50 5146.80 5196.44 8398.50 8160.67
OLEOYL-GLYCEROL (M+H)+
35170.00 32898.50 41753.80 13164.50 103017.50 122160.00
OLEOYL-GLYCEROL (M+NA)+
201114.00 912020.00 998889.00 302399.22 2540495.00 3953225.00
ORNITHINE (M+H)+
48066.50 154682.00 195012.83 199341.22 180377.50 195529.00
PANTOTHENIC ACID (M+H)+
123305.50 148092.00 193064.67 227379.00 172104.50 195270.00
PROLINE (M+H)+
2285466.00 58510.50 1684347.67 1123381.50 34061.50 51753.33
PROLINE (M+NA)+
170470.00 8100.00 6294.17 7018.00 3723.00 5447.67
PROSTAGLANDIN E2 (M+H)+
- - 73873.33 17753.00 - 9029.00
PROSTAGLANDIN E2 (M+H)+[-H2O]
4195.00 8371.00 16007.00 8736.33 2181.00 5663.00
PROSTAGLANDIN E2 (M+NA)+
7953.00 5057.50 11857.40 7863.40 1878.00 10021.33
PURINE (M+H)+
- 562027.00 78267.00 49778.00 - -
PYRIDOXINE (M+H)+
56523.00 - - 23591.00 - -
RAFFINOSE (M+NA)+
104535.50 228788.00 75980.00 2651.50 - 1441.00
SEBACIC ACID (M+H)+[-H2O]
233664.00 6622.00 2676.67 3852.00 1168.00 3101.00
SEBACIC ACID (M+NA)+
263840.00 6144.50 2797.50 4424.40 2923.50 3201.00
SPERMIDINE (M+H)+
35235.00 18477.50 131262.80 225146.00 175678.50 364366.00
STACHYOSE (M+K)+
64225.00 56740.50 71342.50 124518.57 86513.00 74118.67
STACHYOSE (M+NA)+
102973.50 132216.00 255639.17 183158.38 112706.00 147655.67
SUCROSE (M+NA)+
3250.00 241775.00 525952.40 - - 1664.00
TAUROCHENODEOXYCHOLIC ACID (M+H)+
- - 8668.33 5398.67 - -
TAUROCHOLIC ACID (M+H)+[-H2O]
19312.00 - 94853.33 5437.00 - -
THEOBROMINE (M+H)+
312947.00 357653.50 340954.00 660163.50 382154.50 296440.33
THYMIDINE (M+H)+
- 142931.00 213034.50 513508.00 - -
THYMINE (M+H)+
66860.00 259175.00 1160366.40 1033216.50 752152.50 1019952.33
TRYPTOPHAN (M+H)+
14700000.00 22927477.50 25783333.33 23941966.44 19750000.00 21466666.67
TRYPTOPHAN (M+NA)+
104652.00 78442.00 79168.40 76587.89 88436.00 76570.33
TYROSINE (M+H)+
21402490.50 5544404.00 8379428.00 6075315.12 9569022.00 12572486.67
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+
- 6379.00 4417.33 5757.50 3645.00 4318.00
UROCANIC ACID (M+H)+
- 73578.00 79530.00 98565.67 71754.50 51502.00
VALINE (M+H)+
9979890.50 5144651.00 11807420.50 17213787.50 22300000.00 17266666.67
XANTHINE (M+H)+
1941624.50 - 3024316.17 2129243.56 2615533.50 2952215.67
XANTHOSINE (M+H)+
152080.00 171752.50 177608.67 230123.00 107472.00 225503.33
ZEATIN [ISTD] (M+H)+
971135.50 815263.00 577928.83 635734.67 813734.00 669038.00

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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