Data for ST001270   

(Analysis AN002110): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2F3F4F5F6F7
1,5-ANHYDRO-D-GLUCITOL
19660.33 19350.08 15555.87 1626.84 15909.56 14948.02 23300.16
1-PALMITOYL-sn-GLYCERO-3-PHOSPHOCHOLINE derivative
121686.97 130098.26 111845.18 129076.71 114281.55 90455.01 408334.19
1-STEAROYL-sn-GLYCERO-3-PHOSPHOCHOLINE derivative
4822.06 4582.52 4949.36 2796.08 3850.35 3889.50 14604.60
2,3-Dihydroxybutanoic acid-like
11102.53 14817.25 17286.93 11328.07 14464.84 13219.72 8330.44
2-AMINOBUTYRIC ACID
367480.90 404492.52 481167.18 499632.52 433816.03 333719.31 380078.42
2-OXOBUTYRIC ACID
101108.58 99557.59 103611.33 101326.40 118138.72 97970.23 76210.01
3,4-Dihydroxybutanoic acid-like
125181.87 185896.21 183807.04 77388.47 138236.81 99480.89 54203.94
3-HYDROXYBUTYRIC ACID
313934.70 617243.21 740862.47 1394155.12 698517.28 340859.79 347994.53
3-HYDROXYISOVALERIC ACID
25156.20 28473.80 44793.02 19324.67 43559.41 19787.99 14134.73
4-HYDROXYPHENYLACETIC ACID
2298.76 4273.36 4154.15 1636.16 2559.78 1218.57 1238.63
5,6-Dihydrouracil-like
128128.46 126474.12 119068.37 145018.95 138632.18 137664.33 140101.28
ACETAMINOPHEN
9159.27 8025.68 8223.76 9268.18 3228.88 9089.70 5936.10
ADENOSINE
2514.35 1362.67 1268.49 3725.63 1521.73 1300.86 2450.45
ADIPIC ACID
11110.00 11009.98 14220.84 8965.78 15302.92 9752.84 9349.82
ALANINE
43555.55 56077.41 34956.08 28047.32 42480.77 37066.31 58958.27
ALPHA-KETOGLUTARIC ACID
178192.52 420749.28 181916.06 110209.11 240814.34 150044.60 159088.45
ALPHA-TOCOPHEROL
7065.92 7764.87 6026.47 7432.91 6043.73 5598.18 10032.64
Aminomalonic acid-like
569431.71 598444.81 538109.30 719895.29 676832.64 649814.94 1161123.87
ASPARAGINE (3TMS)
6018.66 7439.85 4523.32 4694.95 6203.37 5185.78 5415.61
ASPARAGINE (4TMS)
62588.56 62138.18 59467.03 34185.54 68286.91 52147.42 54233.59
BETA-ALANINE (2TMS)
6636.24 7934.28 9727.26 5152.81 10252.83 5824.75 5600.22
BETA-ALANINE (3TMS)
19429.81 29443.82 21172.40 18619.93 23817.39 23649.14 17049.45
chiro-INOSITOL
6613.56 8048.76 5284.13 4332.50 18605.93 4817.94 4953.04
CHOLESTEROL
125006.16 127877.22 123200.52 117422.35 127533.33 117761.11 133290.37
CITRIC ACID
12907.55 27240.51 10819.09 10775.88 12493.59 9053.08 22326.07
CREATININE
1263038.40 644874.54 1247877.05 694224.18 1388789.48 611912.15 467105.41
CYSTATHIONINE
1021.22 570.89 1361.22 578.22 590.88 580.38 573.66
CYSTEINE
25485.31 24187.95 22852.46 14076.52 20249.65 23783.69 16849.43
Cysteine, S-methyl-, DL- (2TMS)
7417.52 8594.57 8344.15 8230.49 8942.51 7842.84 14459.17
CYSTINE
510704.08 646113.44 441202.58 672342.26 542693.36 455859.27 616634.06
DOCOSAHEXAENOIC ACID
36045.15 48789.75 30223.37 22343.23 35980.87 37092.63 50985.93
DODECANOIC ACID
3807.55 5308.65 3560.44 2874.02 3837.11 4309.73 4759.04
Drug-like
16676.21 9864.27 6443.20 650.03 3798.95 4387.12 3090.74
EDTA_minor_peak
29550.02 31354.20 28420.27 23666.34 28573.21 19775.19 43706.47
ERYTHRITOL
11404.58 20128.91 18678.56 9833.62 21100.60 11626.25 9579.86
Ethanolamine-like
7960.07 7630.75 6990.92 7245.51 7951.53 6462.57 8042.77
FRUCTOSE
403633.40 404144.72 596988.17 558917.69 331031.10 546945.70 985987.28
FUMARIC ACID
85877.54 111779.82 112319.51 95043.44 96077.78 127228.00 96525.09
GAMMA-TOCOPHEROL
4651.87 4567.16 5920.92 4625.79 4829.66 4643.04 4819.01
GLUCURONIC ACID
3861.28 6084.67 4588.31 1326.67 5649.32 2731.28 1397.52
GLUTAMIC ACID
1937.79 2659.81 1920.31 2768.39 2635.04 2290.61 2005.09
GLUTAMINE (3TMS)
12479.31 16329.64 10907.78 12566.14 11682.30 11913.90 17372.19
GLUTAMINE (4TMS)
3120.87 5918.81 4399.15 2756.24 2873.86 3749.97 3415.62
Glutamine [-H2O] (2TMS) BP
38332.79 43769.89 41234.87 44034.86 40639.46 44755.78 51832.59
GLUTARIC ACID
2318.02 3132.45 2371.74 2312.89 2363.52 2321.52 2294.64
GLYCERIC ACID
11000.81 17089.12 11863.93 11120.43 15359.15 10669.58 18242.33
GLYCINE
31645.96 37977.27 30707.04 25354.17 32775.96 25230.27 34654.91
GLYCOLIC ACID
12265.54 13025.30 15059.24 12966.59 12688.28 16734.18 10863.64
HEPTADECANOIC ACID
13000.23 15248.48 13138.45 12139.33 13506.30 12900.97 14167.86
HEXADECANOIC ACID
34658.42 46101.35 38031.52 38589.80 38007.10 33897.04 39692.83
HIPPURIC ACID (1TMS)
107312.77 121301.25 65112.90 19953.83 82662.86 73472.88 76022.78
HIPPURIC ACID (2TMS)
33194.86 25467.78 35611.96 6974.52 26938.07 24331.50 17581.91
HISTIDINE
285918.96 328065.12 241022.82 182276.22 249168.27 290307.44 313438.55
HydroxyButyric acid-nTMS
9938.48 9092.79 13344.17 9809.42 15187.40 10124.56 5813.79
Iminodiacetic acid (3TMS)
6483.41 6845.58 7268.91 5052.69 6946.14 7095.48 5629.90
Inositol-2-phosphate, myo- (7TMS)
3639.33 3820.10 4541.69 4146.81 3399.71 3862.57 5260.40
ISOLEUCINE
9658.58 8872.29 6864.23 12854.94 12141.05 9292.98 10974.54
ISOMALTOSE
121102.07 88287.11 164582.08 31596.50 83763.40 100499.88 17500.92
KYNURENINE
2830.61 2511.86 1980.57 1808.12 3473.28 1359.13 1327.63
LEUCINE
1493730.24 1472247.64 1241596.65 2119616.84 1785862.32 1432943.19 1517220.58
LIDOCAINE
1738.51 4764.58 8370.04 1734.67 9018.32 1741.14 1720.98
L-Threonic acid
331270.42 358225.74 433465.33 175087.17 368981.78 262887.20 120862.38
LYSINE (3TMS)
216527.59 173439.80 176226.89 84444.79 218928.29 77041.56 259228.15
LYSINE (4TMS)
45162.28 48037.10 36375.50 29145.63 43473.28 42548.84 47884.61
MALIC ACID
138836.72 332244.80 125015.29 95605.65 162353.24 105301.78 114739.06
MALTOSE 1
108349.39 12864.99 18092.68 9574.75 14074.91 28223.97 7702.28
MALTOSE 2
44003.79 3619.52 8379.48 2735.78 3360.40 10124.40 1706.04
MANNITOL
826367.81 710328.22 1046974.44 1527428.33 621864.34 813390.59 435239.89
myo-INOSITOL
110696.16 96167.41 86395.77 73230.65 57012.03 113497.86 44553.26
NA
6732.40 6591.32 4911.96 2033.76 5408.51 4361.14 962.62
NAPROXEN
30823.70 28544.74 29646.72 28911.18 29544.05 29019.01 28683.05
OCTADECADIENOIC ACID, 9,12-(Z,Z)
27791.24 30477.29 27345.16 18911.50 28672.89 19590.59 31809.57
OCTADECANOIC ACID
15668.81 17345.35 16031.00 14818.31 16185.46 16615.19 16473.72
OCTADECENOIC ACID, 9-(Z)
54361.71 73046.53 58990.51 58259.51 59827.90 48975.77 61388.29
ORNITHINE (3TMS)
6205.92 6255.53 5650.82 4312.04 6179.70 4097.13 8147.64
ORNITHINE (4TMS)
8762.94 9509.82 8447.97 6017.41 9647.00 6514.38 8448.11
PALMITOLEIC ACID
235489.21 595639.72 319991.17 199692.73 262882.11 264843.42 303990.61
PHENYLALANINE
6427.56 6795.71 6185.21 5715.30 7444.05 5754.09 4363.74
PIPECOLIC ACID
53147.08 54746.88 110629.16 28721.49 50549.07 54157.93 30636.13
PROLINE
123521.77 106813.72 110822.39 87980.81 103954.14 137009.60 109868.21
Pseudo uridine-like
3608.67 3745.86 4977.03 1765.71 3868.27 3499.22 2215.19
PYRUVIC ACID
344433.62 330112.58 298860.63 133933.15 311560.63 295079.07 258096.44
RIBITOL
47311.06 66187.67 65150.84 42565.74 75245.97 53826.12 34416.47
RIBOSE
6487.90 4059.58 7290.10 2088.67 5258.17 3595.46 1461.82
scyllo-INOSITOL
63066.32 105626.50 19206.07 8262.50 17323.30 109953.66 14520.81
SERINE
5204.91 5453.16 4239.75 7420.49 5620.32 4433.95 6805.29
SUCROSE
1880.61 2782.46 1455.96 1093.26 3994.53 3634.65 1958.82
TARTARIC ACID
4296.14 5745.85 3341.68 1882.78 3819.80 3248.33 1989.90
TAURINE
4118.48 4356.14 581.54 1717.61 858.38 1863.98 883.48
THREONINE
16173.33 16181.66 13274.73 12923.63 13892.76 13979.54 18569.99
TRYPTOPHAN
479556.60 825443.85 477769.92 891980.84 578552.74 567137.72 1117013.17
TYROSINE
4173.61 5934.96 3859.98 2984.82 5125.56 4015.33 4305.98
UREA
102408.87 101839.15 136060.48 59011.95 111960.12 102225.43 57340.71
URIC ACID
190472.19 293291.70 277866.65 354897.43 312065.11 234580.31 275357.01
VALINE
25296.73 26252.88 24012.35 38463.04 33412.85 21686.23 30209.36
XYLOSE
2720.68 3096.01 3199.93 2893.45 3671.30 3224.61 3701.89
XYLULOSE
4078.22 6199.42 6600.24 5869.20 7187.84 6318.56 2791.57

Factors:

F1Category:NSTI | Bacterial sp:Gr. A strep
F2Category:NSTI | Bacterial sp:Gr. G strep
F3Category:NSTI | Bacterial sp:Polymicrob.
F4Category:NSTI | Bacterial sp:S. anginous
F5Category:NSTI | Bacterial sp:S. aureus
F6Category:NSTI | Bacterial sp:Stap+Strep
F7Category:Surgery | Bacterial sp:None
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