Data for ST002003   

(Analysis AN003266): Average values per metabolite and experimental factor (Units:normalized peak height)

Metabolite structureAll dataF1F2
1,2-Dimethylimidazole
1625.15 1537.69
1-Acetyl-3-piperidinamine
1779.41 1649.45
1-Acetyl-4-piperidinamine
2230.58 1511.32
1-Methyladenosine A
4430.76 4244.04
1-Methyl-L-histidine
25452.19 23737.13
1-Methylnicotinamide
14574.84 13733.29
1-Monostearin
1958.18 2514.52
1-Oleoyl-2-acetyl-sn-glycerol
8469.39 13014.56
1-Oleoyl-sn-glycero-3-phosphoethanolamine
5787.75 5992.63
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine
5845.87 5917.51
1-Phenylpyrrolidine
146.98 106.07
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1^-myo-inosi...
1225.92 1201.57
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine
1558.48 1491.00
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine
5703.72 5279.86
2,2^,2^^-Nitrilotriethanol
4315.74 5772.96
2,2-Bishydroxymethyl]-2,2^,2^^-nitrilotriethanol
646.66 604.43
2,6-Diaminopimelic acid
762.00 518.38
2-Amino-1-phenylethanol
48450.16 48661.85
2-Hydroxyibuprofen
3750.90 2498.02
2-Indolinone
21575.05 23190.25
2-Methylbutyryl-L-carnitine
15503.12 19094.82
(2R)-3-Hydroxyisovaleroylcarnitine
1842.62 1736.67
3-(1-Pyrazolyl)-alanine
427.82 315.03
3,4-Dimethoxybenzaldehyde
1935.65 2299.89
3,5-Dihydroxyphenylglycine
1682.22 1187.47
3-Amino-1-propanol
14622.88 10752.69
3-Aminoquinoline
2781.41 2925.33
(3-Carboxypropyl)trimethylammonium cation
15872.24 16413.15
3-Cysteinylacetaminophen
144.39 27.20
3-Dehydrocarnitine
2637.87 2697.84
3-Hydroxybutyrylcarnitine
3079.88 2915.30
3-Hydroxyoleylcarnitine
1294.47 1074.82
3-Hydroxypyridine
2077.03 3052.77
3-Methylglutarylcarnitine
567.84 1064.15
3-Methylxanthine
564.86 483.21
3-Pyridinemthanol
1616.53 1712.19
4,5,7-Trihydroxyisoflavone
420.88 163.96
4-Acetamidobutyric acid
3747.51 3676.24
4-Aminomethylcyclohexanecarboxylic acid;
1552.28 1260.63
4-Fluoro-.alpha.-pyrrolidinobutiophenone
504.94 418.88
4^-Methyl-N-methylhexanophenone
2537.26 2707.59
4-Pyridoxic acid;
9993.99 4501.42
5^-S-Methyl-5^-thioadenosine
2186.58 2337.42
5^-S-Methylthioadenosine
2111.82 2196.71
6-Hydroxyflavone
1300.57 373.51
6-Methoxynaphthaleneacetic acid
7364.07 8402.38
7.alpha.-Hydroxy-3-oxo-4-cholestenoic acid
7458.82 7295.20
7-Hydroxywarfarin
226.58 119.24
7-Methylguanosine
2858.26 2964.97
Acetazolamide
275.56 9.62
Acetominophen
11948.39 1727.00
Acetyl-DL-carnitine
4071.09 3784.53
Acyclovir
10124.91 91.80
Adenosine
438.53 480.05
Ala-Ile
1068.42 981.77
Albendazole
1589.21 311.29
Albendazole sulfoxide
650.62 663.66
alpha-Methylhistidine;
21485.13 20215.16
Alprazolam
204.15 75.20
Aminodiphenylmethane
11301.23 4424.96
Androstan-3-ol-17-one 3-glucuronide
999.09 928.54
Arginine
68367.04 61974.56
Atenolol
3499.14 202.63
Atorvastatin
313.79 283.59
Avobenzone
1469.86 1762.86
Benthiavalicarb-isopropyl
388.72 323.15
Benzophenone-3
74.21 151.11
Betaine
1372405.26 1405596.38
Betaine aldehyde cation
17333.97 50.47
.beta.-Phenyl-.gamma.-aminobutyric acid
827.01 668.82
Betonicine
5794.42 8259.49
Biliverden
36070.85 36598.46
Borrelidin
2055.51 1909.80
Bradykinin
2572.21 1966.10
Caffeine
48672.80 81258.11
Carbamazepine
434.02 11980.44
Carnitine
971564.10 986260.68
Choline cation
249560.14 265569.05
cis-10,11-Dihydroxy-10,11-dihydrocarbamazepine
510.66 913.05
Citrulline
20181.17 20670.42
Codeine-6-.beta.-D-glucuronide
1035.83 209.00
Coniferylaldehyde
718.72 751.02
Cotinine N-.beta.-D-glucuronide
82.80 43.24
Creatine
217929.62 192865.75
Creatinine
970079.35 957643.90
Cyclo(Leu-Pro)
2182.36 1819.90
D-.alpha.-Cyclohexylglycine
6187.21 8168.04
Decanoyl-L-carnitine
40422.73 39678.98
D-erythro-Sphingosine-1-phosphate
7251.87 6913.89
Dexpanthenol
1439.18 2121.26
D-Fructose
35066.45 32818.07
Diazepam
278.64 41.29
Dinor-12-oxophytodienoic acid
539.74 368.82
Diphenhydramine
2919.39 3861.90
DL-Indole-3-lactic acid
34783.47 33137.43
D-Pyroglutamic acid
120812.02 115872.10
D-Turanose
577.01 624.45
.epsilon.-Caprolactam
80506.50 82711.89
Ergothioneine
709.63 678.32
Esomeprazole
3254.75 1175.33
Ethiolat
10889.76 9328.77
Ethyldiethanolamine
724.62 698.16
Ethylenediaminetetraacetic acid
779772.97 541026.20
Ezetimibe
202.38 233.71
Fexofenadine
422.73 716.35
Gabapentin
58542.14 6099.04
Glaucine
738.41 518.59
Glutamic acid
8251.28 6689.98
Glutamine
100523.11 96669.63
Glycocholic acid
4757.12 3653.49
Glycodeoxycholic acid
16439.39 14364.49
Gly-Pro-Arg
777.29 408.45
Guanidine
5525.25 4132.70
Guanine
6198.10 233.62
Heptadecasphing-4-enine
4891.60 4905.20
Hexanoyl-L-carnitine
8578.19 7968.03
H-gamma-glutamyl-glutamine
2475.43 1979.66
Histidine
52349.60 51646.55
Homoarginine;
3414.62 2840.88
H-Pro-Hyp-OH
2309.52 1738.41
Hydroxybupropion
814.33 1572.75
Hypoxanthine
29328.73 28224.34
Ile-Glu-Arg
459.32 315.66
Indole-3-propionic acid
1197.46 1332.53
Irbesartan
68499.00 1509.00
Isoleucine
15520.95 14610.76
Isopentenyladenine
1040905.60 1030007.96
Isopropylamine
4600.94 4914.96
Kynurenine
2096.65 2177.92
Lamotrigine;
2003.27 15.89
Lansoprazole
709.25 2115.73
Lauric acid diethanolamide
396.15 303.40
Lauroyl-L-carnitine
5457.94 6293.35
L-Carnitine
15947.89 15075.43
L-Citrulline
20315.10 20834.47
L-Cysteine-glutathione disulfide
1146.82 1185.05
L-Cystine
2227.54 2163.54
Levocetirizine;
8580.01 4863.43
Linoleoylcarnitine
5899.55 6453.51
L-Leucine, methyl ester
922.06 694.14
Losartan
1367.76 1760.85
L-Threonine
6325.32 6136.58
L-Tyrosine
3264.58 3231.12
Lysine
25552.62 22469.60
Matrine
2867.65 440.32
Mefenorex
562.90 3185.38
Meloxicam
28879.62 19590.33
Meprobamate
1584.29 851.62
Metformin
11807.50 2730.58
Methacholine cation
57279.70 67351.03
Methionine
6146.40 5942.44
Methioninesulfoxide
807.56 672.42
Methylgallate
173.28 62.09
Metoprolol
764.61 205.66
Metoprolol acid
7669.67 461.90
Milnacipran
230.16 131.38
Modafinil
1521.73 65.19
Modafinil acid
173.58 23.16
Montelukast-1,2-diol
76.58 80.36
Moxonidine
3820.59 2951.62
N-(3-(Aminomethyl)benzyl)acetamidine
19345.25 16103.70
N8-Acetylspermidine
3104.73 2791.27
N-Acetylalanine
718.60 553.43
N-Acetyl-D-norleucine
3895.60 3582.71
N-Acetylhistidine
1169.54 981.79
N-Acetyl-L-carnosine
3136.42 2894.69
N-.alpha.-Acetyl-L-arginine
3105.57 3042.88
N.alpha.-Methyl-L-lysine
34449.44 13535.99
Naproxen
3362.75 3675.27
N.epsilon.-Acetyl-L-lysine
2529.58 2208.87
N.epsilon.-Methyl-L-lysine
9135.36 8848.21
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
13924.86 15585.82
N-Methylhistidine
37568.55 34727.52
N-Methylproline
12156.08 12895.71
Norleucine
15114.14 14678.57
Nudifloramide
66462.01 62505.24
Octanoylcarnitine
44044.51 44623.85
Oleoyl-L-carnitine
10507.19 10740.68
Omeprazole sulfone
6231.34 1655.49
Omeprazole sulfone N-oxide
1459.82 384.69
Ondansetron
338.39 218.33
Ornithine
4306.13 3976.86
p-Acetamidophenyl .beta.-D-glucuronide
1095.49 158.84
Palmitamide
2825.25 1706.51
Pantoprazole
663.31 13933.21
Pantothenic acid
11067.00 8222.37
Penciclovir
591.15 252.52
Phenylacetylglutamine
31752.10 33337.89
Phenylacetyl-L-glutamine
14813.72 15747.99
Phenylalanine
54114.08 54371.10
Pipecolic acid
392.69 397.60
Piperine
5087.51 6794.79
Prazepam
238.34 126.05
Proline
13893.37 13547.79
Propionylcarnitine
69672.74 69134.53
Pyrantel
346.34 1052.05
Pyridoxal
1695.12 964.08
Pyridoxine;
1008.08 431.34
Quetiapine
357.62 201.23
Quetiapine sulfoxide
647.64 124.09
rac-4-Sulfoxypropranolol
190.41 136.09
Ranitidine
2448.27 185.96
Ranitidine N-oxide
769.28 56.84
Ranitidine-S-oxide
222.66 128.93
(R)-Butyrylcarnitine
34105.03 35797.16
R-(-)-O-Desmethylvenlafaxine
716.16 365.38
Scopoletin
717.73 178.26
SDMA
9710.90 9965.08
Serotonin
16393.65 13448.67
Ser-Tyr-Lys
190.40 80.52
Stachydrine
634821.71 713293.35
Sulfamethoxazole
39.95 7024.85
Tapentadol-.beta.-D-glucuronide
353.35 111.29
Tauroursodeoxycholic acid
3086.62 1700.64
Telmisartan
3787.43 4108.16
Temazepam
234.09 138.01
Testosterone
3406.88 4240.30
Theanine;
2165.11 1306.08
Theobromine
46742.05 45813.22
threo-Dihydrobupropion
1001.82 792.88
Thr-Ile-Arg
375.34 169.12
Ticlopidine
217.51 54.22
Topiramate
865.46 344.15
Toradol
299.37 147.88
trans-3^-Hydroxycotinine
2116.86 1557.69
Trazodone
4382.76 187.77
Tri-2-ethylhexyl trimellitate
6775.18 1855.33
Trigonelline
64484.47 90921.76
Trileptal
369.67 1718.63
Trimethoprim
222.90 3686.54
Trimethylamine-N-oxide
22454.91 14839.05
Triptolide
558.58 704.31
Tryptophan
14890.58 14277.18
Tyrosine
6631.57 6557.80
Urea
121060.77 126384.46
Urocanic acid;
18715.24 18375.92
Usnic acid
7215.21 5575.46

Factors:

F1treatment:case
F2treatment:control
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