Data for ST001823   

(Analysis AN002959): Average values per metabolite and experimental factor (Units:peak intensity)

Metabolite structureAll dataF1F2F3
1,2,3,4-Tetramethyl-1,3-cyclopentadiene
62964.53 39177.89 53426.81
1,3-Divinyl-2-imidazolidinone
12878.04 4932.44 4555.05
1,5-Isoquinolinediol
661772.37 1352061.33 1618057.17
(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10...
57608.73 142807.58 35873.32
2,3,4,9-Tetrahydro-1H-?-carboline-3-carboxylic acid
243695.05 1229660.57 130944.79
2,3,5,6-Tetramethylpyrazine
90772.68 4363.40 5748.43
2,4-Dimethylbenzaldehyde
313618.61 264758.49 352511.51
2-Acetamidophenol
112885.68 35245.98 32874.75
2-Anisic acid
27290.16 32620.93 30843.32
2^-Deoxyadenosine
161551.35 270965.96 434072.12
2^-Deoxyinosine
469886.54 781166.24 918701.96
2-Hydroxyquinoline
169761.17 874173.41 825970.05
2-Oxindole
1014103.90 1449432.19 1659365.37
3-(2-Hydroxyethyl)indole
38889.13 19953.71 36200.02
(3aR,4aS,5R,7aS,8S,9aR)-5-Hydroxy-4a,8-dimethyl-3-methyleneo...
33339.32 5600.86 4539.83
(3aR,8R,8aR,9aR)-8-Hydroxy-8a-methyl-3,5-bis(methylene)decah...
9020.42 85833.24 9520.66
4-Acetamidobenzoic acid
6403.08 22174.54 22901.03
4-Amino-3-hydroxybenzoic acid
133215.29 178753.78 92338.73
4-Amino-6-chloro-1,3-benzenedisulfonamide
6572.10 29179.42 4906.20
4-Aminobenzoic acid
261985.80 128942.66 76181.63
4-Coumaric acid
168295.32 471769.86 524200.99
(4E)-8-Hydroxy-4-(1-hydroxy-2-propanylidene)-10-oxatricyclo[...
11184.10 133788.49 11338.13
4-Ethoxy ethylbenzoate
2073756.87 2113296.15 2252645.05
4-Ethylbenzaldehyde
9012.12 11502.91 52430.56
4-Indolecarbaldehyde
145370.31 132770.62 71100.68
4-Methoxycinnamic acid
5539.31 39377.25 52305.56
5-Hydroxyindole-3-acetic acid
61358.33 37607.76 17718.99
5-Methoxyindole
11537.40 179827.96 66337.09
5^-S-Methyl-5^-thioadenosine
16289.20 12176.42 27273.73
6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octa...
6557.04 8761.88 9283.54
6-Hydroxymelatonin
126466.01 55991.26 32544.22
6-Hydroxynicotinic acid
8563.38 5427.94 5615.78
6-Methylindole
12346.91 15096.76 7788.30
6-Methylquinoline
33522.64 178359.20 20084.22
8-{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}octanoic ...
2254532.66 3552431.94 1677960.78
8-Hydroxyquinoline
105982.83 129258.72 77166.34
9-Oxo-10(E),12(E)-octadecadienoic acid
838579.72 1159091.66 581595.72
Abietic acid
782325.19 961154.90 107365.81
Acetophenone
52751.30 113340.53 12527.61
a-Linolenic acid
135185.45 123078.02 180690.31
Alizarin
3689.85 4007.33 14996.85
Biotin
110225.75 175761.90 217076.60
Bis(2-butoxyethyl) ether
267834.00 281700.47 300773.58
Bis(2-ethylhexyl) amine
3109.78 4050.15 3675.17
Bis(4-ethylbenzylidene)sorbitol
1185592.27 1139692.70 1300528.83
Bis(methylbenzylidene)sorbitol
1113938.43 1229050.67 1689736.69
Butyl 4-aminobenzoate
16694.37 15931.65 38181.07
Cinnamoylglycine
17062.71 9289.70 13174.18
Citral
223026.25 349019.61 339641.21
Coumestrol
175694.11 85090.56 96554.81
Daidzein
167345.98 29745.80 22376.91
Decarbamoyloxysaxitoxin
2563861.14 1910833.33 2362602.16
Desthiobiotin
8542.69 16778.21 25584.24
Diethyleneglycol diacetate
5371.42 3474.46 6102.04
Diisobutylphthalate
6909776.17 7706197.38 8336454.99
Dimethyl sebacate
1424535.24 2376651.24 2789222.49
Docosahexaenoic acid ethyl ester
604792.97 240329.33 42367.00
Dodecyltrimethylammonium
215700.50 201052.95 224198.47
D-(+)-Tryptophan
10594587.12 3424841.63 2764091.97
Ethyl palmitoleate
9065103.70 2643767.66 1475630.74
Ethyl paraben
320794.13 326537.39 334566.41
Ferulic acid
424776.88 715918.95 1179529.18
Flavanone
4404.88 3361.72 84376.10
Glycyl-L-leucine
389747.78 325879.62 115168.51
Ibuprofen
119985.51 250026.47 177798.99
Icaritin
3071.88 3153.30 12103.20
Indole
66745.32 13526.18 8335.85
Isoquinoline
207742.07 109050.92 30218.03
Jasmonic acid
809866.29 1285923.98 1147017.85
Kahweol
295438.58 203291.70 79792.17
Kynurenic acid
897681.79 1136862.19 106064.81
L-Phenylalanine
55484033.86 22431101.59 23179120.50
L-Tyrosine
29094.00 8318.58 5224.18
Methocarbamol
9146.63 5989.18 67960.20
Methyl indole-3-acetate
436049.82 101881.31 181276.80
Methylparaben
10486.89 12113.88 31361.43
MMAI
6725.80 5607.07 68575.09
N4-Acetylsulfamethoxazole
8804.15 114880.84 16650.67
N-Acetyl-DL-tryptophan
57804.40 30046.17 37821.54
N-Acetyl-L-leucine
289671.28 80072.81 99466.96
N-Acetylserotonin
31845.32 73423.42 42564.45
N-Acetyltyramine
479596.51 128421.16 50890.26
N-Benzylformamide
57055.65 18440.55 20312.28
N,N^-Dicyclohexylurea
3896.95 10526.29 6060.60
Oxprenolol
16967.26 22599.42 15176.24
Oxyphenbutazone
148828.95 184571.78 14283.46
PEG n5
10264314.88 12660551.13 10122819.22
PEG n6
18093901.87 25287687.13 19758538.06
PEG n7
14208785.45 18497843.54 13596435.36
PEG n8
3706798.97 6846432.72 3005935.00
Phenacetin
50191.09 32276.92 12660.59
Pilocarpine
10743.73 4968.79 10384.81
Piperonylonitrile
250544.95 154448.21 108308.62
(R)-Equol
20365.31 102065.21 192759.70
Resorcinol monoacetate
24102.19 15040.31 37203.49
Sulfadiazine
1720342.12 81704.15 20167.06
Sulfamethoxazole
6889.49 171322.35 7035.15
Thymidine
465657.17 492956.77 1238628.81
Thymine
10146427.43 7074063.27 7159670.27
Tolycaine
114428.22 61556.21 36851.17
Tramadol-N,N-didesmethyl
11632.23 3597.19 3350.19
trans-3-Indoleacrylic acid
10472561.07 3358044.85 2736190.60
Tropinone
70447.77 58094.41 49940.48
Valpromide
21272.17 16867.88 15534.19
Vanillin
150018.35 317091.83 149419.55
Xanthurenic acid
85702.81 130164.49 13469.68

Factors:

F1Group:AAD
F2Group:ABX
F3Group:CON
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