Data for ST003144   

(Analysis AN005159): Average values per metabolite and experimental factor (Units:peak height)

Metabolite structureAll dataF1
(1,3-diphenylpropoxy)sulfonic acid
1099922.84
1,4-beta-D-Glucan
6278661.38
1,6-Digalloyl-beta-D-glucopyranose
302130.79
19-hydroxy-1,1,1-trifluoro-10(Z)-nonadecen-2-one
2309081.31
1-Deoxynojirimycin
86887.61
1-deoxyxylonojirimycin
57723.51
1-dimethylarsinoyl-octadecane
525930.17
1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol
303155.94
1H-Indole-3-acetamide
582980.88
1-Methylhistidine
530237.63
1-(Methylthio)-5-phenyl-1-penten-3-yne
70008.43
1-O-malyl-beta-D-glucose
453418.59
1-Stearoylglycerophosphoserine
475082.29
2,4-pentadienoic acid
90400.24
2-(4-sulfophenyl)butyrate
44355.73
2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-a...
39578.66
2-Amino-2-deoxy-D-gluconate
72237.44
2-amino-2-deoxy-D-gluconate 6-phosphate
68014.80
2-amino-2-deoxyglucitol-6-phosphate
398276.88
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1...
64906.69
2-Aminoacrylic acid
415964.61
2-Aminoheptanoate
8042177.75
2-Aminonaphthalene
197168.76
2^-Deoxy-5-hydroxymethylcytidine-5^-triphosphate
249460.00
2-Hydroxy-6-ketononatrienedioate
122304.28
2-Hydroxyacetaminophen sulfate
285319.42
2-Methylbutyroylcarnitine
275833.32
2-O-methyl cyclic 3-deoxy-D-arabino-heptulosonate 7-phosphat...
397257.83
2-Oxoarginine
251468.43
2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole
127155.44
(2R,3S)-Piscidic acid
2081687.72
2-thiouridine
1061861.89
3,3^,7-Trihydroxy-4^-methoxyflavone
90796.84
3,4,5-trihydroxy-6-({4-hydroxy-2-methyl-6-[(3,4,5,6-tetrahyd...
73043.09
{[3,4,5-trihydroxy-6-(5-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-...
328244.66
3,5-dibromocatechol
295648.05
3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxypropanal
30029.30
3alpha,7alpha,12alpha-trihydroxy-27-carboxymethyl-5beta-chol...
690373.77
3-Amino-2-piperidone
53140.47
3-Amino-6H-dibenzo[b,d]pyran-6-one
292920.31
3-Butynoate
47400.00
3-deoxy-D-galactose
151247.93
3-Deoxyvitamin D3
99994.40
3-(Dimethylamino)propyl benzoate
50292.34
3-Hydroxyanthranilic acid
26676.17
3-Oxo-carbofuran
60529.17
4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-...
550973.25
4-amino-4-deoxy-L-arabinose
66666.21
4-coumaroyl-3-hydroxyagmatine
37413.32
4-Guanidinobutanoic acid
214564.32
4-Heptyloxyphenol
78060.98
4-Imidazolone-5-propionic acid
60953.63
4-Methoxyglucobrassicin
211800.11
4-Oxoproline
8741896.88
4-(Trimethylammonio)but-2-enoate
10952223.38
5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein
80299.62
5-Acetamidovalerate
3074121.62
5-Aminolevulinic acid
47017417.00
5-caC
168087.89
5-Hydroxy-L-tryptophan
666525.34
5-isobutylthioribose
186913.19
5^-Methylthioadenosine
3871062.69
6-{4-[-3-[(3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl)oxy]-3-...
194963.04
6-diazo-5-oxonorleucine
167320.16
6-Hydroxyl-1,6-dihydropurine ribonucleoside
266686.40
6-Hydroxy-R-acenocoumarol
82231.48
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone
108875.86
7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1-alpha...
181485.92
7-chloro-2-(3,4-dimethoxyphenyl)-8-hydroxy-3,5,6-trimethoxy-...
91795.79
8-(3,3-Dimethylallyl)spatheliachromene
156907.05
8-Amino-7-oxononanoate
6025053.12
8-methylthiooctylhydroximoyl-L-cysteine
646264.16
(9xi,10xi,12xi)-9,10-Dihydroxy-12-octadecenoic acid
778131.40
Acetylcarnitine
57006.36
Adenine
779217.26
Adenosine monophosphate
4766495.44
aeruginosin A
223654.09
Aklanonic acid methyl ester
151255.48
Ala/Ala/Ala
181606.08
Ala/Ala/Ala/Pro
160454.98
Ala/Ala/Ala/Ser
934933.86
Ala/Ala/Ser
440570.30
Ala/Arg
120234.00
Ala/Asn
135657.23
Ala/Asn/Asp
104709.57
Ala/Asn/Pro
88395.62
Ala/Asn/Pro/Pro
278455.31
Ala/Asp/Asp/Asn/Pro
174102.45
Ala/Asp/Cys/Tyr
52189.98
Ala/Asp/Pro
399227.80
Ala/Asp/Ser
331253.73
Ala/Cys/Cys/Asn/Thr
60925.83
Ala/Cys/Cys/Cys/Asn
67508.70
Ala/Glu/Asn/Ile
98241.20
Ala/Glu/Glu/His
506453.37
Ala/Gly/Pro
138101.02
Ala/Gly/Tyr
281846.72
Ala/His
471216.61
Ala/Ile/Arg/Ile
1085401.58
Ala/Ile/Pro/Pro/Ser
570846.68
Ala/Leu/Ala/Ala
528786.17
Ala/Leu/Gly/Arg
138155.87
Ala/Leu/Gly/Tyr
117527.65
Ala/Lys
181918.46
Ala/Lys/Ala/Ala
1405533.30
Ala/Lys/Asp/Pro
279767.65
Ala/Lys/Lys/Asp
673042.15
Ala/Lys/Thr/Arg
98616.10
Ala/Met/Cys/Cys
20416.89
Ala/Met/Trp/Asp
68989.67
Alanine
7229890.75
alanyl-L-alpha-thiophenylglycine
881175.16
Ala/Phe/Thr/Pro
44141.17
Ala/Pro
4276840.56
Ala/Pro/His/His
203632.77
Ala/Pro/Ser/Ser
154002.64
Ala/Ser/Ser
50002.73
Ala/Thr/Ala/Asp
290876.31
Ala/Thr/Ala/Ser
65534.99
Ala/Val/Asp/Ser
106914.39
Ala/Val/Gly/Pro
182087.51
Allysine
73298.22
Aloesin
241292.41
alpha-D-desosamine
1148536.20
Amidosulfuron
103620.82
Aminoadipic acid
725402.87
Aminohydroquinone
157482.82
Anthemis glycoside B
552990.77
Apetalolide
392568.65
Arg/Phe/Cys/Gly
102211.24
Arg/Pro/Tyr/Arg
446549.24
Arg/Tyr
1128001.33
Arsenobetaine
85049.77
Asn/Arg
117940.98
Asn/Asn
75038.86
Asn/Asp
249133.87
Asn/His
249118.45
Asn/Leu/Lys/Asp
79351.38
Asn/Leu/Pro/Pro
277701.97
Asn/Lys/Gly/Gly
72278.00
Asn/Lys/Met/Thr
207148.65
Asn/Phe/Asn/Gly
526387.30
Asn/Pro
2327558.34
Asn/Thr/Cys/Ser
230852.37
Asparaginyl-Hydroxyproline
72116.87
Aspartylglycosamine
596028.00
Asp/Cys/Ser/Tyr
45214.24
Asp/Gly/Arg
228230.77
Asp/Gly/His
44056.09
Asp/His/His/Met/Trp
87592.38
Asp/Phe/Pro/His
164659.00
Asp/Pro
3095061.06
Asp/Pro/Ser
21078.87
Asp/Thr/Cys/Cys
39604.07
Avicularin
135755.56
bathophenanthroline sulfonate
102510.65
Biotin
37300.36
Biotin amide
833025.19
BPH-674
91595.83
Brassicanal A
87439.95
Brusatol
130562.29
Butyrylcarnitine
645054.81
Canadine
-
Cancentrine
347864.45
Capryloylglycine
134280.79
Carnitine
20190924.25
CDP-glucose
54474.34
CDP-ribitol
65566.47
Cer(d40:1)
131785.14
Cer(d40:2)
401755.18
Cer(d42:2)
2501678.50
Cerulenin
1627792.86
Chlorambucil
96992.39
Chlordane
68534.05
Chlorosesamone
89512.11
Chorismate
164058.44
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene
1574032.03
cis-Resveratrol 3-sulfate
153740.82
Citrulline
16270269.50
Coalpha-[alpha-(2-methyladenin-9-yl)]-Cobeta-adenosylcobamid...
424816.42
coelenterazine v
91522.81
Compound VII
40124.89
Creatine
433283552.00
Creatinine
2039602.73
CTAB
139985.46
cycloguanil
115090.23
Cys/Asp/Asp/Pro/Ser
12763244.75
Cys/Cys/Asn/Gln/Thr
84893.73
Cys/Cys/Asn/Ser/Thr
59889.32
Cys/Cys/Asp/Asn/Pro
144998.55
Cys/Gly/Pro
2391142.56
Cys/Gly/Ser/Tyr
62812.73
Cys/Gly/Trp/Trp/Trp
8501257.50
Cys/Lys/Thr/Thr
186753.59
Cys/Lys/Thr/Thr/Thr
259932.35
Cysteineglutathione disulfide
594997.48
cytidine 5^-{[hydroxy(2-hydroxyethyl)phosphonoyl]phosphate}
174637.57
Deoxycytidine
45414.75
Deoxyguanidinoproclavaminic acid
135162.21
DG(36:2)
932983.22
DG(44:4)
63899.98
Diaminopimelic acid
1562326.92
dibenzothiophene-5-oxide
294653.41
Diethanolamine
579396.22
Diethyl tartrate
58198.91
Dihydrobiopterin
9583346.38
Dihydrozeatin-O-glucoside
423639.70
Dimethylethanolamine
46096.61
dIMP
1061929.03
diuron
300712.66
DL-2-Aminooctanoic acid
12892017.50
Dopa
292410.14
Ectoine
300025.52
Epinephrine
37925.75
erucamide
1927420.02
erythro-D-galacto-octitol
215213.61
Erythro-imidazole-glycerol-phosphate
89869.79
Fagomine
171502.56
Ferulic acid 4-sulfate
88692.47
Galipine
-
Gallagic acid
183737.90
gamma-Aminobutyric acid
455398.26
gamma-Fagarine
113126.21
Gamma glutamyl ornithine
75082.79
Gamma-Glutamyl-Se-methylselenocysteine
677461.50
gamma-thiomethyl glutamate
85626.57
Gentisin
494344.46
Glu/Ala/Pro
245481.85
Glu/Ala/Ser
448154.94
Glu/Ala/Thr
58130.52
Glu/Ala/Val
427358.07
Glu/Arg
87820.20
Glu/Asp/Val
75779.53
Glu/Glu/Glu/Lys/Trp
219510.86
Glu/Glu/Lys/Pro
85165.32
Glu/Glu/Pro
574535.10
Glu/Lys
150493.15
Glu/Met/Thr
74095.11
Glutamic acid
112832156.00
Glutamine
312382112.00
glutathione sulfinate
3762300.19
Gly/Arg
165668.32
Gly/His
130975.87
Gly/Leu
141261.07
Gravacridonolchlorine
122429.46
Guanidoacetic acid
193375.76
Halosulfuron-methyl
192977.23
Heptadecanoyl carnitine
932575.67
Heterodendrin
4462784.06
His/Asn/Arg/Ser/Ser
133675.29
His/His
294869.98
His/Leu
325188.45
Histidine
1220375.41
Histidine trimethylbetaine
18052283.75
Homocitrulline
181692.07
Homoglutathione
284636.43
Hydroxybutyrylcarnitine
659111.24
Hydroxyhexanoycarnitine
164370.27
hydroxyisovaleroyl carnitine
2107921.22
Hypoxanthine
216109100.00
Ile/Ala
2783912.12
Ile/Ala/Ser
176175.91
Ile/Arg
214576.75
Ile/Arg/Arg/Arg/Tyr
118175.63
Ile/Cys/Gly
765987.83
Ile/Cys/Phe
117790.81
Ile/Gly/Lys
118578.08
Ile/Lys
187650.88
Ile/Lys/Pro
3074960.94
Ile/Pro
4463634.50
Ile/Ser
801684.75
Ile/Thr
427052.26
Ile/Tyr
34460.29
Ile/Val
1345442.55
Indole
118420.80
(indolylmethylthiohydroximoyl)-L-cysteine
179818.06
Inosine
298354.82
Inositol cyclic phosphate
529533.91
Isoquinoline
22470.05
Kaempferol 3-sulfate-7-alpha-arabinopyranoside
326556.57
Kievitone hydrate
7185203.56
Kynurenic acid
9815.14
Kynurenine
64057.62
Labriformin
445161.13
Lacto-N-tetraose
97386.33
Lactosylceramide (d18:1/16:0)
307827.37
Lactoylglutathione
71840.97
Lenticin
8489671.94
Leucine
43167910.00
Leu/Leu
308435.24
Linatine
118266.36
Linoleyl carnitine
1282230.12
Longifolonine
591345.48
Lys/Ala/Gly
86395.46
Lys/Asn
153558.67
Lys/Gly
460153.79
Lys/His
811202.56
Lysine
3242331.69
Lys/Met/Thr/Thr/Thr
174051.19
LysoPC(16:0)
6039028.62
LysoPC(16:1)
298124.29
LysoPC(18:0)
13388207.25
LysoPC(18:1)
1623995.22
LysoPC(18:2)
1511186.62
LysoPC(18:3)
390163.56
LysoPC(20:0)
369911.72
LysoPC(20:3)
267253.94
LysoPC(O-16:1)
908861.84
LysoPC(O-18:0)
392813.17
LysoPC(O-18:1)
366719.32
LysoPE(18:0)
664118.34
LysoPE(18:1)
1514520.78
LysoPE(20:0)
1096297.41
LysoPE(20:4)
1399320.05
LysoPE(22:4)
313536.75
LysoPE(22:5)
317378.22
LysoPE(22:6)
390041.77
Lys/Phe
87555.03
Lys/Pro
808440.17
Lys/Ser
833960.36
Lys/Thr
229677.10
Lys/Thr/Ser
198901.89
Lys/Trp/Gly
102683.66
Lys/Val/Gly
191639.29
Maleic acid homopolymer
154245.65
malyl alpha-D-glucosaminide
51855.75
Mannitol
21198915.50
meleagrin
61624.77
Met/Ala/Gly
1909797.72
Methionine
28964844.50
Methyl 2-diazoacetamidohexonate
1184483.64
Met/Phe/Gly
50202.48
MK-129
154797.97
Montecristin
161983.60
MOPS
66252.68
Muramic acid
2569551.66
Murrayanine
154021.22
N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole
44237.59
N-(1-Deoxy-1-fructosyl)proline
86341.59
N2-(D-1-Carboxyethyl)-L-arginine
272555.95
N2-gamma-Glutamylglutamine
163427.61
N-(3-oxooctanoyl)-L-homoserine
229291.24
N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)alanine
61810.90
N(6)-Methyllysine
45358.67
N6,N6,N6-Trimethyl-L-lysine
2402866.34
N-Acetyl-b-glucosaminylamine
115698.46
N-Acetyl-D-fucosamine
1479058.06
N-Acetyl-D-glucosamine
1459823.72
N-acetyl-L-2-aminoadipate(2-)
3771850.69
N-Acetyllactosamine
981867.61
N-Acetylneuraminic acid 9-phosphate
470066.97
N-Acetylvanilalanine
422150.03
N-(docosenoyl)-hexadecasphing-4-enine-1-phosphoethanolamine
94227.76
N-(eicosanoyl)-sphinganine-1-phospho-(1^-myo-inositol)
769440.16
Ne,Ne dimethyllysine
75828.56
Neohesperidose
147389.09
Neotussilagine
250764.06
Neuraminic acid
118634.45
N^-Formylkynurenine
65740.82
N-Formyl-L-methionine
523641.66
Ngaione (-)
157904.79
Niacinamide
3204326.56
nicotinamide guanine dinucleotide
73679.30
Nigakinone
153273.36
Nitisinone
535046.45
N-(L-Arginino)succinate
696967.34
N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanine
174687.39
N-Palmitoylsphingosine
922294.79
N-Ribosylhistidine
124158.24
N-Sulfo-D-glucosamine
98601.55
Octylamine
219909.48
Oleoylcarnitine
2942150.88
Ophthalmic acid
162912.30
Ornithine
7472352.25
Otonecine
489249.12
Oxidized glutathione
35818393.25
Palmitoylcarnitine
3467240.06
Palmitoylethanolamide
794880.75
Pantothenic acid
438596.46
PC(29:0)
1233130.11
PC(29:1)
880300.59
PC(32:1)
4235463.44
PC(34:2)
3029587.12
PC(35:6)
2870397.06
PC(36:2)
27371814.00
PC(36:3)
4307546.88
PC(36:4)
24812829.00
PC(38:4)
13922439.00
PC(38:5)
8626789.00
PC(38:6)
7065087.25
PC(40:5)
1898576.69
PC(40:6)
2832459.06
PC(40:7)
616026.45
PC(O-16:0)
748690.70
PC(P-38:4)
1286698.16
P-DPD
21637.92
PE(34:3)
833020.16
PE(35:0)
2202831.12
PE(36:4)
5396800.25
PE(37:1)
77427776.00
PE(38:1)
1841793.22
PE(42:2)
340935.59
PE(43:4)
578452.28
Pencycuron
389426.02
penem CGP31608
131074.23
PE(P-20:0)
263089.69
PE(P-36:2)
791959.45
PE(P-36:4)
2783353.31
PE(P-38:3)
1166440.17
PE(P-38:5)
4070553.06
PE(P-38:6)
1484833.69
PE(P-40:5)
2203798.25
Phe/Arg
246510.55
Phe/Arg/Arg/Arg/Thr
82029.08
Phe/Asn
45289.61
Phe/Cys/Arg
214196.11
phe-FMDP
135029.00
Phe/Gly/His
266496.57
Phenylalanine
14874874.75
phenyl sulfoxide
1885753.03
Phosphocreatine
365930.33
Phosphophosphinate
89683.70
PI(32:1)
229046.02
Pipecolic acid
35938.07
Prenol
7516999.88
Pro/His
248637.99
Proline
70007285.00
Propionylcarnitine
3825438.81
Pro/Ser
152295.65
Prosopinine
294743.21
Prosulfuron
89170.63
PS(34:0)
654043.64
PS(42:10)
416741.05
Pyridoxine
4860083.00
Quercetagetin 3^-methylether 7-glucoside
185881.97
Quinaldic acid
202961.13
quinocarcin
44639.24
(R) 2,3-Dihydroxy-3-methylvalerate
39474.49
Resistomycin
43168.22
Ribitol
167209.06
Rugosinone
192501.91
Salicyluric beta-D-glucuronide
1214901.79
(S)C(S)S-S-Methylcysteine sulfoxide
96009.61
Selenium Sulfide
89348.70
Ser/Arg
224549.25
Ser/His
213360.55
Serine
11491088.75
Serotinose
386898.36
Slaframine
5776289.88
SM(d32:1)
2634513.34
SM(d33:1)
1846986.38
SM(d34:1)
22637793.00
SM(d34:2)
2073262.91
SM(d35:1)
665544.01
SM(d36:1)
4157376.81
SM(d37:1)
111972.80
SM(d38:1)
521924.45
SM(d38:2)
869473.66
SM(d39:1)
105165.86
SM(d39:2)
63796.90
SM(d40:1)
2300930.67
SM(d40:2)
2001149.12
SM(d40:3)
73578.75
SM(d41:2)
636318.31
SM(d42:1)
4746531.05
SM(d42:3)
2218853.94
SM(d43:1)
149987.15
SM(d43:2)
145994.94
Stearoylcarnitine
3751758.78
Tecostanine
293860.13
Temurin
200131.69
tetrahydrocolumbamine
219470.82
Thiazinamium
111758.59
thioacetazone
53767.86
Thiomorpholine 3-carboxylate
-
Thr/Ala/Pro
237936.68
Threonine
8498814.38
Thr/His
139416.44
Thr/Pro
1380309.92
Thr/Ser
154538.09
Thr/Trp/Cys
102266.83
Thr/Trp/Pro
112858.93
trametinib
3231775.25
Triacetin
75589.25
Triadimenol
49116.83
tridecadienoic acid
348519.18
triethylene glycol
425131.99
Trp/Asn
376437.96
Trp/Cys/Arg
50269.79
Trp/Cys/Gly
190115.71
Tryptophan
7434655.38
tunicamine
181456.88
Tyrosine
32305698.50
Val/Arg
192371.89
Val/Asp
459268.49
Val/Gly
77977.38
Val/His
703180.08
Valine
57507669.00
Val/Pro
73579.99
versicolorin A
8189553.75
Vulgaxanthin-II
72198.34
Xestoaminol C
247885.68
Zearalenone 4-sulfate
68531.55

Factors:

F1Sample source:iRBC | treatment:Compound MMV1557817
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