Data for ST000922   

(Analysis AN001511): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2
1_2_4-Trimethylbenzene
6926.87 28708.94
1,3-Diisopropylbenzene
71021.43 131930.97
1,4-Dimethylimidazole
707895.08 726088.18
1-(4-Methoxyphenyl)piperazine
43565.32 1139.40
1,6-Dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
247620.03 24852.28
1-(beta-D-Ribofuranosyl)-1_4-dihydronicotinamide
430708.37 665723.91
1-Hexadecanoylpyrrolidine
76016.85 185537.78
1-Methyladenine
82475.01 101819.21
1-Pyrroline-4-hydroxy-2-carboxylate
656177.42 437201.02
2,2,6,6-Tetramethyl-4-piperidinol
2330925.14 5174906.45
2_2^-Iminodipropanoate
269185.55 230065.38
2_4-Dinitrophenylhydrazine
6200.59 57730.07
2-Amino-4-[(3-aminopropyl)amino]butanoic acid
339748.44 205752.15
2-Amino-4-[(4-aminobutyl)amino]butanoic acid
418445.74 341595.06
2-Amino-4-hydroxypteridine-6-carbaldehyde
603846.28 265884.38
2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinecarboxylic ac...
112012.02 24074.67
2-Amino-7-methyl-7,9-dihydro-1H-purine-6,8-dione
122711.88 209244.53
2-Methylcholine
276986.47 173300.07
2-Methylguanosine
69403.86 210349.21
2-oxo-1_2-dihydroquinoline-4-carboxylate
91966.26 25542.08
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate_R1
2403484.44 1256331.02
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate_R2
282647.14 255932.62
(2S)-2-Amino-8-hydroxyoctanoic acid_R1
4021942.14 2623194.97
(2S)-2-Amino-8-hydroxyoctanoic acid_R2
2999950.47 2616287.24
(2S)-2-Amino-8-hydroxyoctanoic acid_R3
3136402.81 2119545.58
(2S)-2-Amino-8-hydroxyoctanoic acid_R4
1382462.08 929001.80
3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-2-yl]-L-a...
300492.38 386424.59
3-[(2-Methylbutanoyl)oxy]-4-(trimethylammonio)butanoate
2280336.85 989309.21
3-Carboxy-1-methylpyridinium;N-Methylnicotinicacid
8545528.90 9376630.79
3-Dehydrocarnitine_R1
13467581.08 8721026.49
3-Dehydrocarnitine_R2
1282092.15 1001097.94
3-Dehydrocarnitine_R3
1382716.36 1053964.85
3-Dehydrocarnitine_R4
980114.53 792585.36
3-Guanidinopropanoate
482732.92 453451.21
3-Methylcrotonylglycine
598214.16 361387.06
(3R,6R)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-met...
51783.77 109956.80
4,4-Dimethyl-5-(methylcarbamoyloxyimino)valeronitrile
190453.12 150374.30
4-Aminohippuricacid
31574.01 39851.73
4-Amino-N^-hydroxypyrimidine-5-carboximidamide
15852.47 114218.24
4-[(E)-2-{[1-Carboxy-3-(methylsulfinyl)propyl]amino}vinyl]-2...
146807.44 60332.02
4-Guanidinobutanal
1198301.41 3174814.66
4-(Heptyloxy)phenol
1867889.13 3518308.94
4-Hydroxy-5-[(E)-(hydroxymethylene)amino]-6-iminio-2-imino-1...
153560.44 28997.69
4-Hydroxy-8-(beta-D-talopyranosyloxy)-2-quinolinecarboxylic ...
124672.73 429405.26
4-Hydroxy-8-(beta-D-talopyranosyloxy)-2-quinolinecarboxylic ...
138672.83 371197.38
4-Methylene-L-glutamate
255576.01 374910.43
4-Methylene-L-glutamine
6277625.87 5736227.64
4-Nitroaniline
381196.38 247408.91
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanol
6014840.39 5432355.82
(4R)-4-{[3-(2-Aminoethyl)-1H-indol-5-yl]methyl}-1,3-oxazolid...
132595.88 22323.36
(5E,7E)-Dodecadienal
310749.89 590059.27
5-Methylcytosine
115717.59 139837.78
(5R,6S)-3-[(2-Aminoethyl)sulfanyl]-6-(hydroxymethyl)-7-oxo-1...
750087.85 258217.78
6-Acetamido-3-aminohexanoate
5962344.77 3793069.96
6-Acetyl-2-amino-1,7,8,9-tetrahydro-4H-pyrimido[4,5-b][1,4]d...
584741.98 134447.70
6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol
246859.19 317119.45
7-Aminomethyl-7-deazaguanine
109915.55 94298.47
7-Methoxy-2-methylene-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5...
57436.77 64546.99
7-Methylguanine
693479.54 789357.13
8-Amino-7-oxononanoate_R1
520877.40 636685.47
8-Amino-7-oxononanoate_R2
232663.66 156277.59
8-Amino-7-oxononanoate_R3
91341.21 172768.17
8-Amino-7-oxononanoate_R4
59266.27 76109.57
8-[(Carboxymethyl)amino]-8-oxooctanoic acid
21832.01 145850.46
8-Oxocoformycin
46531.23 186401.84
Aceclidine
734522.13 627302.82
Acetophenone_R1
1737104.11 535291.21
Acetophenone_R2
699197.59 403237.91
Acetyl-beta-methylcholine
8493752.68 7063696.07
Acetylcholine_R1
9858045.14 3288153.32
Acetylcholine_R2
9270091.83 5924406.09
Acetylcholine_R3
85726.87 86598.77
Acetyl-L-carnitine_R1
2947347.28 1928656.75
Acetyl-L-carnitine_R2
296592.20 360806.04
Aciclovir
182937.85 82294.07
Adenine
130160.42 202555.71
afegostat
3689554.71 2659740.64
Anhydroecgonine methyl ester
254774.76 239025.15
Arecoline
81148.23 86657.76
Asparaginyl-4-hydroxyproline
151256.52 106521.85
Asulam
506709.95 1485105.14
Benserazide
55062.93 130770.96
Benzimidazole
77502.57 77163.71
Betaine
8165188.45 5418904.05
beta-Ionone
115352.41 244719.17
Biopterin
419442.60 158107.23
Butyryl-L-carnitine
723945.09 168114.30
Caprolactam
9891544.65 14216696.01
carisoprodol
37737.35 142972.22
Choline_R1
3211319.78 2025332.33
Choline_R2
899510.87 606047.54
Cholinesulfate_R1
8943361.65 7879829.36
Cholinesulfate_R2
338806.76 245383.23
Creatinine
287374.72 403711.85
Cyprodenate_R1
2018237.47 3545176.78
Cyprodenate_R2
406887.17 785101.09
Cytosine_R1
238673.09 705490.57
Cytosine_R2
485496.10 1005450.58
DEET
62274.56 96780.53
delta-Guanidinovalericacid
81451.05 33135.65
deoxyhypusine
59961.59 56016.61
Deoxyribosetriphosphate
1008569.94 612652.94
Deoxyuridine
187810.85 132507.73
Dihydrothymine
4279064.89 7536551.95
dl-Bamethane
74366.04 48420.35
DL-Carnitine_R1
9777157.20 6999264.31
DL-Carnitine_R2
5225154.46 5307607.47
DL-Carnitine_R3
5074142.54 4989203.05
DL-Stachydrine_R1
79767588.40 71688941.93
DL-Stachydrine_R2
20371604.29 16486582.58
D-Phenylalanine
1968489.82 2054092.81
Ectoine
19592141.62 18491903.81
Erucamide
1805776.24 5101605.64
Ethyl N-acetyl-N-butyl-beta-alaninate_R1
66628.16 181214.06
Ethyl N-acetyl-N-butyl-beta-alaninate_R2
81694.62 132092.74
formyl-isoglutamine
72858.56 53490.34
Gabapentin_R1
422456.40 246251.87
Gabapentin_R2
76179.34 53391.36
g-Aminobutyryl-lysine
52040.21 41446.94
gamma-Glutamyl-gamma-aminobutyraldehyde
43931.04 71400.53
gamma-Glutamylleucine
636214.84 504590.17
gamma-L-Glutamylputrescine_R1
779987.56 487725.78
gamma-L-Glutamylputrescine_R2
38881.12 34512.25
gln-lys
3755.60 41304.04
Glycylproline
437098.96 494128.47
Guanine
56316.49 214666.63
Guvacoline
173077.70 111387.96
Heptanophenone
531202.50 947274.45
Hexanoylglycine_R1
1920135.07 1362354.24
Hexanoylglycine_R2
37062.11 82454.36
Hexylamine
123775.32 258230.60
Hypoxanthine_R1
4708815.99 4825584.32
Hypoxanthine_R2
1271910.34 2571869.72
Hypusine
191996.03 127114.13
Imagabalin
737108.21 332568.10
Imidazoleacetic acid
1087922.82 2185126.44
Indole;1-Benzazole
21540.70 42869.39
ionene
38663.87 79353.84
Kynurenic acid
298980.21 62431.89
L-Alanyl-L-proline
89655.39 69692.02
L(-)-Carnitine
48743094.14 39096389.40
Leucine_R1
10992758.79 8927679.06
Leucine_R2
1041571.69 1470727.94
L-Indospicine
225614.72 73290.05
Linoleoyl Ethanolamide
27260.51 48188.31
L-Prolinamide
137492.13 452120.00
(-)-Lupinine
24183.15 59373.32
lys-thr
177443.65 112959.32
MDMA Methylene homolog
446292.49 216598.82
mebutamate
69713.61 351238.54
Mercaptoethanol
354803.31 204814.00
Methylimidazoleacetic acid_R1
1601333.24 874881.40
Methylimidazoleaceticacid_R2
3060204.65 1998328.86
Methylimidazoleaceticacid_R3
231274.43 99821.61
methyprylon_R1
597123.15 364549.01
methyprylon_R2
127798.37 81393.58
methyprylon_R3
122391.49 110958.98
N-(1-{[Methyl(2-methyl-2-propanyl)carbamoyl]amino}ethyl)-alp...
75909.59 25840.51
N-(4-Carbamimidamidobutyl)acetamide
904205.81 2981260.03
N-(5-Aminopentyl)acetamide_R1
5120250.99 1307538.82
N-(5-Aminopentyl)acetamide_R2
25891.74 3060.86
N5-Ethyl-L-glutamine
61331.71 75212.71
N(6),N(6)-Dimethyladenine
285141.64 479156.42
N-Acetylputrescine
10059523.63 13990792.69
N-alpha-Acetylarginine
122485.66 138427.72
N-alpha-L-Acetyl-arginine
191124.19 157940.30
n-Amylbenzene
9155.75 31296.02
N-Carbamoylputrescine
102752.50 296289.20
n-Hexanamide
517740.71 599854.35
n-Hexanamide_R1
2324940.11 1481069.00
n-Hexanamide_R2
1005040.58 586881.42
Nicotinamide
86752.76 80930.16
N-Methylpyridinium
41920.93 51693.95
N,N-Diethyl-4-methyl-1-piperazinecarboxamide 4-oxide_R1
363265.46 313350.85
N,N-Diethyl-4-methyl-1-piperazinecarboxamide 4-oxide_R2
88797.05 75708.58
N,N-Diisopropylethylamine (DIPEA)
6830415.69 35760371.07
N-Tridecanoylglycine
41698.55 104505.94
N-Undecanoylglycine_R1
1267411.19 1853443.15
N-Undecanoylglycine_R2
745167.54 1454309.74
Oleoylethanolamide
22642.04 65339.56
Pantothenicacid(VitaminB5)_R1
454165.37 609916.74
Pantothenicacid(VitaminB5)_R2
26874.66 41425.36
Paracetamol_R1
182443.28 216909.01
Paracetamol_R2
97281.73 97064.18
p-cymene
16476.10 35164.39
PEG n10
131933.87 332871.76
PEG n5_R1
813278.28 681490.09
PEG n5_R2
191192.11 131839.40
PEG n6_R1
786498.42 900599.09
PEG n6_R2
375587.12 448587.12
PEG n6_R3
427062.57 600719.84
PEG n7
161946.28 431336.50
PEG n8
446309.82 694146.87
PEG n9
216366.24 379912.12
Phenacetin_R1
13261135.36 16027636.10
Phenacetin_R2
50870.84 26007.08
Pregabalin_R1
2847457.17 2835316.83
Pregabalin_R2
328357.68 188632.15
Prenyl-L-cysteine
657708.91 340018.26
Proclavaminicacid
26563.50 56399.37
Prolylleucine
161228.66 76323.65
Propionylcarnitine
1699004.36 810362.96
Psilocybin
643524.61 306377.42
p-Xylene
17668.73 34815.64
(R)-1-Aminopropan-2-ol
1388533.20 258426.14
RiboflavinB2
653939.33 321690.00
(S)-1-Pyrroline-5-carboxylate
195512.52 318176.28
(S)-Carnitine
6801265.41 2249167.95
(S-(R*,R*))-3-((1-Carboxy-3-phenylpropyl)amino)-2,3,4,5-tetr...
17773.85 507262.56
S_S-Dimethyl-beta-propiothetin
5128.93 58662.80
Sulfanilic acid
5870381.43 2427047.63
Taurine
684527.05 672366.09
tetrahomomethionine
64964.40 48138.74
Tetrahydro-2-thiophenylacetic acid
76096.41 57082.42
tranexamic acid_R1
2497513.24 1980869.41
tranexamic acid_R2
469281.80 420792.87
tranexamic acid_R3
299427.70 161316.70
trans-Methyl dihydrojasmonate
736733.28 1425012.06
Trigonelline_R1
51586706.58 51953298.26
Trigonelline_R2
1688707.88 1741778.88
trihomomethionine
525508.72 329637.57
tybamate
289684.05 261629.01
Tyramine
280708.80 135437.44
tyramine sulfate_R1
5437783.39 3072666.39
tyramine sulfate_R2
2651935.98 2025612.44
tyramine sulfate_R3
60578.53 1298216.99
UNII:212JQJ15PS
30669.65 59344.54
UNII:6S7S02945H
7811.99 23371.40
UNII:BI845A018T
2183186.60 3849906.15
UNII:OG645J8RVW
675378.16 891902.69
UNII:V18J24E25E
275273.03 144511.13
Valerolactam
3798044.20 7005308.86
Valpromide_R1
1825353.40 533673.47
Valpromide_R2
815609.48 589436.07
Valpromide_R3
268267.87 83966.38
Valyl-4-hydroxyproline
35623.20 11261.45
Xanthopterin-B2
258263.59 26864.71
Xanthurenic acid_R1
2067774.64 759394.77
Xanthurenic acid_R2
1725708.37 1205264.61
Xanthurenic acid_R3
707011.63 235791.67
Xanthurenic acid_R4
128859.92 469532.84
Zalcitabine
263825.01 237338.32

Factors:

F1Diet:mud crab diet
F2Diet:oyster diet
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