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Return to study ST000972 main page
Analysis: GCxGC TOF POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,3-Diaminopropane
1,3-Diaminopropane
ME238738
428
C00986
-
-
1,5-Anhydrosorbitol
1,5-Anhydrosorbitol
ME238725
64960
C07326
-
-
1-Butylamine
1-Butylamine
ME238800
8007
-
-
-
1-Hexadecanol
Cetyl alcohol
ME238786
2682
C00823
-
-
1-Hexanol
1-Hexanol
ME238731
8103
C00854
-
-
1-phthylamine
1-Naphthylamine
ME238812
-
C14790
-
-
1-Undecanol
1-Undecanol
ME238790
8184
-
-
-
2-Hydroxyphenethylamine
2-Hydroxyphenethylamine
ME238709
1000
C02735
-
-
2-Pyrrolidinone
2-Pyrrolidinone
ME238717
12025
C11118
-
-
3-Hexenedioic acid
3-Hexenedioic acid
ME238685
5351896
-
-
-
3-Methyl-3-buten-1-ol
3-Methyl-3-buten-1-ol
ME238735
12988
-
-
-
4-Hydroxyproline
cis-4-Hydroxyproline
ME238774
5810
C01157
-
-
Acetic acid
Acetic acid
ME238666
176
C00033
-
-
Acrylic acid
Acrylic acid
ME238736
6581
C00511
-
-
Adipic acid
Adipic acid
ME238687
196
C06104
-
-
Aesculetin
Aesculetin
ME238799
5281416
C09263
-
-
Allantoin
Allantoin
ME238765
204
C01551
-
-
Allyl propiote
Allyl propanoate
ME238797
61319
-
-
-
Alpha-Lactose
Lactose
ME238752
84571
C00243
-
-
Alpha-Linolenic acid
alpha-Linolenic acid
ME238713
5280934
C06427
-
-
Alpha-Tocopherol
alpha-Tocopherol
ME238780
14985
C02477
-
-
Aminomalonic acid
Aminomalonic acid
ME238710
100714
C00872
-
-
Aniline
Aniline
ME238785
6115
C00292
-
-
Arabinofuranose
Arabinofuranose
ME238729
440921
C06115
-
-
Arachidonic acid
Arachidonic acid
ME238708
444899
C00219
-
-
Ascorbic acid
Vitamin C
ME238739
54670067
C00072
-
-
Azelaic acid
Azelaic acid
ME238698
2266
C08261
-
-
Benzoic acid
Benzoic acid
ME238716
243
C00180
-
-
Butyl propiote
Butyl propanoate
ME238798
11529
-
-
-
Butyric acid
Butyric acid
ME238665
264
C00246
-
-
Cadaverine
Cadaverine
ME238722
273
C01672
-
-
Capric acid
Capric acid
ME238688
2969
C01571
-
-
Caproic acid
Caproic acid
ME238689
8892
C01585
-
-
Carbachol
Carbachol
ME238791
5831
-
-
-
Carbamic acid
Carbamic acid
ME238728
277
C01563
-
-
Cholesterol
Cholesterol
ME238667
11025495
C00187
-
-
Citraconic acid
Citraconic acid
ME238691
643798
C02226
-
-
Citric acid
Citric acid
ME238741
311
C00158
-
-
Coumarin
Coumarin
ME238775
323
C05851
-
-
Creatinine
Creatinine
ME238767
588
C00791
-
-
D-Alanine
D-Alanine
ME238776
71080
C00133
-
-
D-Fructose
Fructose
ME238770
439709
C02336
-
-
D-Galactose
Galactose
ME238672
439357
C00984
-
-
D-Glucose
Glucose
ME238670
5793
C00031
-
-
Dihydrouracil
Dihydrouracil
ME238740
649
C00429
-
-
Dimethylurea
N,N-Dimethylurea
ME238796
7293
C16364
-
-
D-Malic acid
D-Malic acid
ME238804
92824
C00497
-
-
D-Maltose
Maltose
ME238748
10991489
C00208
-
-
D-Mannose
Mannose
ME238677
18950
C00159
-
-
Docosahexaenoic acid
Docosahexaenoic acid
ME238720
445580
C06429
-
-
Docosanol
Behenyl alcohol
ME238733
12620
-
-
-
Dodecanoic acid
Lauric acid
ME238692
3893
C02679
-
-
D-Phenyllactic acid
L-3-Phenyllactic acid
ME238768
-
C05607
-
-
D-Pinitol
Pinitol
ME238737
-
C03844
-
-
D-Ribose
Ribose
ME238763
5779
C00121
-
-
D-Ribose 5-phosphate
Ribose 5-phosphate
ME238777
439167
C00117
-
-
D-Xylulose
L-Ribulose
ME238779
5289590
C00310
-
-
Elaidic acid
Elaidic acid
ME238690
445639
C00712
-
-
Erythritol
Erythritol
ME238726
222285
C00503
-
-
Ethanol
Ethanol
ME238669
702
C00469
-
-
Ethanolamine
Ethanolamine
ME238746
700
C00189
-
-
Ethylamine
Ethylamine
ME238732
6341
C00797
-
-
Ethyl benzoate
Ethyl benzoate
ME238806
7165
C01839
-
-
Gamma-Tocopherol
gamma-Tocopherol
ME238715
14986
-
-
-
Glutaric acid
Glutaric acid
ME238693
743
C00489
-
-
Glycerol
Glycerol
ME238671
753
C00116
-
-
Glycine
Glycine
ME238743
750
C00037
-
-
Glyoxylic acid
Glyoxylic acid
ME238742
760
C00048
-
-
Guanosine
Guanosine
ME238744
6802
C00387
-
-
Heptadecanoic acid
Margaric acid
ME238721
10465
-
-
-
Heptanoic acid
Heptylic acid
ME238694
8094
C17714
-
-
Hydroxypropionic acid
Hydroxypropionic acid
ME238773
68152
C01013
-
-
Indoleacetic acid
Indoleacetic acid
ME238755
802
C00954
-
-
Isocaproic acid
Isocaproic acid
ME238695
12587
-
-
-
Ketamine
Ketamine
ME238794
3821
C07525
-
-
L-Alanine
Alanine
ME238747
5950
C00041
-
-
L-Arginine
Arginine
ME238766
6322
C00062
-
-
L-Asparagine
Asparagine
ME238749
6267
C00152
-
-
L-Aspartic acid
Aspartic acid
ME238678
5960
C00049
-
-
L-Cystine
Cystine
ME238754
67678
C00491
-
-
Levamisole
Levamisole
ME238793
26879
C07070
-
-
L-Glutamic acid
Glutamic acid
ME238745
33032
C00025
-
-
L-Glutamine
Glutamine
ME238769
5961
C00064
-
-
L-Iditol
L-Iditol
ME238787
5460044
C01507
-
-
L-Isoleucine
Isoleucine
ME238750
6306
C00407
-
-
L-Leucine
Leucine
ME238771
6106
C00123
-
-
L-Lysine
Lysine
ME238751
5962
C00047
-
-
L-Methionine
Methionine
ME238772
6137
C00073
-
-
L-Phenylalanine
Phenylalanine
ME238674
6140
C00079
-
-
L-Proline
Proline
ME238675
145742
C00148
-
-
L-Serine
Serine
ME238753
5951
C00065
-
-
L-Threonine
Threonine
ME238676
6288
C00188
-
-
L-Tryptophan
Tryptophan
ME238707
6305
C00078
-
-
L-Tyrosine
Tyrosine
ME238673
6057
C00082
-
-
Lumichrome
Lumichrome
ME238811
-
C01727
-
-
L-Valine
Valine
ME238705
6287
C00183
-
-
Malonic acid
Malonic acid
ME238696
867
C00383
-
-
Methionine sulfoxide
Methionine sulfoxide
ME238782
847
-
-
-
Methyl benzoate
Methyl benzoate
ME238807
7150
-
-
-
Methyl propenyl ketone
Methyl propenyl ketone
ME238711
637920
-
-
-
myo-Inositol
Myo-inositol
ME238680
-
C00137
-
-
Myristic acid
Myristic acid
ME238700
11005
C06424
-
-
N-Acetyl-D-glucosamine
N-Acetyl-D-glucosamine
ME238757
439174
C00140
-
-
N-Alpha-acetyllysine
N(2)-Acetyllysine
ME238686
192590
C12989
-
-
N-Decane
N-Decane
ME238803
15600
-
-
-
N-Dodecane
N-Dodecane
ME238801
8182
C08374
-
-
N-Methyl-a-aminoisobutyric acid
N-Methyl-alpha-aminoisobutyric acid
ME238784
6951124
-
-
-
Nocosane
Nonacosane
ME238810
12409
C08384
-
-
Octadecane
Octadecane
ME238805
11635
-
-
-
Oleamide
Oleamide
ME238783
5283387
C19670
-
-
Ornithine
Ornithine
ME238756
6262
C00077
-
-
Oxalic acid
Oxalic acid
ME238723
971
C00209
-
-
Paliperidone
Paliperidone
ME238795
115237
-
-
-
Palmitelaidic acid
Palmitelaidic acid
ME238730
5282745
-
-
-
Palmitic acid
Palmitic acid
ME238681
985
C00249
-
-
Pelargonic acid
Pelargonic acid
ME238703
8158
C01601
-
-
Pentadecanoic acid
Pentadecylic acid
ME238701
13849
C16537
-
-
Phenylacetic acid
Phenylacetic acid
ME238679
999
C07086
-
-
Phenylglyoxylic acid
Phenylglyoxylic acid
ME238778
11915
C02137
-
-
Phosphoric acid
Phosphoric acid
ME238719
1004
C00009
-
-
Phthalic acid
Phthalic acid
ME238718
1017
C01606
-
-
Pipecolic acid
Pipecolic acid
ME238668
849
C00408
-
-
Prenol
3-Methyl-2-buten-1-ol
ME238734
11173
C01390
-
-
Propal
Propanal
ME238727
527
C00479
-
-
Propionic acid
Propionic acid
ME238682
1032
C00163
-
-
Propylthiouracil
Propylthiouracil
ME238792
657298
C07569
-
-
Pseudouridine
Pseudouridine
ME238697
15047
C02067
-
-
Purine
Purine
ME238712
1044
C15587
-
-
Putrescine
Putrescine
ME238714
1045
C00134
-
-
Pyridoxine
Pyridoxine
ME238683
1054
C00314
-
-
Pyroglutamic acid
Pyroglutamic acid
ME238761
7405
C01879
-
-
Pyrrolidonecarboxylic acid
Pyroglutamic acid
ME238699
499
C02237
-
-
Ribonic acid
Ribonic acid
ME238704
5460677
C01685
-
-
Salicylic acid
Salicylic acid
ME238781
338
C00805
-
-
Sarcosine
Sarcosine
ME238762
1088
C00213
-
-
Stearic acid
Stearic acid
ME238702
5281
C01530
-
-
Succinic acid
Succinic acid
ME238759
1110
C00042
-
-
Sucrose
Sucrose
ME238760
5988
C00089
-
-
Taurine
Taurine
ME238758
1123
C00245
-
-
Terephthalic acid
Terephthalic acid
ME238724
7489
C06337
-
-
Tetradecal
Myristaldehyde
ME238808
31291
-
-
-
Tetradecanol
Tetradecanol
ME238788
8209
-
-
-
Tridecane
Tridecane
ME238809
12388
C13834
-
-
Trimethylamine
Trimethylamine
ME238706
1146
C00565
-
-
Trimethyl sulfonium
Trimethyl sulfonium
ME238789
1147
C01008
-
-
Undecane
Undecane
ME238802
14257
-
-
-
Urea
Urea
ME238684
1176
C00086
-
-
Uridine
Uridine
ME238764
6029
C00299
-
-
Analysis: GC Orbitrap POSITIVE ION MODE/Orbitrap
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-Nonene
1-Nonene
ME238882
31285
C08452
-
-
1-phthylamine
1-Naphthylamine
ME238889
-
C14790
-
-
2-Methylpropal
2-Methylpropanal
ME238881
6561
C03219
-
-
3,3-Dimethylhexane
3,3-Dimethylhexane
ME238883
11233
-
-
-
3-Hexenedioic acid
3-Hexenedioic acid
ME238832
5351896
-
-
-
3-Methyl-2-oxovaleric acid
3-Methyl-2-oxovaleric acid
ME238850
47
C03465
-
-
4-Methoxyphenylacetic acid
4-Methoxyphenylacetic acid
ME238859
7690
-
-
-
6-Undecanone
6-Undecanone
ME238880
13561
-
-
-
Aminoadipic acid
Aminoadipic acid
ME238851
469
C00956
-
-
Aspartame
Aspartame
ME238857
134601
C11045
-
-
Atazavir
Atazanavir
ME238876
148192
-
-
-
Atorvastatin
Atorvastatin
ME238862
60823
C06834
-
-
Benzoic acid
Benzoic acid
ME238842
243
C00180
-
-
Caffeine
Caffeine
ME238856
2519
C07481
-
-
Capecitabine
Capecitabine
ME238877
60953
C12650
-
-
Cholesterol
Cholesterol
ME238813
11025495
C00187
-
-
Citric acid
Citric acid
ME238815
311
C00158
-
-
D
Aspartic acid
ME238852
5893
C00003
-
-
Daruvir
Darunavir
ME238879
213039
-
-
-
Decal
Capraldehyde
ME238865
8175
C12307
-
-
Dexamethasone
Dexamethasone
ME238878
5743
C15643
-
-
D-Glucose
Glucose
ME238816
5793
C00031
-
-
Diaminopimelic acid
Diaminopimelic acid
ME238853
439283
C00666
-
-
Diazinon
Diazinon
ME238885
3017
C14324
-
-
D-Mannose
Mannose
ME238821
18950
C00159
-
-
Elaidic acid
Elaidic acid
ME238834
445639
C00712
-
-
Epinephrine
Epinephrine
ME238814
5816
C00788
-
-
Erythromycin
Erythromycin
ME238868
12560
C01912
-
-
Etodolac
Etodolac
ME238874
3308
C06991
-
-
fcillin
Nafcillin
ME238872
8982
C07250
-
-
Gamma-terpinene
gamma-Terpinene
ME238864
7461
C09900
-
-
Gamma-Tocopherol
gamma-Tocopherol
ME238841
14986
-
-
-
Glyceraldehyde
Glyceraldehyde
ME238840
751
C02154
-
-
Heptadecanoic acid
Margaric acid
ME238843
10465
-
-
-
Hippuric acid
Hippuric acid
ME238836
464
C01586
-
-
Hypoxanthine
Hypoxanthine
ME238818
790
C00262
-
-
Irbesartan
Irbesartan
ME238875
3749
C07469
-
-
Isomaltose
Isomaltose
ME238845
439193
C00252
-
-
Isopropylbenzene
Isopropylbenzene
ME238887
7406
C14396
-
-
L-Acetylcarnitine
CAR 2:0
ME238849
1
C02571
-
-
L-Alanine
Alanine
ME238819
5950
C00041
-
-
L-Arginine
Arginine
ME238833
6322
C00062
-
-
L-Aspartic acid
Aspartic acid
ME238825
5960
C00049
-
-
L-Cystine
Cystine
ME238826
67678
C00491
-
-
L-Glutamic acid
Glutamic acid
ME238817
33032
C00025
-
-
L-Lactic acid
Lactic acid
ME238824
107689
C00186
-
-
L-Leucine
Leucine
ME238835
6106
C00123
-
-
L-Lysine
Lysine
ME238822
5962
C00047
-
-
L-Norleucine
Norleucine
ME238855
21236
C01933
-
-
L-Proline
Proline
ME238820
145742
C00148
-
-
L-Serine
Serine
ME238823
5951
C00065
-
-
L-Tryptophan
Tryptophan
ME238839
6305
C00078
-
-
L-Valine
Valine
ME238838
6287
C00183
-
-
Melibiose
Melibiose
ME238848
440658
C05402
-
-
Methyl benzoate
Methyl benzoate
ME238886
7150
-
-
-
myo-Inositol
Myo-inositol
ME238827
-
C00137
-
-
Norspermidine
Norspermidine
ME238866
5942
C03375
-
-
Octane
Octane
ME238854
356
C01387
-
-
Oxacillin
Oxacillin
ME238873
6196
C07334
-
-
Oxalic acid
Oxalic acid
ME238844
971
C00209
-
-
Oxidized glutathione
Oxidized glutathione
ME238861
975
C00127
-
-
Pantoprazole
Pantoprazole
ME238863
4679
C11806
-
-
Phenylethylamine
Phenylethylamine
ME238846
1001
C05332
-
-
p-Menthan-4-ol
p-Menthan-4-ol
ME238888
574674
-
-
-
Prenol
3-Methyl-2-buten-1-ol
ME238847
11173
C01390
-
-
Pyroglutamic acid
Pyroglutamic acid
ME238830
7405
C01879
-
-
Ranitidine
Ranitidine
ME238858
3001055
D00673
-
-
Ritovir
Ritonavir
ME238871
392622
C07240
-
-
Stearic acid
Stearic acid
ME238837
5281
C01530
-
-
Sucrose
Sucrose
ME238829
5988
C00089
-
-
Sulpiride
Sulpiride
ME238870
5355
-
-
-
Taurine
Taurine
ME238828
1123
C00245
-
-
Thiamine monophosphate
Thiamine monophosphate
ME238860
3382778
C01081
-
-
Timolol
Timolol
ME238869
5478
C07141
-
-
Undecane
Undecane
ME238884
14257
-
-
-
Valsartan
Valsartan
ME238867
60846
-
-
-
Xanthine
Xanthine
ME238831
1188
C00385
-
-
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