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Return to study ST000570 main page
Analysis: CE POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
NAD+
NAD+
ME168900
-
C00003
-
-
NADP+
NADP+
ME168901
-
C00006
-
-
ADP
ADP
ME168855
-
C00008
-
-
UDP
UDP
ME168928
-
C00015
-
-
AMP
AMP
ME168856
-
C00020
-
-
Pyruvate
Pyruvic acid
ME168915
-
C00022
-
-
Acetyl CoA
Acetyl-CoA
ME168853
-
C00024
-
-
2-Oxoglutarate
2-Oxoglutaric acid
ME168944
-
C00026
-
-
Succinate
Succinic acid
ME168922
-
C00042
-
-
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME168930
-
C00043
-
-
CMP
CMP
ME168865
-
C00055
-
-
F6P
Fructose 6-phosphate
ME168871
-
C00085
-
-
G6P
Glucose 6-phosphate
ME168874
-
C00092
-
-
Glycerophosphate
sn-Glycero-3-phosphate
ME168880
-
C00093
-
-
G1P
Glucose 1-phosphate
ME168873
-
C00103
-
-
UMP
UMP
ME168931
-
C00105
-
-
Fumarate
Fumaric acid
ME168872
-
C00122
-
-
IMP
IMP
ME168884
-
C00130
-
-
2-Oxoisopentanoate
Ketoisovaleric acid
ME168945
-
C00141
-
-
p-Hydroxybenzoate
4-Hydroxybenzoic acid
ME168911
-
C00156
-
-
Citrate
Citric acid
ME168864
-
C00158
-
-
Glycolate
Glycolic acid
ME168881
-
C00160
-
-
Propionate
Propionic acid
ME168914
-
C00163
-
-
Phenylpyruvate
Phenylpyruvic acid
ME168909
-
C00166
-
-
UDP-glucuronate
UDP-glucuronic acid
ME168929
-
C00167
-
-
Lactate
Lactic acid
ME168889
-
C00186
-
-
Glucuronate
Glucuronic acid
ME168877
-
C00191
-
-
3PG
3-Phosphoglyceric acid
ME168953
-
C00197
-
-
Ru5P
Ribulose 5-phosphate
ME168917
-
C00199
-
-
4-Methyl-2-oxopentanoate
Ketoleucine
ME168959
-
C00233
-
-
Butanoate
Butyric acid
ME168858
-
C00246
-
-
Nicotinate
Nicotinic acid
ME168904
-
C00253
-
-
Gluconate
Gluconic acid
ME168875
-
C00257
-
-
Glycerate
Glyceric acid
ME168879
-
C00258
-
-
Orotate
Orotic acid
ME168907
-
C00295
-
-
Quinate
Quinic acid
ME168916
-
C00296
-
-
Isocitrate
Isocitric acid
ME168887
-
C00311
-
-
2-Oxoadipate
Oxoadipic acid
ME168943
-
C00322
-
-
Dihydroorotate
4,5-Dihydroorotic acid
ME168868
-
C00337
-
-
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME168876
-
C00352
-
-
N-Acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME168898
-
C00357
-
-
dTMP
dTMP
ME168870
-
C00364
-
-
Urate
Uric acid
ME168932
-
C00366
-
-
Malonate
Malonic acid
ME168891
-
C00383
-
-
cis-Aconitate
cis-Aconitic acid
ME168861
-
C00417
-
-
Carbamoylaspartate
Carbamoylaspartate
ME168859
-
C00438
-
-
Glutarate
Glutaric acid
ME168878
-
C00489
-
-
Itaconate
Itaconic acid
ME168888
-
C00490
-
-
Shikimate
Shikimic acid
ME168921
-
C00493
-
-
Cysteate
Cysteic acid
ME168866
-
C00506
-
-
N-Acetylglutamate
N-Acetylglutamic acid
ME168899
-
C00624
-
-
2,5-Dihydroxybenzoate
Gentisic acid
ME168935
-
C00628
-
-
Isobutyryl CoA
Isobutyryl-CoA
ME168886
-
C00630
-
-
p-Hydroxyphenylacetate
4-Hydroxyphenylacetic acid
ME168912
-
C00642
-
-
XMP
XMP
ME168933
-
C00655
-
-
Cholate
Cholic acid
ME168860
-
C00695
-
-
Malate
Malic acid
ME168890
-
C00711
-
-
Pentanoate
Valeric acid
ME168908
-
C00803
-
-
Saccharate
Glucaric acid
ME168919
-
C00818
-
-
Mucate
Galactaric acid
ME168894
-
C00879
-
-
O-Phosphoserine
Phosphoserine
ME168906
-
C01005
-
-
3-Hydroxypropionate
Hydroxypropionic acid
ME168950
-
C01013
-
-
N-Acetylaspartate
N-Acetylaspartic acid
ME168895
-
C01042
-
-
N-Formylaspartate
N-Formyl-aspartic acid
ME168903
-
C01044
-
-
N-Acetyl-beta-alanine
N-Acetyl-beta-alanine
ME168896
-
C01073
-
-
3-Hydroxybutyrate
3-Hydroxybutyric acid
ME168949
-
C01089
-
-
4-Methylthio-2-oxobutyrate
2-Oxo-4-methylthiobutanoic acid
ME168960
-
C01180
-
-
3-(2-Hydroxyphenyl)propionate
3-(2-Hydroxyphenyl)propanoic acid
ME168946
-
C01198
-
-
trans-4-Hydroxy-3-methoxycinnamate
trans-Ferulic acid
ME168926
-
C01494
-
-
Hippurate
Hippuric acid
ME168882
-
C01586
-
-
Phthalate
Phthalic acid
ME168910
-
C01606
-
-
Threonate
Threonic acid
ME168925
-
C01620
-
-
3-(4-Hydroxyphenyl)propionate
Desaminotyrosine
ME168947
-
C01744
-
-
5-Oxoproline
Pyroglutamic acid
ME168962
-
C01879
-
-
4-Acetylbutyrate
5-Ketocaproic acid
ME168957
-
C02129
-
-
Citraconate
Citraconic acid
ME168862
-
C02226
-
-
trans-Aconitate
trans-Aconitic acid
ME168927
-
C02341
-
-
2-Isopropylmalate
2-Isopropylmalic acid
ME168942
-
C02504
-
-
Citramalate
Citramalic acid
ME168863
-
C02614
-
-
2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME168938
-
C02630
-
-
3-Ureidopropionate
Ureidopropionic acid
ME168956
-
C02642
-
-
Pimelate
Pimelic acid
ME168913
-
C02656
-
-
Dodecanedioate
Dodecanedioic acid
ME168869
-
C02678
-
-
Methyl sulfate
Methyl sulfate
ME168893
-
C02704
-
-
2,3-Pyridinedicarboxylate
Quinolinic acid
ME168934
-
C03722
-
-
3-Hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME168948
-
C03761
-
-
N-Acetylglucosamine 1-phosphate
N-Acetyl-D-glucosamine 1-phosphate
ME168897
-
C04501
-
-
Taurocholate
Taurocholic acid
ME168923
-
C05122
-
-
Isethionate
2-Hydroxyethanesulfonate
ME168885
-
C05123
-
-
S7P
Sedoheptulose 7-phosphate
ME168918
-
C05382
-
-
Homovanillate
Homovanillic acid
ME168883
-
C05582
-
-
3-Phenyllactate
Phenyllactic acid
ME168954
-
C05607
-
-
3-Phenylpropionate
Hydrocinnamic acid
ME168955
-
C05629
-
-
Cysteine S-sulfate
Cysteine-S-sulfate
ME168867
-
C05824
-
-
N-Carbamylglutamate
Carglumic acid
ME168902
-
C05829
-
-
2-Hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME168941
-
C05852
-
-
2-Hydroxybutyrate
2-Hydroxybutyric acid
ME168937
-
C05984
-
-
Adipate
Adipic acid
ME168854
-
C06104
-
-
Terephthalate
Terephthalic acid
ME168924
-
C06337
-
-
2-Deoxyglucose 6-phosphate
2-Deoxy-D-glucose 6-phosphate
ME168936
-
C06369
-
-
o-Hydroxyhippurate
Salicyluric acid
ME168905
-
C07588
-
-
Azelate
Azelaic acid
ME168857
-
C08261
-
-
3-Methylbutanoate
Isovaleric acid
ME168952
-
C08262
-
-
Sebacate
Sebacic acid
ME168920
-
C08277
-
-
Methanesulfonate
Methanesulfonic acid
ME168892
-
C11145
-
-
4-Hydroxymandelate
4-Hydroxymandelic acid
ME168958
-
C11527
-
-
2-Hydroxyisobutyrate
2-Hydroxyisobutyric acid
ME168939
-
-
-
-
2-Hydroxypentanoate
2-Hydroxyvaleric acid
ME168940
-
-
-
-
3-Indoxyl sulfate
Indoxyl sulfate
ME168951
-
-
-
-
4-Oxopentanoate
Levulinic acid
ME168961
-
-
-
-
Analysis: CE NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
SAM+
S-Adenosylmethionine
ME169083
-
C00019
-
-
SAH
S-Adenosylhomocysteine
ME169082
-
C00021
-
-
Glu
Glutamic acid
ME169006
-
C00025
-
-
Gly
Glycine
ME169011
-
C00037
-
-
Ala
Alanine
ME168968
-
C00041
-
-
Lys
Lysine
ME169037
-
C00047
-
-
Asp
Aspartic acid
ME168978
-
C00049
-
-
Arg
Arginine
ME168975
-
C00062
-
-
Gln
Glutamine
ME169005
-
C00064
-
-
Ser
Serine
ME169086
-
C00065
-
-
Met
Methionine
ME169040
-
C00073
-
-
Ornithine
Ornithine
ME169064
-
C00077
-
-
Trp
Tryptophan
ME169100
-
C00078
-
-
Phe
Phenylalanine
ME169067
-
C00079
-
-
Tyr
Tyrosine
ME169102
-
C00082
-
-
Cys
Cysteine
ME168992
-
C00097
-
-
beta-Ala
beta-Alanine
ME168979
-
C00099
-
-
Uracil
Uracil
ME169104
-
C00106
-
-
Anthranilate
2-Aminobenzoic acid
ME168974
-
C00108
-
-
Choline
Choline
ME168987
-
C00114
-
-
Leu
Leucine
ME169036
-
C00123
-
-
Glutathione(ox)
Oxidized glutathione
ME169010
-
C00127
-
-
Putrescine(1,4-Butanediamine)
Putrescine
ME169075
-
C00134
-
-
His
Histidine
ME169019
-
C00135
-
-
N-Acetylglucosamine
N-Acetyl-D-glucosamine
ME169050
-
C00140
-
-
Adenine
Adenine
ME168964
-
C00147
-
-
Pro
Proline
ME169071
-
C00148
-
-
Asn
Asparagine
ME168977
-
C00152
-
-
Nicotinamide
Niacinamide
ME169058
-
C00153
-
-
5-Methylthioadenosine
5'-Methylthioadenosine
ME169136
-
C00170
-
-
Thymine
Thymine
ME169095
-
C00178
-
-
Agmatine
Agmatine
ME168967
-
C00179
-
-
Val
Valine
ME169107
-
C00183
-
-
Thr
Threonine
ME169093
-
C00188
-
-
Adenosine
Adenosine
ME168965
-
C00212
-
-
Sarcosine
Sarcosine
ME169084
-
C00213
-
-
Thymidine
Thymidine
ME169094
-
C00214
-
-
Guanine
Guanine
ME169017
-
C00242
-
-
Taurine
Taurine
ME169090
-
C00245
-
-
Pyridoxal
Pyridoxal
ME169076
-
C00250
-
-
Riboflavin
Riboflavin
ME169080
-
C00255
-
-
Hypoxanthine
Hypoxanthine
ME169026
-
C00262
-
-
Homoserine
Homoserine
ME169023
-
C00263
-
-
Inosine
Inosine
ME169032
-
C00294
-
-
Uridine
Uridine
ME169105
-
C00299
-
-
Creatine
Creatine
ME168989
-
C00300
-
-
Pyridoxine
Pyridoxine
ME169079
-
C00314
-
-
Spermidine
Spermidine
ME169088
-
C00315
-
-
Carnitine
Carnitine
ME168985
-
C00318
-
-
Citrulline
Citrulline
ME168988
-
C00327
-
-
Kynurenine
Kynurenine
ME169035
-
C00328
-
-
Glucosamine
Glucosamine
ME169008
-
C00329
-
-
2'-Deoxyguanosine
Deoxyguanosine
ME169121
-
C00330
-
-
GABA
gamma-Aminobutyric acid
ME169002
-
C00334
-
-
DOPA
DOPA
ME168999
-
C00355
-
-
Thiamine
Thiamine
ME169091
-
C00378
-
-
Cytosine
Cytosine
ME168997
-
C00380
-
-
Xanthine
Xanthine
ME169108
-
C00385
-
-
Carnosine
Carnosine
ME168986
-
C00386
-
-
Guanosine
Guanosine
ME169018
-
C00387
-
-
Histamine
Histamine
ME169020
-
C00388
-
-
Tryptamine
Tryptamine
ME169101
-
C00398
-
-
Ile
Isoleucine
ME169027
-
C00407
-
-
Pipecolate
Pipecolic acid
ME169070
-
C00408
-
-
5-Aminolevulinate
5-Amino-levulinic acid
ME169130
-
C00430
-
-
5-Aminovalerate
5-Aminopentanoic acid
ME169131
-
C00431
-
-
N-Acetylornithine
N-Acetylornithine
ME169053
-
C00437
-
-
Saccharopine
Saccharopine
ME169081
-
C00449
-
-
Cytidine
Cytidine
ME168996
-
C00475
-
-
Tyramine
Tyramine
ME169103
-
C00483
-
-
Cystine
Cystine
ME168995
-
C00491
-
-
Hypotaurine
Hypotaurine
ME169025
-
C00519
-
-
Pyridoxamine
Pyridoxamine
ME169077
-
C00534
-
-
Noradrenaline
Xi-Norepinephrine
ME169060
-
C00547
-
-
p-Aminobenzoate
p-Aminobenzoic acid
ME169066
-
C00568
-
-
Cyclohexylamine
Cyclohexylamine
ME168991
-
C00571
-
-
Betaine aldehyde
Betaine aldehyde
ME168982
-
C00576
-
-
Guanidinoacetate
Guanidoacetic acid
ME169015
-
C00581
-
-
Phosphorylcholine
Choline phosphate
ME169069
-
C00588
-
-
N1-Acetylspermidine
N1-Acetylspermidine
ME169046
-
C00612
-
-
Indole-3-acetaldehyde
Indoleacetaldehyde
ME169029
-
C00637
-
-
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME169078
-
C00647
-
-
Glycerophosphorylcholine
sn-Glycero-3-phosphocholine
ME169012
-
C00670
-
-
Pterin
Pterin
ME169074
-
C00715
-
-
Betaine
Betaine
ME168981
-
C00719
-
-
Spermine
Spermine
ME169089
-
C00750
-
-
Serotonin
Serotonin
ME169087
-
C00780
-
-
Tropinone
Tropinone
ME169099
-
C00783
-
-
Urocanate
Urocanic acid
ME169106
-
C00785
-
-
Creatinine
Creatinine
ME168990
-
C00791
-
-
Histidinol
L-Histidinol
ME169021
-
C00860
-
-
2'-Deoxycytidine
Deoxycytidine
ME169120
-
C00881
-
-
Indole-3-acetate
Indoleacetic acid
ME169031
-
C00954
-
-
alpha-Aminoadipate
Aminoadipic acid
ME168971
-
C00956
-
-
O-Acetylserine
O-Acetylserine
ME169062
-
C00979
-
-
1,3-Diaminopropane
1,3-Diaminopropane
ME169115
-
C00986
-
-
Ala-Ala
Ala-Ala
ME168969
-
C00993
-
-
Trigonelline
Trigonelline
ME169097
-
C01004
-
-
Hydroxyproline
Hydroxyproline
ME169024
-
C01015
-
-
6-Hydroxynicotinate
6-Hydroxynicotinic acid
ME169137
-
C01020
-
-
N,N-Dimethylglycine
Dimethylglycine
ME169043
-
C01026
-
-
N8-Acetylspermidine
N8-Acetylspermidine
ME169049
-
C01029
-
-
gamma-Guanidinobutyrate
4-Guanidinobutanoic acid
ME169004
-
C01035
-
-
Thiamine monophosphate
Thiamine monophosphate
ME169092
-
C01081
-
-
Trimethylamine N-oxide
Trimethylamine N-oxide
ME169098
-
C01104
-
-
o-Succinylhomoserine
o-Succinylhomoserine
ME169065
-
C01118
-
-
3-Methylhistidine
3-Methylhistidine
ME169127
-
C01152
-
-
gamma-Butyrobetaine
3-Dehydroxycarnitine
ME169003
-
C01181
-
-
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME169111
-
C01234
-
-
N-Acetylglucosylamine
N-Acetyl-beta-glucosaminylamine
ME169051
-
C01239
-
-
Anserine
Anserine
ME168973
-
C01262
-
-
Glu-Glu
Glu-Glu
ME169009
-
C01425
-
-
Allantoin
Allantoin
ME168970
-
C01551
-
-
Cadaverine
Cadaverine
ME168984
-
C01672
-
-
Xanthosine
Xanthosine
ME169109
-
C01762
-
-
Homocystine
Homocystine
ME169022
-
C01817
-
-
2-Aminophenol
2-Aminophenol
ME169119
-
C01987
-
-
Acetylcholine
Acetylcholine
ME168963
-
C01996
-
-
Gly-Gly
Gly-Gly
ME169013
-
C02037
-
-
Alpha-Methylserine
Alpha-Methylserine
ME168972
-
C02115
-
-
Gly-Leu
Gly-Leu
ME169014
-
C02155
-
-
3-Methylguanine
3-Methylguanine
ME169126
-
C02230
-
-
7-Methylguanine
7-Methylguanine
ME169138
-
C02242
-
-
Cystathionine
Cystathionine
ME168993
-
C02291
-
-
Methylguanidine
Methylguanidine
ME169042
-
C02294
-
-
2AB
2S-Aminobutyric acid
ME169118
-
C02356
-
-
5-Methylcytosine
5-Methylcytosine
ME169135
-
C02376
-
-
1-Methyladenosine
1-Methyladenosine
ME169112
-
C02494
-
-
N1-Acetylspermine
N1-Acetylspermine
ME169047
-
C02567
-
-
o-Acetylcarnitine
CAR 2:0
ME169061
-
C02571
-
-
Isoamylamine
3-Methyl-1-butylamine
ME169033
-
C02640
-
-
Indole-3-acetamide
1H-Indole-3-acetamide
ME169030
-
C02693
-
-
N-Acetylputrescine
N-Acetylputrescine
ME169054
-
C02714
-
-
N-Methylalanine
N-Methylalanine
ME169059
-
C02721
-
-
N-epsilon-Acetyllysine
N6-Acetyllysine
ME169057
-
C02727
-
-
Imidazole-4-acetate
Imidazoleacetic acid
ME169028
-
C02835
-
-
1-Methylnicotinamide
1-Methyl nicotinamide
ME169114
-
C02918
-
-
Methionine sulfoxide
Methionine sulfoxide
ME169041
-
C02989
-
-
N-Acetylhistidine
N-Acetylhistidine
ME169052
-
C02997
-
-
Guanidinosuccinate
Guanidinosuccinic acid
ME169016
-
C03139
-
-
2,4-Diaminobutyrate
2,4-Diaminobutyric acid
ME169117
-
C03283
-
-
Argininosuccinate
Argininosuccinic acid
ME168976
-
C03406
-
-
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME169044
-
C03413
-
-
Mannosamine
2-Amino-2-deoxy-D-mannose
ME169038
-
C03570
-
-
5-Methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME169134
-
C03592
-
-
ADMA
Dimethylarginine
ME168966
-
C03626
-
-
Glucosaminate
Glucosaminic acid
ME169007
-
C03752
-
-
Dopamine
Dopamine
ME169000
-
C03758
-
-
N6,N6,N6-Trimethyllysine
N-6-Trimethyllysine
ME169048
-
C03793
-
-
TRH
Thyrotropin releasing hormone
ME169096
-
C03958
-
-
1-Amino-1-cyclopentanecarboxylate
1-Azaniumylcyclopentane-1-carboxylate
ME169110
-
C03969
-
-
N-alpha,N-alpha-Dimethylhistidine
N,N-Dimethylhistidine
ME169056
-
C04259
-
-
1-Methylhistamine
1-Methylhistamine
ME169113
-
C05127
-
-
4-(beta-Acetylaminoethyl)imidazole
N-Acetylhistamine
ME169128
-
C05135
-
-
3-Aminoisobutyrate
3-Aminoisobutanoic acid
ME169123
-
C05145
-
-
Phenethylamine
Phenylethylamine
ME169068
-
C05332
-
-
2'-Deoxyinosine
Deoxyinosine
ME169122
-
C05512
-
-
4-Hydroxymethylimidazole
Imidazole-4-methanol
ME169129
-
C05562
-
-
beta-Imidazolelactate
Imidazolelactic acid
ME168980
-
C05568
-
-
3-Methoxytyramine
3-Methoxytyramine
ME169125
-
C05587
-
-
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME169132
-
C05635
-
-
Isopropanolamine
Isopropanolamine
ME169034
-
C05771
-
-
3-Aminopropane-1,2-diol
(S)-3-Amino-1,2-propanediol
ME169124
-
C06057
-
-
Ectoine
Ectoine
ME169001
-
C06231
-
-
2,3-Diaminopropionate
2,3-Diaminopropionic acid
ME169116
-
C06393
-
-
Diethanolamine
Diethanolamine
ME168998
-
C06772
-
-
Betonicine
Betonicine
ME168983
-
C08269
-
-
Melamine
Melamine
ME169039
-
C08737
-
-
Proline betaine
Proline betaine
ME169072
-
C10172
-
-
Pseudopelletierine
psi-Pelletierine
ME169073
-
C10865
-
-
5-Hydroxylysine
5-Hydroxylysine
ME169133
-
C16741
-
-
Cysteine-glutathione disulphide -Divalent
-
ME168994
-
-
-
-
N1,N8-Diacetylspermidine
N1,N8-Diacetylspermidine
ME169045
-
-
-
-
N-Acetylvaline
N-Acetylvaline
ME169055
-
-
-
-
Ophthalmate
Ophthalmic acid
ME169063
-
-
-
-
SDMA
Symmetric dimethylarginine
ME169085
-
-
-
-
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