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Return to study ST002212 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
N1,N8-Diacetylspermidine
N1,N8-Diacetylspermidine
ME536001
-
-
-
-
N-Acetylvaline
N-Acetylvaline
ME535962
-
-
-
-
Ophthalmate
Ophthalmic acid
ME535905
-
-
-
-
SDMA
Symmetric dimethylarginine
ME535924
-
-
-
-
SAM+
S-Adenosylmethionine
ME535889
-
C00019
-
-
SAH
S-Adenosylhomocysteine
ME535922
-
C00021
-
-
Glu
Glutamic acid
ME536008
-
C00025
-
-
Gly
Glycine
ME536004
-
C00037
-
-
Ala
Alanine
ME536000
-
C00041
-
-
Lys
Lysine
ME535885
-
C00047
-
-
Asp
Aspartic acid
ME536022
-
C00049
-
-
Arg
Arginine
ME535989
-
C00062
-
-
Gln
Glutamine
ME536007
-
C00064
-
-
Ser
Serine
ME535918
-
C00065
-
-
Met
Methionine
ME535887
-
C00073
-
-
Ornithine
Ornithine
ME535904
-
C00077
-
-
Trp
Tryptophan
ME535927
-
C00078
-
-
Phe
Phenylalanine
ME535906
-
C00079
-
-
Tyr
Tyrosine
ME535926
-
C00082
-
-
Urea
Urea
ME535938
-
C00086
-
-
Cys
Cysteine
ME535975
-
C00097
-
-
beta-Ala
beta-Alanine
ME535900
-
C00099
-
-
Uracil
Uracil
ME535937
-
C00106
-
-
Choline
Choline
ME535970
-
C00114
-
-
Leu
Leucine
ME535884
-
C00123
-
-
Putrescine(1,4-Butanediamine)
Putrescine
ME535963
-
C00134
-
-
His
Histidine
ME536018
-
C00135
-
-
N-Acetylglucosamine
N-Acetylglucosamine
ME535878
-
C00140
-
-
Adenine
Adenine
ME535967
-
C00147
-
-
Pro
Proline
ME535907
-
C00148
-
-
Asn
Asparagine
ME536011
-
C00152
-
-
5-Methylthioadenosine
5'-Methylthioadenosine
ME535996
-
C00170
-
-
Agmatine
Agmatine
ME535952
-
C00179
-
-
Val
Valine
ME535940
-
C00183
-
-
Thr
Threonine
ME535929
-
C00188
-
-
Adenosine
Adenosine
ME535978
-
C00212
-
-
Thymidine
Thymidine
ME535930
-
C00214
-
-
Guanine
Guanine
ME536005
-
C00242
-
-
Taurine
Taurine
ME535928
-
C00245
-
-
Pyridoxal
Pyridoxal
ME535908
-
C00250
-
-
Hypoxanthine
Hypoxanthine
ME536021
-
C00262
-
-
Homoserine
Homoserine
ME536019
-
C00263
-
-
Inosine
Inosine
ME536029
-
C00294
-
-
Uridine
Uridine
ME535939
-
C00299
-
-
Creatine
Creatine
ME535971
-
C00300
-
-
Canavanine
Canavanine
ME535984
-
C00308
-
-
Pyridoxine
Pyridoxine
ME535912
-
C00314
-
-
Spermidine
Spermidine
ME535919
-
C00315
-
-
Carnitine
Carnitine
ME535981
-
C00318
-
-
Citrulline
Citrulline
ME535974
-
C00327
-
-
Kynurenine
Kynurenine
ME535883
-
C00328
-
-
2'-Deoxyguanosine
Deoxyguanosine
ME535994
-
C00330
-
-
GABA
gamma-Aminobutyric acid
ME535956
-
C00334
-
-
DOPA
DOPA
ME535986
-
C00355
-
-
Thiamine
Thiamine
ME535935
-
C00378
-
-
Cytosine
Cytosine
ME535979
-
C00380
-
-
Xanthine
Xanthine
ME535941
-
C00385
-
-
Carnosine
Carnosine
ME535973
-
C00386
-
-
Guanosine
Guanosine
ME536006
-
C00387
-
-
Histamine
Histamine
ME536026
-
C00388
-
-
Tryptamine
Tryptamine
ME535932
-
C00398
-
-
Ile
Isoleucine
ME536030
-
C00407
-
-
Pipecolate
Pipecolic acid
ME535910
-
C00408
-
-
Dihydrouracil
Dihydrouracil
ME535987
-
C00429
-
-
5-Aminolevulinate
5-Amino-levulinic acid
ME535946
-
C00430
-
-
5-Aminovalerate
5-Aminopentanoic acid
ME535955
-
C00431
-
-
N-Acetylornithine
N-Acetylornithine
ME535933
-
C00437
-
-
Cytidine
Cytidine
ME535972
-
C00475
-
-
Cystine
Cystine
ME535983
-
C00491
-
-
Pyridoxamine
Pyridoxamine
ME535917
-
C00534
-
-
Noradrenaline
Xi-Norepinephrine
ME535901
-
C00547
-
-
p-Aminobenzoate
p-Aminobenzoic acid
ME535943
-
C00568
-
-
Betaine aldehyde
Betaine aldehyde
ME535966
-
C00576
-
-
Guanidinoacetate
Guanidoacetic acid
ME536009
-
C00581
-
-
Phosphorylcholine
Choline phosphate
ME535914
-
C00588
-
-
3-Hydroxyanthranilate
3-Hydroxyanthranilic acid
ME536025
-
C00632
-
-
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME535916
-
C00647
-
-
Betaine
Betaine
ME535968
-
C00719
-
-
Tropine
Pseudotropine
ME535931
-
C00729
-
-
Spermine
Spermine
ME535920
-
C00750
-
-
Serotonin
Serotonin
ME535921
-
C00780
-
-
Creatinine
Creatinine
ME535980
-
C00791
-
-
Histidinol
L-Histidinol
ME536028
-
C00860
-
-
alpha-Aminoadipate
Aminoadipic acid
ME535953
-
C00956
-
-
O-Acetylserine
O-Acetylserine
ME535911
-
C00979
-
-
1,3-Diaminopropane
1,3-Diaminopropane
ME535990
-
C00986
-
-
Ala-Ala
Ala-Ala
ME535958
-
C00993
-
-
Hydroxyproline
Hydroxyproline
ME536020
-
C01015
-
-
6-Hydroxynicotinate
6-Hydroxynicotinic acid
ME536023
-
C01020
-
-
N,N-Dimethylglycine
Dimethylglycine
ME535991
-
C01026
-
-
gamma-Guanidinobutyrate
4-Guanidinobutanoic acid
ME536010
-
C01035
-
-
N-Methylglutamate
N-Methyl-glutamic acid
ME535897
-
C01046
-
-
Thiamine monophosphate
Thiamine monophosphate
ME535936
-
C01081
-
-
3-Methylhistidine
3-Methylhistidine
ME535898
-
C01152
-
-
gamma-Butyrobetaine
3-Dehydroxycarnitine
ME535985
-
C01181
-
-
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME535944
-
C01234
-
-
Glu-Glu
Glu-Glu
ME536013
-
C01425
-
-
Allantoin
Allantoin
ME535942
-
C01551
-
-
N-alpha-Benzenolarginine ethylester
Bz-Arg-OEt
ME535965
-
C01670
-
-
Cadaverine
Cadaverine
ME535977
-
C01672
-
-
Purine riboside
Nebularine
ME535915
-
C01736
-
-
Benzamidine
Benzamidine
ME535964
-
C01784
-
-
5-Oxoproline
Pyroglutamic acid
ME535913
-
C01879
-
-
2-Aminophenol
2-Aminophenol
ME535954
-
C01987
-
-
Acetylcholine
Acetylcholine
ME535947
-
C01996
-
-
Gly-Gly
Gly-Gly
ME536012
-
C02037
-
-
Gly-Leu
Gly-Leu
ME536015
-
C02155
-
-
3-Methylguanine
3-Methylguanine
ME535893
-
C02230
-
-
7-Methylguanine
7-Methylguanine
ME535894
-
C02242
-
-
Castanospermine
Castanospermine
ME535982
-
C02256
-
-
Cystathionine
Cystathionine
ME535976
-
C02291
-
-
2AB
2S-Aminobutyric acid
ME535950
-
C02356
-
-
5-Methylcytosine
5-Methylcytosine
ME535892
-
C02376
-
-
1-Methyladenosine
1-Methyladenosine
ME535895
-
C02494
-
-
o-Acetylcarnitine
CAR 2:0
ME535957
-
C02571
-
-
2-Deoxystreptamine
2-Deoxystreptamine
ME535995
-
C02627
-
-
Isoamylamine
3-Methyl-1-butylamine
ME535880
-
C02640
-
-
Indole-3-acetamide
1H-Indole-3-acetamide
ME535879
-
C02693
-
-
N-Acetylputrescine
N-Acetylputrescine
ME535945
-
C02714
-
-
N-Methylalanine
N-Methylalanine
ME535891
-
C02721
-
-
N-epsilon-Acetyllysine
N6-Acetyllysine
ME535959
-
C02727
-
-
Isobutylamine
-
ME535882
-
C02787
-
-
Imidazole-4-acetate
Imidazoleacetic acid
ME536032
-
C02835
-
-
Tetrahydropalmatine
Tetrahydropalmatine
ME535934
-
C02890
-
-
1-Methylnicotinamide
1-Methyl nicotinamide
ME535896
-
C02918
-
-
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME535999
-
C02953
-
-
N-Acetylhistidine
N-Acetylhistidine
ME535949
-
C02997
-
-
Guanidinosuccinate
Guanidinosuccinic acid
ME536016
-
C03139
-
-
S-Methylmethionine
S-Methylmethionine
ME535899
-
C03172
-
-
2,4-Diaminobutyrate
2,4-Diaminobutyric acid
ME535992
-
C03283
-
-
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME536002
-
C03413
-
-
S-Lactoylglutathione
S-Lactoylglutathione
ME535886
-
C03451
-
-
ADMA
Dimethylarginine
ME535960
-
C03626
-
-
Glucosaminate
Glucosaminic acid
ME536014
-
C03752
-
-
Dopamine
Dopamine
ME535993
-
C03758
-
-
N6,N6,N6-Trimethyllysine
N-6-Trimethyllysine
ME535903
-
C03793
-
-
4-Methyl-5-thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME535888
-
C04294
-
-
Synephrine
Synephrine
ME535923
-
C04548
-
-
1-Methylhistamine
1-Methylhistamine
ME535890
-
C05127
-
-
4-(beta-Acetylaminoethyl)imidazole
N-Acetylhistamine
ME535951
-
C05135
-
-
3-Aminoisobutyrate
3-Aminoisobutanoic acid
ME535961
-
C05145
-
-
5'-Deoxyadenosine
5'-Deoxyadenosine
ME535998
-
C05198
-
-
Phenethylamine
Phenylethylamine
ME535909
-
C05332
-
-
2'-Deoxyinosine
Deoxyinosine
ME535997
-
C05512
-
-
4-Hydroxymethylimidazole
Imidazole-4-methanol
ME536024
-
C05562
-
-
beta-Imidazolelactate
Imidazolelactic acid
ME535881
-
C05568
-
-
Isopropanolamine
Isopropanolamine
ME536031
-
C05771
-
-
Ectoine
Ectoine
ME536003
-
C06231
-
-
Nornicotine
Nornicotine
ME535902
-
C06524
-
-
Diethanolamine
Diethanolamine
ME535988
-
C06772
-
-
Alliin
Alliin
ME535948
-
C08265
-
-
Betonicine
Betonicine
ME535969
-
C08269
-
-
Proline betaine
Proline betaine
ME535925
-
C10172
-
-
2-Guanidinobenzimidazole
2-Guanidinobenzimidazole
ME536017
-
C10898
-
-
5-Hydroxylysine
5-Hydroxylysine
ME536027
-
C16741
-
-
Analysis: CE NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Hydroxyoctanoate
2-Hydroxyoctanoic acid
ME536090
-
-
-
-
2-Hydroxypentanoate
2-Hydroxyvaleric acid
ME536091
-
-
-
-
3-Indoxyl sulfate
Indoxyl sulfate
ME536101
-
-
-
-
UDP
UDP
ME536037
-
C00015
-
-
AMP
AMP
ME536063
-
C00020
-
-
Pyruvate
Pyruvic acid
ME536113
-
C00022
-
-
Acetyl CoA
Acetyl-CoA
ME536052
-
C00024
-
-
2-Oxoglutarate
2-Oxoglutaric acid
ME536111
-
C00026
-
-
UDP-glucose
UDP-glucose
ME536034
-
C00029
-
-
Succinate
Succinic acid
ME536124
-
C00042
-
-
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME536036
-
C00043
-
-
CMP
CMP
ME536056
-
C00055
-
-
Glycerophosphate
sn-Glycero-3-phosphate
ME536082
-
C00093
-
-
UMP
UMP
ME536038
-
C00105
-
-
DHAP
Dihydroxyacetone phosphate
ME536067
-
C00111
-
-
IMP
IMP
ME536097
-
C00130
-
-
2-Oxoisopentanoate
Ketoisovaleric acid
ME536106
-
C00141
-
-
Glycolate
Glycolic acid
ME536079
-
C00160
-
-
Propionate
Propionic acid
ME536112
-
C00163
-
-
UDP-glucuronate
UDP-glucuronic acid
ME536035
-
C00167
-
-
Lactate
Lactic acid
ME536103
-
C00186
-
-
4-Methyl-2-oxopentanoate
Ketoleucine
ME536107
-
C00233
-
-
Butyrate
Butyric acid
ME536055
-
C00246
-
-
Nicotinate
Nicotinic acid
ME536110
-
C00253
-
-
Glycerate
Glyceric acid
ME536081
-
C00258
-
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME536083
-
C00270
-
-
ADP-ribose
ADP-ribose
ME536044
-
C00301
-
-
2-Oxoadipate
Oxoadipic acid
ME536102
-
C00322
-
-
Dihydroorotate
4,5-Dihydroorotic acid
ME536068
-
C00337
-
-
Ethanolamine phosphate
Phosphoethanolamine
ME536075
-
C00346
-
-
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME536080
-
C00352
-
-
F1,6P
Fructose 1,6-bisphosphate
ME536076
-
C00354
-
-
N-Acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME536050
-
C00357
-
-
dTDP
dTDP
ME536130
-
C00363
-
-
dTMP
dTMP
ME536131
-
C00364
-
-
Urate
Uric acid
ME536041
-
C00366
-
-
Malonate
Malonic acid
ME536108
-
C00383
-
-
cis-Aconitate
cis-Aconitic acid
ME536094
-
C00417
-
-
trans-Cinnamate
trans-Cinnamic acid
ME536057
-
C00423
-
-
Sinapate
Sinapic acid
ME536127
-
C00482
-
-
Glutarate
Glutaric acid
ME536084
-
C00489
-
-
Itaconate
Itaconic acid
ME536098
-
C00490
-
-
Allantoate
Allantoic acid
ME536048
-
C00499
-
-
Cysteate
Cysteic acid
ME536058
-
C00506
-
-
N-Acetylglutamate
N-Acetylglutamic acid
ME536105
-
C00624
-
-
2,5-Dihydroxybenzoate
Gentisic acid
ME536069
-
C00628
-
-
Isobutyryl CoA
Isobutyryl-CoA
ME536099
-
C00630
-
-
Prostaglandin F2alpha
PGF2alpha
ME536119
-
C00639
-
-
p-Hydroxyphenylacetate
4-Hydroxyphenylacetic acid
ME536086
-
C00642
-
-
2-Deoxyribose 1-phosphate
Deoxyribose 1-phosphate
ME536066
-
C00672
-
-
Trehalose 6-phosphate
Trehalose 6-phosphate
ME536135
-
C00689
-
-
Cholate
Cholic acid
ME536062
-
C00695
-
-
Malate
Malic acid
ME536104
-
C00711
-
-
o-Hydroxybenzoate
Salicylic acid
ME536087
-
C00805
-
-
4-Pyridoxate
4-Pyridoxic acid
ME536121
-
C00847
-
-
Pantothenate
Pantothenic acid
ME536114
-
C00864
-
-
Tartrate
Tartaric acid
ME536133
-
C00898
-
-
O-Phosphoserine
Phosphoserine
ME536117
-
C01005
-
-
N-Acetylaspartate
N-Acetylaspartic acid
ME536049
-
C01042
-
-
N-Formylaspartate
N-Formyl-aspartic acid
ME536078
-
C01044
-
-
N-Acetyl-beta-alanine
N-Acetyl-beta-alanine
ME536047
-
C01073
-
-
3-Hydroxybutyrate
3-Hydroxybutyric acid
ME536088
-
C01089
-
-
Sorbitol 6-phosphate
Pseudouridine
ME536128
-
C01096
-
-
P1, P4-Di(adenosine-5') tetraphosphate
-
ME536073
-
C01260
-
-
2-Furoate
2-Furoic acid
ME536077
-
C01546
-
-
Decanoate
Capric acid
ME536071
-
C01571
-
-
Hexanoate
Caproic acid
ME536059
-
C01585
-
-
Hippurate
Hippuric acid
ME536093
-
C01586
-
-
Pelargonate
Pelargonic acid
ME536120
-
C01601
-
-
Phthalate
Phthalic acid
ME536122
-
C01606
-
-
3-(4-Hydroxyphenyl)propionate
Desaminotyrosine
ME536095
-
C01744
-
-
Crotonate
Crotonic acid
ME536064
-
C01771
-
-
Glycocholate
Glycocholic acid
ME536085
-
C01921
-
-
Citraconate
Citraconic acid
ME536060
-
C02226
-
-
Digalacturonate
Digalacturonic acid
ME536072
-
C02273
-
-
trans-Aconitate
trans-Aconitic acid
ME536045
-
C02341
-
-
Xanthurenate
Xanthurenic acid
ME536042
-
C02470
-
-
3-Ureidopropionate
Ureidopropionic acid
ME536039
-
C02642
-
-
Pimelate
Pimelic acid
ME536118
-
C02656
-
-
Dodecanedioate
Dodecanedioic acid
ME536070
-
C02678
-
-
N-Acetylleucine
N-Acetylleucine
ME536051
-
C02710
-
-
2-Hydroxy-4-methylpentanoate
D-Leucic acid
ME536096
-
C03264
-
-
N-Acetylphenylalanine
N-Acetylphenylalanine
ME536033
-
C03519
-
-
2-Aminoethylphosphonate
Ciliatine
ME536116
-
C03557
-
-
DCA
Deoxycholic acid
ME536074
-
C04483
-
-
N-Acetylglucosamine 1-phosphate
N-Acetylglucosamine 1-phosphate
ME536046
-
C04501
-
-
Taurocholate
Taurocholic acid
ME536134
-
C05122
-
-
Isethionate
2-Hydroxyethanesulfonate
ME536100
-
C05123
-
-
S7P
Sedoheptulose 7-phosphate
ME536129
-
C05382
-
-
Phenaceturate
Phenylacetylglycine
ME536115
-
C05598
-
-
3-Phenylpropionate
Hydrocinnamic acid
ME536123
-
C05629
-
-
Cysteine S-sulfate
Cysteine-S-sulfate
ME536065
-
C05824
-
-
6-Hydroxyhexanoate
6-Hydroxycaproic acid
ME536092
-
C06103
-
-
Adipate
Adipic acid
ME536043
-
C06104
-
-
Terephthalate
Terephthalic acid
ME536136
-
C06337
-
-
Octanoate
Caprylic acid
ME536061
-
C06423
-
-
3-Acetylacrylate
-
ME536053
-
C07091
-
-
Azelate
Azelaic acid
ME536126
-
C08261
-
-
Sebacate
Sebacic acid
ME536125
-
C08277
-
-
Tiglate
Tiglic acid
ME536132
-
C08279
-
-
Benzylsuccinate
(R)-2-Benzylsuccinic acid
ME536054
-
C09816
-
-
Methanesulfonate
Methanesulfonic acid
ME536109
-
C11145
-
-
Heptanoate
Heptylic acid
ME536089
-
C17714
-
-
Undecanoate
Undecylic acid
ME536040
-
C17715
-
-
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