Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
Structure drawing
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
Return to study ST002869 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Phenylbutazone
-
ME746055
-
-
1.03
-
Dimethylarginine
Dimethylarginine
ME745990
-
-
10.863
-
3-hydroxykynurenine
Hydroxykynurenine
ME745929
-
-
1.102
-
Indole-3-pyruvic acid
Indolepyruvate
ME746023
-
-
12.162
-
N,N-Dicyclohexylurea
-
ME746037
-
-
1.239
-
4-Pyridoxic acid
4-Pyridoxic acid
ME745935
-
-
1.288
-
Ornithine
Ornithine
ME746052
-
-
13
-
Melatonin
Melatonin
ME746032
-
-
1.307
-
Arginine
Arginine
ME745965
-
-
13.2
-
Lysine
Lysine
ME746031
-
-
13.2
-
Cysteine
Cysteine
ME745981
-
-
13.454
-
3-hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME745928
-
-
13.765
-
3-Indolepropionic acid
3-Indolepropionic acid
ME745930
-
-
1.4
-
Anthranilic acid
2-Aminobenzoic acid
ME745964
-
-
1.4
-
Caffeine
Caffeine
ME745972
-
-
1.447
-
Folinic acid
N5-Formyl-THF
ME745997
-
-
1.464
-
Tetracaine
Tetracaine
ME746072
-
-
1.534
-
2-Pyrrolidinone
2-Pyrrolidinone
ME745926
-
-
1.62
-
Phosphocreatine
Phosphocreatine
ME746056
-
-
1.674
-
Dihydroxyacetone
Dihydroxyacetone
ME745989
-
-
1.734
-
Nicotinamide
Niacinamide
ME746047
-
-
1.746
-
Imidazole
Imidazole
ME746019
-
-
1.826
-
N-Acetylethanolamine
-
ME746040
-
-
1.915
-
Xanthurenic acid
Xanthurenic acid
ME746086
-
-
2
-
Allopurinol
Allopurinol
ME745960
-
-
2.07
-
Pyridoxine
Pyridoxine
ME746062
-
-
2.1
-
2-Deoxyuridine
Deoxyuridine
ME745924
-
-
2.289
-
Decanoylcarnitine
CAR 10:0
ME745987
-
-
2.332
-
Kynurenic acid
Kynurenic acid
ME746028
-
-
2.338
-
Hippuric acid
Hippuric acid
ME746011
-
-
2.499
-
Propranolol
-
ME746060
-
-
2.516
-
2-Phenylglycinol
-
ME745925
-
-
2.549
-
Acetylcysteine
N-Acetylcysteine
ME745947
-
-
2.555
-
2-Deoxyadenosine
Deoxyadenosine
ME745921
-
-
2.585
-
Adenine
Adenine
ME745952
-
-
2.755
-
Isovalerylglycine
Isovalerylglycine
ME746027
-
-
2.889
-
Hypoxanthine
Hypoxanthine
ME746018
-
-
2.938
-
Uridine
Uridine
ME746081
-
-
2.95
-
Creatinine
Creatinine
ME745979
-
-
2.988
-
Adenosine
Adenosine
ME745953
-
-
3.018
-
Xanthine
Xanthine
ME746084
-
-
3.415
-
Tryptamine
Tryptamine
ME746075
-
-
3.433
-
Acetylcholine
Acetylcholine
ME745945
-
-
3.439
-
Cytosine
Cytosine
ME745984
-
-
3.445
-
2-Deoxycytidine
Deoxycytidine
ME745922
-
-
3.591
-
Inosine
Inosine
ME746024
-
-
3.794
-
Nicotinic acid
Nicotinic acid
ME746048
-
-
3.887
-
5-Methylcytidine
5-Methylcytidine
ME745938
-
-
3.932
-
Biotin
Biotin
ME745970
-
-
3.955
-
Metanephrine
L-Metanephrine
ME746033
-
-
3.959
-
2-deoxyguanosine
Deoxyguanosine
ME745923
-
-
4
-
Guanine
Guanine
ME746008
-
-
4.009
-
Dopamine
Dopamine
ME745992
-
-
4.015
-
6-Methyl-DL-Tryptophan
-
ME745940
-
-
4.071
-
Pantothenic acid
Pantothenic acid
ME746053
-
-
4.071
-
HIAA
-
ME746010
-
-
4.144
-
Amiloride
Amiloride
ME745961
-
-
4.192
-
Cytidine
Cytidine
ME745983
-
-
4.229
-
Nicotinuric acid
Nicotinuric acid
ME746049
-
-
4.234
-
Serotonin
Serotonin
ME746068
-
-
4.326
-
Acetylglycine
N-Acetylglycine
ME745949
-
-
4.335
-
6-Hydroxynicotinic acid
6-Hydroxynicotinic acid
ME745939
-
-
4.337
-
Phenylalanine
Phenylalanine
ME746054
-
-
4.373
-
N-Acetyl-D-galactosamine
N-Acetylgalactosamine
ME746038
-
-
4.387
-
Tryptophan
Tryptophan
ME746076
-
-
4.437
-
Urocanic acid
Urocanic acid
ME746082
-
-
4.444
-
Indole-3-lactic acid
Indole-3-lactic acid
ME746022
-
-
4.453
-
Normetanephrine
Normetanephrine
ME746050
-
-
4.462
-
L-Alloisoleucine/Leucine/Norleucine
-
ME746030
-
-
4.468
-
Kynurenine
Kynurenine
ME746029
-
-
4.483
-
Acetylglucosamine
-
ME745948
-
-
4.505
-
N-Acetyl-D-Glucosamine
N-Acetylglucosamine
ME746039
-
-
4.542
-
Guanosine
Guanosine
ME746009
-
-
4.616
-
cGMP
3',5' cyclic GMP
ME745975
-
-
4.63
-
Acetyl-L-glutamine
-
ME745950
-
-
4.651
-
Pyroglutamic acid
Pyroglutamic acid
ME746063
-
-
4.675
-
Isoleucine
Isoleucine
ME746026
-
-
4.697
-
Urate
Uric acid
ME746080
-
-
4.768
-
Betaine
Betaine
ME745969
-
-
4.791
-
3-Nitrotyrosine
Nitrotyrosine
ME745931
-
-
4.801
-
Xanthosine
Xanthosine
ME746085
-
-
4.844
-
Methylhistamine
Methylhistamine
ME746036
-
-
4.879
-
Methionine
Methionine
ME746034
-
-
4.923
-
Norvaline
Norvaline
ME746051
-
-
5.019
-
Acetamide
Acetamide
ME745942
-
-
5.05
-
4-Aminophenol
4-Aminophenol
ME745933
-
-
5.184
-
Taurine
Taurine
ME746071
-
-
5.223
-
Valine
Valine
ME746083
-
-
5.224
-
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME745937
-
-
5.236
-
Quinolinic acid
Quinolinic acid
ME746064
-
-
5.263
-
Tyrosine
Tyrosine
ME746077
-
-
5.284
-
2/3-Aminoisobutyric acid/Dimethylglycine
-
ME745918
-
-
5.295
-
Picolinic acid
Picolinic acid
ME746057
-
-
5.315
-
Epinephrine
Epinephrine
ME745995
-
-
5.366
-
Acetylcarnitine
CAR 2:0
ME745944
-
-
5.374
-
Indole
Indole
ME746020
-
-
5.385
-
Pipecolinic acid
Pipecolic acid
ME746058
-
-
5.405
-
Proline
Proline
ME746059
-
-
5.408
-
4-Imidazoleacetic acid
Imidazoleacetic acid
ME745934
-
-
5.497
-
Neopterin
Neopterin
ME746046
-
-
5.621
-
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME746000
-
-
5.7
-
NADH
NADH
ME746043
-
-
5.7
-
2-Aminobutyric acid
2-Aminobutyric acid
ME745920
-
-
5.706
-
Methylguanidine
Methylguanidine
ME746035
-
-
5.73
-
DOPA
DOPA
ME745991
-
-
5.838
-
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME746041
-
-
5.871
-
3-Aminobutyric acid
3-Aminobutyric acid
ME745927
-
-
5.934
-
Acetyl-CoA
Acetyl-CoA
ME745946
-
-
6
-
ADP ribose
ADP-ribose
ME745957
-
-
6.02
-
dTMP
dTMP
ME745993
-
-
6.033
-
Hydroxyproline
Hydroxyproline
ME746017
-
-
6.113
-
Putrescine
Putrescine
ME746061
-
-
6.118
-
Alanine
Alanine
ME745959
-
-
6.14
-
Sarcosine
Sarcosine
ME746066
-
-
6.184
-
TMAO
Trimethylamine N-oxide
ME746074
-
-
6.187
-
Indole-3-acetic acid
Indoleacetic acid
ME746021
-
-
6.193
-
Choline
Choline
ME745976
-
-
6.2
-
Creatine
Creatine
ME745978
-
-
6.204
-
UDP-GlcNAc
UDP-N-acetylglucosamine
ME746078
-
-
6.21
-
Acetohydroxamic acid
Acetohydroxamic acid
ME745943
-
-
6.215
-
5-Aminolevulinic acid
5-Amino-levulinic acid
ME745936
-
-
6.232
-
Carnitine
Carnitine
ME745973
-
-
6.337
-
Homoserine/Threonine
-
ME746015
-
-
6.343
-
Threonine
Threonine
ME746073
-
-
6.343
-
Glycocyamine
Guanidoacetic acid
ME746006
-
-
6.344
-
13C5-15N-Glutamic acid
-
ME745941
-
-
6.362
-
Glutamic acid
Glutamic acid
ME746001
-
-
6.39
-
Aspartate
Aspartic acid
ME745967
-
-
6.471
-
Spermidine
Spermidine
ME746070
-
-
6.499
-
NADPH
NADPH
ME746045
-
-
6.5
-
Cadaverine
Cadaverine
ME745971
-
-
6.506
-
1-Methyladenosine
1-Methyladenosine
ME745916
-
-
6.511
-
AMP
AMP
ME745963
-
-
6.544
-
4-Aminobutyric acid
4-Aminopentanoic acid
ME745932
-
-
6.596
-
Glycine
Glycine
ME746005
-
-
6.598
-
Glutamine
Glutamine
ME746002
-
-
6.673
-
Glycylproline
Gly-Pro
ME746007
-
-
6.701
-
Acetylornithine
N-Acetylornithine
ME745951
-
-
6.769
-
Dihydrofolic acid
Dihydrofolic acid
ME745988
-
-
6.783
-
Glucosamine
Glucosamine
ME745999
-
-
6.791
-
Folic acid
Folic acid
ME745996
-
-
6.806
-
Asparagine
Asparagine
ME745966
-
-
6.813
-
Amino valerate
-
ME745962
-
-
6.822
-
Glutathione reduced
Glutathione
ME746004
-
-
6.823
-
Serine
Serine
ME746067
-
-
6.824
-
2-Aminoadipic acid
alpha-Aminoadipic acid
ME745919
-
-
6.839
-
Adenosyl-L-homocysteine
-
ME745954
-
-
6.875
-
ADP
ADP
ME745956
-
-
6.9
-
DCDP
dCDP
ME745985
-
-
6.922
-
1-Methylhistidine
1-Methylhistidine
ME745917
-
-
6.93
-
SAICAR
SAICAR
ME746065
-
-
6.947
-
Siacar
-
ME746069
-
-
6.947
-
Hydroxybutyryl coenzyme A
-
ME746016
-
-
6.954
-
NAD
NAD
ME746042
-
-
6.987
-
dUTP
dUTP
ME745994
-
-
7
-
Isobutyryl-CoA
Isobutyryl-CoA
ME746025
-
-
7
-
Citrulline
Citrulline
ME745977
-
-
7.02
-
Agmatine
Agmatine
ME745958
-
-
7.19
-
GDP
GDP
ME745998
-
-
7.255
-
ATP
ATP
ME745968
-
-
7.3
-
NADP
NADP
ME746044
-
-
7.43
-
DCTP
dCTP
ME745986
-
-
7.5
-
Carnosine
Carnosine
ME745974
-
-
7.655
-
Cystine
Cystine
ME745982
-
-
7.98
-
Glutathione oxidized
Glutathione
ME746003
-
-
7.99
-
Histamine
Histamine
ME746012
-
-
8
-
Adenylosuccinate
Adenylsuccinic acid
ME745955
-
-
8.036
-
Homocysteine
Homocysteine
ME746014
-
-
8.604
-
Uracil
Uracil
ME746079
-
-
8.707
-
Histidine
Histidine
ME746013
-
-
9
-
Cystamine
Cystamine
ME745980
-
-
9.759
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
pregnenolone sulfate
Pregnenolone sulfate
ME746195
-
-
1.017
-
2,3-Dihydroxybenzoic acid
2-Pyrocatechuic acid
ME746087
-
-
1.027
-
meso-Tartaric acid
Meso-tartaric acid
ME746173
-
-
11
-
Tartaric acid
Tartaric acid
ME746210
-
-
11
-
Thymol
Thymol
ME746211
-
-
11.1
-
Nonadecanoic acid
Nonadecylic acid
ME746184
-
-
1.12
-
Stearic acid
Stearic acid
ME746206
-
-
1.137
-
Heptadecanoic acid
Margaric acid
ME746155
-
-
1.154
-
9-Octadecynoic acid
-
ME746111
-
-
1.188
-
Myristic acid
Myristic acid
ME746181
-
-
1.189
-
Palmitic acid
Palmitic acid
ME746186
-
-
1.189
-
Pentadecanoic acid
Pentadecylic acid
ME746188
-
-
1.189
-
2-Hydroxybenzoic acid
Salicylic acid
ME746090
-
-
1.215
-
Lauric acid
Lauric acid
ME746166
-
-
1.224
-
Capric acid
Capric acid
ME746122
-
-
1.261
-
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
ME746106
-
-
1.273
-
Phenylpyruvic acid
Phenylpyruvic acid
ME746193
-
-
1.279
-
2-Hydroxyphenylacetic acid/3-Hydroxyphenylacetic a...
-
ME746092
-
-
1.28
-
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME746103
-
-
1.301
-
Phenylglyoxylic acid
Phenylglyoxylic acid
ME746192
-
-
1.315
-
Caprylic acid
Caprylic acid
ME746123
-
-
1.35
-
3-Methyl-2-oxovaleric acid
3-Methyl-2-oxovaleric acid
ME746098
-
-
1.351
-
Naproxen
Naproxen
ME746183
-
-
1.358
-
4-Methyl-2-oxopentanoic acid/Ketoleucine/Ketoisole...
-
ME746108
-
-
1.368
-
6-Phosphogluconic acid
6-Phosphogluconic acid
ME746110
-
-
13.882
-
Gentisic acid
Gentisic acid
ME746145
-
-
1.415
-
alpha-Ketoisovaleric acid/Maleic acid
-
ME746117
-
-
1.455
-
PGE2
PGE2
ME746190
-
-
1.474
-
Benzoic acid
Benzoic acid
ME746121
-
-
1.487
-
Citraconic acid
Citraconic acid
ME746124
-
-
1.487
-
2-Ketobutyric acid
3-Methyl pyruvic acid
ME746093
-
-
1.49
-
Myoinositol
Myo-inositol
ME746180
-
-
1.497
-
3-Phenyllactic acid
Phenyllactic acid
ME746100
-
-
1.499
-
4-Methoxyphenylacetic acid
4-Methoxyphenylacetic acid
ME746107
-
-
1.499
-
m-Coumaric acid
trans-m-Coumaric acid
ME746172
-
-
1.499
-
p-Tolylacetic acid/4-Ethylbenzoic acid
-
ME746197
-
-
1.501
-
Phenylacetic acid
Phenylacetic acid
ME746191
-
-
1.503
-
4-Methylvaleric acid/Hexanoic acid
-
ME746109
-
-
1.505
-
Ferulic acid
trans-Ferulic acid
ME746137
-
-
1.512
-
Gibberellic acid
Gibberellin A3
ME746146
-
-
1.559
-
2-Methylbutyric acid/Valeric acid
-
ME746094
-
-
1.693
-
Protocatechuic acid
Protocatechuic acid
ME746196
-
-
1.731
-
2-Furoic acid
2-Furoic acid
ME746088
-
-
1.76
-
p-Coumaric acid
cis-p-Coumaric acid
ME746187
-
-
1.849
-
4-Hydroxyphenylacetic acid/Mandelic acid
-
ME746105
-
-
1.907
-
4-Hydroxy-3-methylbenzoic acid
-
ME746102
-
-
1.923
-
Isobutyric acid
Isobutyric acid
ME746158
-
-
1.948
-
Leucic acid
Leucinic acid
ME746167
-
-
1.994
-
Vanillic acid
Vanillic acid
ME746214
-
-
2
-
Vitamin D3
Vitamin D3
ME746215
-
-
2
-
Methyl succinate
Methylsuccinic acid
ME746175
-
-
2.011
-
Fumarate
Fumaric acid
ME746139
-
-
2.13
-
belta-Hydroxyisovaleric acid
-
ME746120
-
-
2.132
-
Acetoacetate
Acetoacetic acid
ME746113
-
-
2.194
-
Homovanillic acid
Homovanillic acid
ME746157
-
-
2.268
-
4-Hydroxybenzoic acid
4-Hydroxybenzoic acid
ME746104
-
-
2.316
-
Phthalic acid
Phthalic acid
ME746194
-
-
2.38
-
L-Ascorbic acid
Vitamin C
ME746165
-
-
3.027
-
Methyl-D-mannopyranoside
-
ME746176
-
-
3.044
-
Levulinic acid
Levulinic acid
ME746168
-
-
3.25
-
Ethylmalonic acid
Ethylmalonic acid
ME746134
-
-
3.282
-
Sebacic acid
Sebacic acid
ME746202
-
-
3.612
-
N-Acetylmuramic Acid
N-Acetylmuramic acid
ME746182
-
-
3.895
-
Azelaic acid
Azelaic acid
ME746119
-
-
4.02
-
Lactate
Lactic acid
ME746163
-
-
4.1
-
Adonitol
Ribitol
ME746116
-
-
4.149
-
3-hydroxybutyric acid
3-Hydroxybutyric acid
ME746097
-
-
4.264
-
malonic acid
Malonic acid
ME746170
-
-
4.306
-
Methyl alpha-D-glucopyranoside
-
ME746174
-
-
4.32
-
Xylose
Xylose
ME746218
-
-
4.32
-
13C3-Lactate
Lactic acid
ME746112
-
-
4.325
-
L-(-)-Arabitol
L-Arabitol
ME746161
-
-
4.335
-
Xylitol
Xylitol
ME746217
-
-
4.39
-
Ribose
Ribose
ME746201
-
-
4.4
-
Erythrose
Erythrose
ME746133
-
-
4.519
-
Methylmalonic acid
Methylmalonic acid
ME746177
-
-
4.622
-
Fructose/Galactose
-
ME746138
-
-
4.716
-
Glutaconic acid
Glutaconic acid
ME746150
-
-
4.774
-
Succinate
Succinic acid
ME746208
-
-
4.83
-
Glyceric acid
Glyceric acid
ME746152
-
-
4.843
-
alpha-KG
-
ME746118
-
-
4.99
-
Suberic acid
Suberic acid
ME746207
-
-
5.004
-
Glyoxylic acid
Glyoxylic acid
ME746154
-
-
5.031
-
X5P
-
ME746216
-
-
5.2
-
D-Mannitol
Mannitol
ME746128
-
-
5.213
-
D-Xylonic Acid (Lithium Salt)
Xylonic acid
ME746132
-
-
5.218
-
Sorbitol
Sorbitol
ME746204
-
-
5.223
-
Dulcitol
Galactitol
ME746130
-
-
5.294
-
Glycolic acid
Glycolic acid
ME746153
-
-
5.35
-
Mannose
Mannose
ME746171
-
-
5.35
-
Glucose
Glucose
ME746148
-
-
5.41
-
Pyruvate
Pyruvic acid
ME746198
-
-
5.45
-
3-Methyladipic acid
3-Methyladipic acid
ME746099
-
-
5.464
-
2HG
2-Hydroxyglutaric acid
ME746089
-
-
5.49
-
2-Methylglutaric acid
2-Methylglutaric acid
ME746095
-
-
5.5
-
Muconic acid
3-Hexenedioic acid
ME746179
-
-
5.684
-
Homogentisic acid
Homogentisic acid
ME746156
-
-
5.765
-
Shikimic acid
Shikimic acid
ME746203
-
-
5.801
-
2-hydroxybutyric acid/Malonic acid
-
ME746091
-
-
5.87
-
GA3P
-
ME746142
-
-
5.87
-
Malate
Malic acid
ME746169
-
-
5.87
-
Adipic acid
Adipic acid
ME746115
-
-
6.025
-
L-(+)-Arabinose
Lyxose
ME746162
-
-
6.034
-
3-Hexenedioic acid
3-Hexenedioic acid
ME746096
-
-
6.042
-
PEP
Phosphoenolpyruvic acid
ME746189
-
-
6.06
-
Isovaleric acid
Isovaleric acid
ME746160
-
-
6.064
-
UDP
UDP
ME746213
-
-
6.11
-
Glutaric acid
Glutaric acid
ME746151
-
-
6.179
-
Aconitic acid
cis-Aconitic acid
ME746114
-
-
6.191
-
IsoCitrate
Isocitric acid
ME746159
-
-
6.4
-
Sucrose
Sucrose
ME746209
-
-
6.474
-
Glucuronic acid
Glucuronic acid
ME746149
-
-
6.493
-
D-Galacturonic acid
Galacturonic acid
ME746127
-
-
6.662
-
Oxaloacetic acid
Oxaloacetic acid
ME746185
-
-
6.772
-
3-Phosphoglyceric acid
3-Phosphoglyceric acid
ME746101
-
-
6.796
-
Galactonic acid
Galactonic acid
ME746144
-
-
6.831
-
D-(+)-Cellobiose
Cellobiose
ME746126
-
-
6.869
-
F6P/G6P
Hexose 6-phosphate
ME746135
-
-
6.87
-
G1P
Glucose 1-phosphate
ME746140
-
-
6.898
-
Gluconic acid
Gluconic acid
ME746147
-
-
6.9
-
R5P
Ribose 5-phosphate
ME746199
-
-
6.9
-
Citrate
Citric acid
ME746125
-
-
7
-
Trehalose
Trehalose
ME746212
-
-
7.014
-
Lactose
Lactose
ME746164
-
-
7.065
-
Mucic acid
Galactaric acid
ME746178
-
-
7.078
-
D-Mannose 6-Phosphate (disodium salt hydrate)
-
ME746129
-
-
7.17
-
DUMP
dUMP
ME746131
-
-
7.235
-
Raffinose
Raffinose
ME746200
-
-
7.912
-
G16BP
-
ME746141
-
-
8
-
F16BP
-
ME746136
-
-
8.3
-
Galactinol Dihydrate
Galactinol
ME746143
-
-
8.318
-
StachyoseHydrate (from Stachyse Tuberifera)
-
ME746205
-
-
8.96
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel