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 ST001973 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME455800
79034
C08317
-
-
1-Aminocyclopropanecarboxylic acid
1-Aminocyclopropanecarboxylic acid
ME455764
535
C01234
-
-
1-Methyladenosine
1-Methyladenosine
ME455755
27476
C02494
-
-
2-acetomido-deoxy-glucosylamine
-
ME455765
-
NA
-
-
2-Aminophenol
2-Aminophenol
ME455721
-
C01987
-
-
2-deoxy-d-glucose
2-Deoxy-glucose
ME455766
-
NA
-
-
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME455723
86
C00632
-
-
3-Methoxytyramine
3-Methoxytyramine
ME455724
1669
C05587
-
-
3-Methylhistamine
3-Methylhistamine
ME455677
-
C15526
-
-
3-Methylhistidine
3-Methylhistidine
ME455769
64969
C01152
-
-
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME455679
500
C01035
-
-
4-Hydroxy-L-proline
cis-4-Hydroxyproline
ME455771
69248
C01015
-
-
4-hydroxy-phenylglycine
4-Hydroxyphenylglycine
ME455770
-
NA
-
-
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
ME455722
979
C01179
-
-
4-Trimethylammoniobutanoic acid
3-Dehydroxycarnitine
ME455752
134
C05543
-
-
5-amino-5-hydroxybenzoic acid
-
ME455768
-
NA
-
-
5-Aminolevulinic acid
5-Amino-levulinic acid
ME455773
137
C00430
-
-
5-Aminopentanoic acid
5-Aminopentanoic acid
ME455680
138
C00431
-
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME455726
1826
C05635
-
-
5-Methylcytosine
5-Methylcytosine
ME455774
65040
C02376
-
-
Adenine
Adenine
ME455727
190
C00147
-
-
Adenosine
Adenosine
ME455756
60961
C00212
-
-
adipic acid
Adipic acid
ME455776
-
NA
-
-
Allantoin
Allantoin
ME455712
204
C01551
-
-
Aminoadipic acid
Aminoadipic acid
ME455681
469
C00956
-
-
Beta-Alanine
beta-Alanine
ME455682
239
C00099
-
-
Betaine
Betaine
ME455683
247
C00719
-
-
Biotin
Biotin
ME455713
171548
C00120
-
-
Carnosine
Carnosine
ME455684
439224
C00386
-
-
Choline
Choline
ME455714
305
C00114
-
-
Ciliatine
Ciliatine
ME455710
339
C03557
-
-
Citrulline
Citrulline
ME455685
9750
C00327
-
-
Creatine
Creatine
ME455686
586
C00300
-
-
Creatinine
Creatinine
ME455715
588
C00791
-
-
Cysteic acid
Cysteic acid
ME455784
25701
C00506
-
-
Cytidine
Cytidine
ME455757
6175
C00475
-
-
Cytosine
Cytosine
ME455728
597
C00380
-
-
D-Galactosamine
Galactosamine
ME455761
739
C02262
-
-
Diaminopimelic acid
Diaminopimelic acid
ME455767
99290
C00666
-
-
Diethanolamine
Diethanolamine
ME455716
8113
C06772
-
-
Dihydrouracil
Dihydrouracil
ME455775
649
C00429
-
-
Epinephrine
Epinephrine
ME455729
5816
C00788
-
-
formyl-methionyl_peptide
-
ME455777
-
NA
-
-
Galactitol
Galactitol
ME455753
11850
C01697
-
-
Glucose 1-phosphate
Glucose 1-phosphate
ME455778
439165
C00103
-
-
Glyceraldehyde-3P-diethyl-acetal
-
ME455779
-
NA
-
-
Glycero-3-phosphocholine
sn-Glycero-3-phosphocholine
ME455780
-
NA
-
-
Glycerol-3-phosphate
sn-Glycero-3-phosphate
ME455781
-
NA
-
-
Glycine
Glycine
ME455687
750
C00037
-
-
Guanidoacetic acid
Guanidoacetic acid
ME455688
763
C00581
-
-
Guanine
Guanine
ME455730
764
C00242
-
-
Guanosine
Guanosine
ME455758
6802
C00387
-
-
Histamine
Histamine
ME455731
774
C00388
-
-
Homogentisic acid
Homogentisic acid
ME455732
780
C00544
-
-
Hydroxykynurenine
Hydroxykynurenine
ME455676
89
C02794
-
-
Hypoxanthine
Hypoxanthine
ME455733
790
C00262
-
-
Imidazoleacetic acid
Imidazoleacetic acid
ME455772
96215
C02835
-
-
Indole-3-methyl acetate
Indole-3-methyl acetate
ME455788
74706
NA
-
-
Indoleacetic acid
Indoleacetic acid
ME455782
802
C00954
-
-
Inosine
Inosine
ME455759
6021
C00294
-
-
Kynurenic acid
Kynurenic acid
ME455783
3845
C01717
-
-
L-Arabitol
L-Arabitol
ME455762
439255
C00532
-
-
L-Arginine
Arginine
ME455689
6322
C00062
-
-
L-Asparagine
Asparagine
ME455690
6267
C00152
-
-
L-Aspartic acid
Aspartic acid
ME455691
5960
C00049
-
-
L-Cystathionine
Cystathionine
ME455692
439258
C00542
-
-
L-Dihydroorotic acid
4,5-Dihydroorotic acid
ME455717
439216
C00337
-
-
L-Dopa
DOPA
ME455678
6047
C00355
-
-
Leukotriene B4 ethanolamide
LTB4 ethanol amide
ME455787
5283127
NA
-
-
L-Glutamic acid
Glutamic acid
ME455785
33032
C00025
-
-
L-Glutamine
Glutamine
ME455693
5961
C00064
-
-
L-Histidine
Histidine
ME455694
6274
C00135
-
-
L-Histidinol
L-Histidinol
ME455734
165271
C00860
-
-
L-Kynurenine
Kynurenine
ME455695
161166
C00328
-
-
L-Lysine
Lysine
ME455696
5962
C00047
-
-
L-Methionine
Methionine
ME455697
6137
C00073
-
-
L-Norvaline
2S-Aminopentanoic acid
ME455698
7019097
C01826
-
-
L-Phenylalanine
Phenylalanine
ME455700
6140
C00079
-
-
L-Pipecolic acid
Pipecolic acid
ME455786
439227
C00408
-
-
L-Proline
Proline
ME455701
145742
C00148
-
-
L-Serine
Serine
ME455702
5951
C00065
-
-
L-Threonine
Threonine
ME455703
6288
C00188
-
-
L-Tryptophan
Tryptophan
ME455704
6305
C00078
-
-
L-Tyrosine
Tyrosine
ME455705
6057
C00082
-
-
Lumichrome
Lumichrome
ME455735
5326566
C01727
-
-
L-Valine
Valine
ME455706
6287
C00183
-
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME455793
92832
C02727
-
-
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME455798
440120
C03793
-
-
N-Acetyl-4-O-acetylneuraminic acid
-
ME455789
440197
C04015
-
-
N-Acetylglutamic acid
N-Acetylglutamic acid
ME455792
185
C00624
-
-
N-Acetyl-L-alanine
N-Acetylalanine
ME455790
88064
NA
-
-
N-Acetyl-L-aspartic acid
N-Acetylaspartic acid
ME455791
65065
C01042
-
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME455794
74839
C03519
-
-
N-acetyl-l-tryptophan
N-Acetyl-tryptophan
ME455707
-
C03137
-
-
N-Acetylmannosamine
N-Acetyl-mannosamine
ME455763
11096158
C00645
-
-
N-Acetylputrescine
N-Acetylputrescine
ME455795
122356
C02714
-
-
N-Acetylserine
N-Acetylserine
ME455796
65249
NA
-
-
N-Formylglycine
N-Formylglycine
ME455708
75606
CA1268
-
-
Niacinamide
Niacinamide
ME455736
936
C00153
-
-
Nicotinic acid
Nicotinic acid
ME455737
938
C00253
-
-
N-Methyltryptamine
N-Methyltryptamine
ME455797
6088
C06213
-
-
Norepinephrine
Norepinephrine
ME455738
439260
C00547
-
-
Oleic acid
Oleic acid
ME455754
445639
C00712
-
-
Ornithine
Ornithine
ME455699
6262
C00077
-
-
Orotic acid
Orotic acid
ME455801
967
C00295
-
-
O-Succinyl-L-homoserine
o-Succinylhomoserine
ME455799
-
C01118
-
-
Pantothenic acid
Pantothenic acid
ME455802
6613
C00864
-
-
Phenylacetaldehyde
Phenylacetaldehyde
ME455739
998
C00601
-
-
Phosphorylcholine
Choline phosphate
ME455718
1014
C00588
-
-
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME455725
127
C00642
-
-
Purine
Purine
ME455740
1044
C15587
-
-
Putrescine
Putrescine
ME455719
1045
C00134
-
-
Pyridoxamine
Pyridoxamine
ME455741
1052
C00534
-
-
Pyridoxine
Pyridoxine
ME455742
1054
C00314
-
-
Pyrrole-2-carboxylic acid
Pyrrole-2-carboxylic acid
ME455709
12473
C05942
-
-
Riboflavin
Riboflavin
ME455743
493570
C00255
-
-
Serotonin
Serotonin
ME455803
5202
C00780
-
-
Spermidine
Spermidine
ME455720
1102
C00315
-
-
Theobromine
Theobromine
ME455744
5429
C07480
-
-
Thymine
Thymine
ME455745
1135
C00178
-
-
trans-Cinnamic acid
trans-Cinnamic acid
ME455746
444539
C00423
-
-
Trigonelline
Trigonelline
ME455747
5570
C01004
-
-
Uracil
Uracil
ME455748
1174
C00106
-
-
Ureidopropionic acid
Ureidopropionic acid
ME455711
111
C02642
-
-
Uric acid
Uric acid
ME455749
1175
C00366
-
-
Uridine
Uridine
ME455760
6029
C00299
-
-
Urocanic acid
Urocanic acid
ME455750
736715
C00785
-
-
Xanthine
Xanthine
ME455751
1188
C00385
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Deoxy-D-Glucose
2-Deoxy-glucose
ME455806
82756
C00586
-
-
2-Methyl-2-oxovaleric acid
-
ME455863
-
NA
-
-
2-Methyl-3-ketovaleric acid
2-Methyl-3-ketovaleric acid
ME455862
189028
NA
-
-
3-(2-Hydroxyphenyl)propanoic acid
3-(2-Hydroxyphenyl)propanoic acid
ME455808
873
C01198
-
-
3,4-Dihydroxymandelic acid
3,4-Dihydroxymandelic acid
ME455868
85782
C05580
-
-
3-Dehydroshikimate
3-Dehydroshikimate
ME455810
439774
C02637
-
-
3-Hydroxybenzoic acid
3-Hydroxybenzoic acid
ME455811
7420
C00587
-
-
3-Hydroxycapric acid
10-Hydroxydecanoic acid
ME455804
26612
C02774
-
-
3-Hydroxysuberic acid
3-Hydroxysuberic acid
ME455889
22328017
NA
-
-
3-Methyldioxyindole
3-Methyldioxyindole
ME455813
151066
C05834
-
-
3-Methylglutaric acid
Methylglutaric acid
ME455860
-
NA
-
-
3-Oxoadipic acid
-
ME455864
93
C00846
-
-
4-Hydroxy-L-proline
cis-4-Hydroxyproline
ME455861
69248
C01015
-
-
5-Hydroxymethyluracil
5-Hydroxymethyluracil
ME455815
78168
C03088
-
-
Acetylglycine
N-Acetylglycine
ME455882
10972
NA
-
-
Adenine
Adenine
ME455817
190
C00147
-
-
Allantoin
Allantoin
ME455818
204
C01551
-
-
Aminoadipic acid
Aminoadipic acid
ME455819
469
C00956
-
-
Azelaic acid
Azelaic acid
ME455865
-
NA
-
-
Caffeic acid
Caffeic acid
ME455824
1549111
C01481
-
-
Ciliatine
Ciliatine
ME455805
339
C03557
-
-
Citramalic acid
Citramalic acid
ME455826
441696
C00815
-
-
Citrulline
Citrulline
ME455827
9750
C00327
-
-
Cortisol 21 acetic acid
Cortisol 21-acetate
ME455866
-
NA
-
-
Cysteic acid
Cysteic acid
ME455877
25701
C00506
-
-
Cytidine 2',3'-cyclic phosphate
2',3' cyclic CMP
ME455867
53481030
C00127
-
-
D-Glucose
Glucose
ME455871
5793
C00221
-
-
D-Glucuronic acid
Glucuronic acid
ME455873
94715
C00191
-
-
Diaminopimelic acid
Diaminopimelic acid
ME455859
99290
C00666
-
-
D-Maltose
Maltose
ME455845
10991489
C00208
-
-
Fumaric acid
Fumaric acid
ME455830
444972
C00122
-
-
Gluconic acid
Gluconic acid
ME455870
10690
C00257
-
-
Glucose 6-phosphate
Glucose 6-phosphate
ME455872
5958
C00092
-
-
Glyceraldehyde 3P diethyl acetal
-
ME455874
-
NA
-
-
Glyceric acid
Glyceric acid
ME455831
439194
C00258
-
-
Guanine
Guanine
ME455832
764
C00242
-
-
Hippuric acid
Hippuric acid
ME455833
464
C01586
-
-
Homogentisic acid
Homogentisic acid
ME455835
780
C00544
-
-
Hydroxyphenyllactic acid
Hydroxyphenyllactic acid
ME455809
9378
C03672
-
-
Hypoxanthine
Hypoxanthine
ME455837
790
C00262
-
-
Indoxyl sulfate
Indoxyl sulfate
ME455875
10258
NA
-
-
Inosine
Inosine
ME455838
6021
C00294
-
-
Isocitric acid
Isocitric acid
ME455876
1198
C00311
-
-
L-Arabitol
L-Arabitol
ME455820
439255
C00532
-
-
L-Arginine
Arginine
ME455821
6322
C00062
-
-
L-Asparagine
Asparagine
ME455822
6267
C00152
-
-
L-Aspartic acid
Aspartic acid
ME455823
5960
C00049
-
-
L-Cystathionine
Cystathionine
ME455828
439258
C00542
-
-
L-Dopa
DOPA
ME455807
6047
C00355
-
-
L-Glutamic acid
Glutamic acid
ME455878
33032
C00025
-
-
L-Histidine
Histidine
ME455834
6274
C00135
-
-
L-Homoserine
Homoserine
ME455836
12647
C00263
-
-
L-Kynurenine
Kynurenine
ME455840
161166
C00328
-
-
L-Lactic acid
Lactic acid
ME455841
61503
C00256
-
-
L-Lysine
Lysine
ME455842
5962
C00047
-
-
L-Malic acid
Malic acid
ME455843
222656
C00149
-
-
L-Methionine
Methionine
ME455847
6137
C00073
-
-
L-Phenylalanine
Phenylalanine
ME455849
6140
C00079
-
-
L-Pipecolic acid
Pipecolic acid
ME455879
439227
C00408
-
-
L-Serine
Serine
ME455850
5951
C00065
-
-
L-Tryptophan
Tryptophan
ME455855
6305
C00078
-
-
L-Tyrosine
Tyrosine
ME455856
6057
C00082
-
-
Malonic acid
Malonic acid
ME455844
867
C00383
-
-
Mannitol
Mannitol
ME455846
6251
C00392
-
-
Monoethyl malonic acid
Monoethyl malonic acid
ME455869
70615
NA
-
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME455883
92832
C02727
-
-
N6-(delta2-Isopentenyl)-adenine
N6-Isopentenyladenine
ME455839
92180
C04083
-
-
N-Acetyl-4-O-acetylneuraminic acid
-
ME455880
440197
C04015
-
-
N-Acetyl-L-aspartic acid
N-Acetylaspartic acid
ME455881
65065
C01042
-
-
N-Acetyl-L-methionine
N-Acetylmethionine
ME455884
6180
C02712
-
-
N-Acetylserine
N-Acetylserine
ME455885
65249
NA
-
-
N-Acetylserotonin
N-Acetylserotonin
ME455886
903
C00978
-
-
Norepinephrine
Norepinephrine
ME455848
439260
C00547
-
-
O-Succinyl-L-homoserine
o-Succinylhomoserine
ME455887
-
C01118
-
-
Pantothenic acid
Pantothenic acid
ME455888
6613
C00864
-
-
Pyroglutamic acid
Pyroglutamic acid
ME455816
7405
C01879
-
-
Succinic acid
Succinic acid
ME455851
1110
C00042
-
-
Taurine
Taurine
ME455852
1123
C00245
-
-
Thymidine
Thymidine
ME455853
5789
C00214
-
-
trans-Aconitic acid
trans-Aconitic acid
ME455854
444212
C02341
-
-
trans-Cinnamic acid
trans-Cinnamic acid
ME455825
444539
C00423
-
-
trans-Ferulic acid
trans-Ferulic acid
ME455829
445858
C01494
-
-
Ureidopropionic acid
Ureidopropionic acid
ME455814
111
C02642
-
-
Uridine
Uridine
ME455857
6029
C00299
-
-
Vanillylmandelic acid
Vanillylmandelic acid
ME455812
736172
C05584
-
-
Xanthine
Xanthine
ME455858
1188
C00385
-
-
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-Aminocyclopropanecarboxylic acid
1-Aminocyclopropanecarboxylic acid
ME455890
535
C01234
-
-
1-Naphthylamine
1-Naphthylamine
ME455891
8640
C14790
-
-
2-Hydroxypyridine
2-Hydroxypyridine
ME455893
8871
C02502
-
-
3-Aminoisobutanoic acid
3-Aminoisobutanoic acid
ME455894
64956
C05145
-
-
3-Methyladenine
3-Methyladenine
ME455896
1673
C00913
-
-
3-Methyldioxyindole
3-Methyldioxyindole
ME455895
151066
C05834
-
-
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME455898
500
C01035
-
-
4-Hydroxy-L-proline
cis-4-Hydroxyproline
ME455899
69248
C01015
-
-
4-Trimethylammoniobutanoic acid
3-Dehydroxycarnitine
ME455923
134
C05543
-
-
5-Aminopentanoic acid
5-Aminopentanoic acid
ME455901
138
C00431
-
-
5'-Deoxyadenosine
5'-Deoxyadenosine
ME455902
439182
C05198
-
-
5-Methylcytosine
5-Methylcytosine
ME455973
65040
C02376
-
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME455903
439176
C00170
-
-
Adenine
Adenine
ME455909
190
C00147
-
-
Adenosine
Adenosine
ME455910
60961
C00212
-
-
Aminoadipic acid
Aminoadipic acid
ME455912
469
C00956
-
-
Betaine
Betaine
ME455915
247
C00719
-
-
Biotin
Biotin
ME455916
171548
C00120
-
-
Carnosine
Carnosine
ME455918
439224
C00386
-
-
Citrulline
Citrulline
ME455919
9750
C00327
-
-
Creatine
Creatine
ME455920
586
C00300
-
-
Creatinine
Creatinine
ME455921
588
C00791
-
-
Cytidine
Cytidine
ME455922
6175
C00475
-
-
Deoxyadenosine
Deoxyadenosine
ME455892
13730
C00559
-
-
Deoxycytidine
Deoxycytidine
ME455924
13711
C00881
-
-
Deoxyuridine
Deoxyuridine
ME455925
13712
C00526
-
-
Diethanolamine
Diethanolamine
ME455926
8113
C06772
-
-
Dihydrouracil
Dihydrouracil
ME455900
649
C00429
-
-
Ethanolamine
Ethanolamine
ME455927
700
C00189
-
-
Glucosamine
Glucosamine
ME455928
439213
C00329
-
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME455930
71920
C00670
-
-
Glycine
Glycine
ME455931
750
C00037
-
-
Guanine
Guanine
ME455932
764
C00242
-
-
Guanosine
Guanosine
ME455933
6802
C00387
-
-
Histamine
Histamine
ME455934
774
C00388
-
-
Hypoxanthine
Hypoxanthine
ME455937
790
C00262
-
-
Imidazoleacetic acid
Imidazoleacetic acid
ME455972
96215
C02835
-
-
Inosine
Inosine
ME455938
6021
C00294
-
-
Kynurenic acid
Kynurenic acid
ME455971
3845
C01717
-
-
L-Acetylcarnitine
CAR 2:0
ME455905
1
C02571
-
-
L-Alanine
Alanine
ME455911
5950
C00041
-
-
L-Arginine
Arginine
ME455913
6322
C00062
-
-
L-Asparagine
Asparagine
ME455914
6267
C00152
-
-
L-Carnitine
Carnitine
ME455917
2724480
C00318
-
-
L-Glutamic acid
Glutamic acid
ME455975
33032
C00025
-
-
L-Glutamine
Glutamine
ME455929
5961
C00064
-
-
L-Histidine
Histidine
ME455935
6274
C00135
-
-
L-Histidinol
L-Histidinol
ME455936
165271
C00860
-
-
Linolenic acid
Octadecatrienoic acid
ME455974
-
NA
-
-
L-Isoleucine
Isoleucine
ME455939
6306
C00407
-
-
L-Leucine
Leucine
ME455941
6106
C00123
-
-
L-Lysine
Lysine
ME455942
5962
C00047
-
-
L-Methionine
Methionine
ME455943
6137
C00073
-
-
L-Phenylalanine
Phenylalanine
ME455950
6140
C00079
-
-
L-Proline
Proline
ME455951
145742
C00148
-
-
L-Serine
Serine
ME455956
5951
C00065
-
-
L-Threonine
Threonine
ME455961
6288
C00188
-
-
L-Tryptophan
Tryptophan
ME455965
6305
C00078
-
-
L-Tyrosine
Tyrosine
ME455967
6057
C00082
-
-
L-Valine
Valine
ME455970
6287
C00183
-
-
Methylguanidine
Methylguanidine
ME455944
10111
C02294
-
-
N6-(delta2-Isopentenyl)-adenine
N6-Isopentenyladenine
ME455940
92180
C04083
-
-
N-Acetyl-L-methionine
N-Acetylmethionine
ME455906
6180
C02712
-
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME455907
74839
C03519
-
-
N-Acetylputrescine
N-Acetylputrescine
ME455908
122356
C02714
-
-
N-Alpha-acetyllysine
N(2)-Acetyllysine
ME455945
192590
C12989
-
-
Niacinamide
Niacinamide
ME455946
936
C00153
-
-
Nicotinic acid
Nicotinic acid
ME455947
938
C00253
-
-
N,N,N-Trimethyl-lysine
N-6-Trimethyllysine
ME455976
-
NA
-
-
Oleic acid
Oleic acid
ME455948
445639
C00712
-
-
Ornithine
Ornithine
ME455949
6262
C00077
-
-
Pantothenic acid
Pantothenic acid
ME455977
6613
C00864
-
-
Picolinic acid
Picolinic acid
ME455978
1018
C10164
-
-
Propanal
Propanal
ME455979
527
C00479
-
-
Pterin
Pterin
ME455952
73000
C00715
-
-
Purine
Purine
ME455953
1044
C15587
-
-
Pyroglutamic acid
Pyroglutamic acid
ME455904
7405
C01879
-
-
Riboflavin
Riboflavin
ME455954
493570
C00255
-
-
Salicylate
Salicylic acid
ME455955
-
C00805
-
-
Serotonin
Serotonin
ME455957
5202
C00780
-
-
Spermidine
Spermidine
ME455958
1102
C00315
-
-
Succinic acid
Succinic acid
ME455959
1110
C00042
-
-
Taurine
Taurine
ME455960
1123
C00245
-
-
Trigonelline
Trigonelline
ME455962
5570
C01004
-
-
Trimethylamine
Trimethylamine
ME455963
1146
C00565
-
-
Tryptamine
Tryptamine
ME455964
1150
C00398
-
-
Tyramine
Tyramine
ME455966
5610
C00483
-
-
Uracil
Uracil
ME455968
1174
C00106
-
-
Ureidopropionic acid
Ureidopropionic acid
ME455897
111
C02642
-
-
Urocanic acid
Urocanic acid
ME455969
736715
C00785
-
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2',4'-Dihydroxyacetophenone
2',4'-Dihydroxyacetophenone
ME455980
6990
C03663
-
-
2,5-Dihydroxybenzoate
Gentisic acid
ME455981
-
C00628
-
-
2-Acetamido-2-deoxy-beta-glucosyl
-
ME456031
-
NA
-
-
2-Aminoisobutyric acid
Aminoisobutyric acid
ME455982
6119
C03665
-
-
2-Deoxy-D-Glucose
2-Deoxy-glucose
ME455983
82756
C00586
-
-
3-(2-Hydroxyphenyl)propanoic acid
3-(2-Hydroxyphenyl)propanoic acid
ME455987
873
C01198
-
-
3,4-Dihydroxybenzeneacetic acid
3,4-Dihydroxybenzeneacetic acid
ME455986
547
C01161
-
-
3-Aminoisobutanoic acid
3-Aminoisobutanoic acid
ME455988
64956
C05145
-
-
3-Hydroxybenzoic acid
3-Hydroxybenzoic acid
ME455989
7420
C00587
-
-
3-Hydroxyphenylacetic acid
3-Hydroxyphenylacetic acid
ME455990
-
C05593
-
-
3-Methoxytyramine
3-Methoxytyramine
ME455991
1669
C05587
-
-
3-Methyldioxyindole
3-Methyldioxyindole
ME455992
151066
C05834
-
-
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME455993
18189
C02946
-
-
Adenine
Adenine
ME455997
190
C00147
-
-
Adenosine
Adenosine
ME455998
60961
C00212
-
-
Alpha-D-Glucose
Glucose
ME455999
79025
C00267
-
-
Aminoadipic acid
Aminoadipic acid
ME456000
469
C00956
-
-
Azelaic acid
Azelaic acid
ME456035
-
NA
-
-
Benzoic acid
Benzoic acid
ME456002
243
C00180
-
-
Benzyl alcohol
Benzyl alcohol
ME456036
-
NA
-
-
Citraconic acid
Citraconic acid
ME455984
643798
C02226
-
-
Citrulline
Citrulline
ME456003
9750
C00327
-
-
Clyclohexane-1,2-Diol
trans-Cyclohexane-1,2-diol
ME456005
-
C03739
-
-
Cortisone
Cortisone
ME456004
225609
C00762
-
-
Cysteic acid
Cysteic acid
ME456040
25701
C00506
-
-
Deoxycholic acid
Deoxycholic acid
ME456006
222528
C04483
-
-
Guanine
Guanine
ME456009
764
C00242
-
-
Homovanillic acid
Homovanillic acid
ME456011
1738
C05582
-
-
Imidazoleacetic acid
Imidazoleacetic acid
ME456034
96215
C02835
-
-
Indoleacetic acid
Indoleacetic acid
ME456038
802
C00954
-
-
Indoxyl sulfate
Indoxyl sulfate
ME456039
10258
NA
-
-
Inosine
Inosine
ME456012
6021
C00294
-
-
Kynurenic acid
Kynurenic acid
ME456033
3845
C01717
-
-
L-Arginine
Arginine
ME456001
6322
C00062
-
-
L-Glutamic acid
Glutamic acid
ME456041
33032
C00025
-
-
L-Glutamine
Glutamine
ME456008
5961
C00064
-
-
L-Histidine
Histidine
ME456010
6274
C00135
-
-
L-Lactic acid
Lactic acid
ME456013
61503
C00256
-
-
L-Methionine
Methionine
ME456014
6137
C00073
-
-
L-Serine
Serine
ME456020
5951
C00065
-
-
L-Threonine
Threonine
ME456023
6288
C00188
-
-
L-Tyrosine
Tyrosine
ME456026
6057
C00082
-
-
Maleic acid
Maleic acid
ME456042
-
NA
-
-
Monoethyl malonic acid
Monoethyl malonic acid
ME456037
70615
NA
-
-
myo-Inositol
Myo-inositol
ME456015
892
C00137
-
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME455996
74839
C03519
-
-
Ornithine
Ornithine
ME456016
6262
C00077
-
-
Orotic acid
Orotic acid
ME456043
967
C00295
-
-
p-Aminobenzoic acid
p-Aminobenzoic acid
ME455994
4876
C00568
-
-
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME456032
127
C00642
-
-
Pipecolic acid
Pipecolic acid
ME456044
849
C00408
-
-
Protocatechuic acid
Protocatechuic acid
ME455985
72
C00230
-
-
Pterin
Pterin
ME456017
73000
C00715
-
-
Pyroglutamic acid
Pyroglutamic acid
ME455995
7405
C01879
-
-
Ribitol
Ribitol
ME456018
6912
C00474
-
-
Salicylamide
Salicylamide
ME456019
5147
CA1193
-
-
Succinic acid
Succinic acid
ME456021
1110
C00042
-
-
Taurine
Taurine
ME456022
1123
C00245
-
-
Thymidine
Thymidine
ME456024
5789
C00214
-
-
Thymine
Thymine
ME456025
1135
C00178
-
-
trans-Ferulic acid
trans-Ferulic acid
ME456007
445858
C01494
-
-
Uracil
Uracil
ME456027
1174
C00106
-
-
Urocanic acid
Urocanic acid
ME456028
736715
C00785
-
-
Xanthine
Xanthine
ME456029
1188
C00385
-
-
Xanthosine
Xanthosine
ME456030
64959
C01762
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel