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Return to study ST001970 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
Ureidopropionic acid
Ureidopropionic acid
ME454752
111
C02642
-
-
Gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME454753
119
C00334
-
-
4-Trimethylammoniobutanoic acid
3-Dehydroxycarnitine
ME454781
134
C05543
-
-
5-Aminolevulinic acid
5-Amino-levulinic acid
ME454759
137
C00430
-
-
5-Aminopentanoic acid
5-Aminopentanoic acid
ME454760
138
C00431
-
-
Allantoin
Allantoin
ME454765
204
C01551
-
-
Beta-Alanine
beta-Alanine
ME454766
239
C00099
-
-
Betaine
Betaine
ME454767
247
C00719
-
-
Choline
Choline
ME454770
305
C00114
-
-
Hippuric acid
Hippuric acid
ME454794
464
C01586
-
-
Methylmalonic acid
Methylmalonic acid
ME454826
487
C02170
-
-
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME454754
500
C01035
-
-
1-Aminocyclopropanecarboxylic acid
1-Aminocyclopropanecarboxylic acid
ME454740
535
C01234
-
-
Creatine
Creatine
ME454776
586
C00300
-
-
Phosphocreatine
Phosphocreatine
ME454777
587
C02305
-
-
Creatinine
Creatinine
ME454778
588
C00791
-
-
Cytosine
Cytosine
ME454779
597
C00380
-
-
Dihydrouracil
Dihydrouracil
ME454762
649
C00429
-
-
D-Galactosamine
Galactosamine
ME454787
739
C02262
-
-
Glycine
Glycine
ME454789
750
C00037
-
-
Guanidoacetic acid
Guanidoacetic acid
ME454791
763
C00581
-
-
Hypoxanthine
Hypoxanthine
ME454795
790
C00262
-
-
Indoleacetaldehyde
Indoleacetaldehyde
ME454796
800
C00637
-
-
Indoleacetic acid
Indoleacetic acid
ME454797
802
C00954
-
-
Pipecolic acid
Pipecolic acid
ME454815
849
C00408
-
-
3-(2-Hydroxyphenyl)propanoic acid
3-(2-Hydroxyphenyl)propanoic acid
ME454746
873
C01198
-
-
myo-Inositol
Myo-inositol
ME454827
892
C00137
-
-
Niacinamide
Niacinamide
ME454835
936
C00153
-
-
Nicotinic acid
Nicotinic acid
ME454836
938
C00253
-
-
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
ME454747
979
C01179
-
-
Palmitic acid
Palmitic acid
ME454839
985
C00249
-
-
Pantothenic acid
Pantothenic acid
ME454840
988
C00864
-
-
Phenylacetaldehyde
Phenylacetaldehyde
ME454843
998
C00601
-
-
Phenylethylamine
Phenylethylamine
ME454842
1001
C05332
-
-
Phosphorylcholine
Choline phosphate
ME454844
1014
C00588
-
-
O-Phosphoethanolamine
Phosphoethanolamine
ME454786
1015
C00346
-
-
Pyridoxamine
Pyridoxamine
ME454846
1052
C00534
-
-
Taurine
Taurine
ME454855
1123
C00245
-
-
Thymine
Thymine
ME454858
1135
C00178
-
-
Uracil
Uracil
ME454861
1174
C00106
-
-
Uric acid
Uric acid
ME454862
1175
C00366
-
-
Xanthine
Xanthine
ME454865
1188
C00385
-
-
Isopentenyl pyrophosphate
Isopentenyl-diphosphate
ME454800
1195
C00129
-
-
3-Methyladenine
3-Methyladenine
ME454750
1673
C00913
-
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME454828
3568
C00270
-
-
Kynurenic acid
Kynurenic acid
ME454801
3845
C01717
-
-
Paraxanthine
Paraxanthine
ME454841
4687
C13747
-
-
Serotonin
Serotonin
ME454850
5202
C00780
-
-
Theobromine
Theobromine
ME454856
5429
C07480
-
-
Trigonelline
Trigonelline
ME454860
5570
C01004
-
-
Corticosterone
Corticosterone
ME454773
5753
C02140
-
-
Epinephrine
Epinephrine
ME454785
5816
C00788
-
-
L-Serine
Serine
ME454817
5951
C00065
-
-
L-Aspartic acid
Aspartic acid
ME454805
5960
C00049
-
-
L-Glutamine
Glutamine
ME454808
5961
C00064
-
-
L-Lysine
Lysine
ME454811
5962
C00047
-
-
Inosine
Inosine
ME454799
6021
C00294
-
-
5'UMP
UMP
ME454863
6030
C00105
-
-
L-Tyrosine
Tyrosine
ME454820
6057
C00082
-
-
Adenosine monophosphate
AMP
ME454764
6083
C00020
-
-
N-Methyltryptamine
N-Methyltryptamine
ME454834
6088
C06213
-
-
Cytidine monophosphate
CMP
ME454772
6131
C00055
-
-
L-Phenylalanine
Phenylalanine
ME454814
6140
C00079
-
-
Ornithine
Ornithine
ME454813
6262
C00077
-
-
L-Asparagine
Asparagine
ME454804
6267
C00152
-
-
L-Histidine
Histidine
ME454809
6274
C00135
-
-
L-Valine
Valine
ME454821
6287
C00183
-
-
L-Threonine
Threonine
ME454818
6288
C00188
-
-
L-Tryptophan
Tryptophan
ME454819
6305
C00078
-
-
L-Arginine
Arginine
ME454803
6322
C00062
-
-
Guanosine
Guanosine
ME454792
6802
C00387
-
-
Guanosine monophosphate
GMP
ME454793
6804
C00144
-
-
Diethanolamine
Diethanolamine
ME454783
8113
C06772
-
-
Citrulline
Citrulline
ME454771
9750
C00327
-
-
Methylguanidine
Methylguanidine
ME454825
10111
C02294
-
-
Suberic acid
Suberic acid
ME454854
10457
C08278
-
-
Tryptophanol
Tryptophanol
ME454798
10685
C00955
-
-
Ortho-Hydroxyphenylacetic acid
-
ME454744
11970
C05852
-
-
L-Glutamic acid
Glutamic acid
ME454807
33032
C00025
-
-
Oxfenicine
4-Hydroxyphenylglycine
ME454756
36143
CA1445
-
-
Adenosine
Adenosine
ME454763
60961
C00212
-
-
3-Methylhistidine
3-Methylhistidine
ME454751
64969
C01152
-
-
5-Methylcytosine
5-Methylcytosine
ME454761
65040
C02376
-
-
4-Hydroxy-L-proline
cis-4-Hydroxyproline
ME454755
69248
C01015
-
-
N-Acetylleucine
N-Acetylleucine
ME454831
70912
C02710
-
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME454851
71920
C00670
-
-
Pterin
Pterin
ME454845
73000
C00715
-
-
Indole-3-methyl acetate
Indole-3-methyl acetate
ME454824
74706
CA1231
-
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME454833
74839
C03519
-
-
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME454838
79034
C08317
-
-
2,3-Dihydroxypropyl tetradecanoate
-
ME454847
79050
CA1370
-
-
2-Deoxy-D-Glucose
2-Deoxy-glucose
ME454743
82756
C00586
-
-
N-Acetyl-L-alanine
N-Acetylalanine
ME454829
88064
C04341
-
-
Imidazoleacetic acid
Imidazoleacetic acid
ME454757
96215
C02835
-
-
Diaminopimelic acid
Diaminopimelic acid
ME454745
99290
C00666
-
-
Anserine
Anserine
ME454802
112072
C01262
-
-
L-Proline
Proline
ME454816
145742
C00148
-
-
3-Methyldioxyindole
3-Methyldioxyindole
ME454749
151066
C05834
-
-
L-Kynurenine
Kynurenine
ME454810
161166
C00328
-
-
Biotin
Biotin
ME454768
171548
C00120
-
-
N-Alpha-acetyllysine
N(2)-Acetyllysine
ME454832
192590
C12989
-
-
Cholic acid
Cholic acid
ME454769
221493
C00695
-
-
Cortisone
Cortisone
ME454775
225609
C00762
-
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME454852
439162
C00093
-
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME454758
439176
C00170
-
-
L-Dihydroorotic acid
4,5-Dihydroorotic acid
ME454784
439216
C00337
-
-
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME454788
439217
C00352
-
-
trans-Cinnamic acid
trans-Cinnamic acid
ME454859
444539
C00423
-
-
All-trans-retinoic acid
Retinoic acid
ME454848
444795
C00777
-
-
Dethiobiotin
Dethiobiotin
ME454782
445027
C01909
-
-
Oleic acid
Oleic acid
ME454837
445639
C00712
-
-
Riboflavin
Riboflavin
ME454849
493570
C00255
-
-
(2E,4E)-2,4-Hexadienoic acid
Sorbic acid
ME454853
643460
CA1411
-
-
Cortisol
Cortisol
ME454774
657311
C00735
-
-
Urocanic acid
Urocanic acid
ME454864
736715
C00785
-
-
L-Carnitine
Carnitine
ME454806
2724480
C00318
-
-
Thiamine monophosphate
Thiamine monophosphate
ME454857
3382778
C01081
-
-
Glyceryl monoacetate
-
ME454741
5283468
-
-
-
Lumichrome
Lumichrome
ME454823
5326566
C01727
-
-
L-Norvaline
2S-Aminopentanoic acid
ME454812
7019097
C01826
-
-
N-Acetylmannosamine
N-Acetyl-mannosamine
ME454830
11096158
C00645
-
-
Glycocholic acid
Glycocholic acid
ME454790
23617285
C01921
-
-
2-Aminophenol
2-Aminophenol
ME454742
-
C01987
-
-
3-Amino-5-hydroxybenzoic acid
3-Amino-5-hydroxybenzoic acid
ME454748
-
C12107
-
-
Lactose
Lactose
ME454780
-
C00243
-
-
L-Norleucine
Norleucine
ME454822
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Ketoleucine
Ketoleucine
ME454876
70
C00233
-
-
Ureidopropionic acid
Ureidopropionic acid
ME454872
111
C02642
-
-
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME454875
127
C00642
-
-
Allantoin
Allantoin
ME454881
204
C01551
-
-
Benzyl alcohol
Benzyl alcohol
ME454883
244
C00556
-
-
Pyrocatechol
Pyrocatechol
ME454885
289
C00090
-
-
Ciliatine
Ciliatine
ME454866
339
C03557
-
-
Hippuric acid
Hippuric acid
ME454903
464
C01586
-
-
Creatine
Creatine
ME454888
586
C00300
-
-
Creatinine
Creatinine
ME454889
588
C00791
-
-
Homogentisic acid
Homogentisic acid
ME454904
780
C00544
-
-
Hypoxanthine
Hypoxanthine
ME454906
790
C00262
-
-
Malonic acid
Malonic acid
ME454924
867
C00383
-
-
3-(2-Hydroxyphenyl)propanoic acid
3-(2-Hydroxyphenyl)propanoic acid
ME454869
873
C01198
-
-
Nicotinic acid
Nicotinic acid
ME454933
938
C00253
-
-
Pantothenic acid
Pantothenic acid
ME454935
988
C00864
-
-
O-Phosphoethanolamine
Phosphoethanolamine
ME454894
1015
C00346
-
-
Succinic acid
Succinic acid
ME454938
1110
C00042
-
-
Taurine
Taurine
ME454939
1123
C00245
-
-
Uracil
Uracil
ME454941
1174
C00106
-
-
Xanthine
Xanthine
ME454945
1188
C00385
-
-
Isocitric acid
Isocitric acid
ME454909
1198
C00311
-
-
Azelaic acid
Azelaic acid
ME454882
2266
C08261
-
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME454931
3568
C00270
-
-
L-Serine
Serine
ME454919
5951
C00065
-
-
Glucose 6-phosphate
Glucose 6-phosphate
ME454891
5958
C00092
-
-
L-Aspartic acid
Aspartic acid
ME454913
5960
C00049
-
-
Inosine
Inosine
ME454908
6021
C00294
-
-
Uridine
Uridine
ME454942
6029
C00299
-
-
5'UMP
UMP
ME454943
6030
C00105
-
-
L-Tyrosine
Tyrosine
ME454921
6057
C00082
-
-
Adenosine monophosphate
AMP
ME454880
6083
C00020
-
-
L-Methionine
Methionine
ME454917
6137
C00073
-
-
L-Phenylalanine
Phenylalanine
ME454918
6140
C00079
-
-
N-Acetyl-L-methionine
N-Acetylmethionine
ME454929
6180
C02712
-
-
Mannitol
Mannitol
ME454926
6251
C00392
-
-
L-Asparagine
Asparagine
ME454912
6267
C00152
-
-
L-Histidine
Histidine
ME454916
6274
C00135
-
-
L-Tryptophan
Tryptophan
ME454920
6305
C00078
-
-
L-Arginine
Arginine
ME454911
6322
C00062
-
-
Pyroglutamic acid
Pyroglutamic acid
ME454878
7405
C01879
-
-
Shikimic acid
Shikimic acid
ME454936
8742
C00493
-
-
Citrulline
Citrulline
ME454887
9750
C00327
-
-
4-Methylcatechol
4-Methylcatechol
ME454877
9958
C06730
-
-
Indoxyl sulfate
Indoxyl sulfate
ME454907
10258
-
-
-
Suberic acid
Suberic acid
ME454937
10457
C08278
-
-
Gluconic acid
Gluconic acid
ME454899
10690
C00257
-
-
L-Homoserine
Homoserine
ME454905
12647
C00263
-
-
ADP-glucose
ADP-glucose
ME454879
16500
C00498
-
-
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME454873
18189
C02946
-
-
3-Hydroxycapric acid
10-Hydroxydecanoic acid
ME454867
26612
C02774
-
-
L-Glutamic acid
Glutamic acid
ME454915
33032
C00025
-
-
Glucaric acid
Glucaric acid
ME454892
33037
C00818
-
-
L-Lactic acid
Lactic acid
ME454922
61503
C00256
-
-
4-Hydroxy-L-proline
cis-4-Hydroxyproline
ME454874
69248
C01015
-
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME454928
74839
C03519
-
-
Alpha-D-Glucose
Glucose
ME454900
79025
C00267
-
-
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME454934
79034
C08317
-
-
N6-(delta2-Isopentenyl)-adenine
N6-Isopentenyladenine
ME454932
92180
C04083
-
-
Biotin
Biotin
ME454884
171548
C00120
-
-
L-Malic acid
Malic acid
ME454923
222656
C00149
-
-
Glyceric acid
Glyceric acid
ME454901
439194
C00258
-
-
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME454890
439217
C00352
-
-
L-Arabitol
L-Arabitol
ME454910
439255
C00532
-
-
L-Cystathionine
Cystathionine
ME454914
439258
C00542
-
-
3-Sulfinoalanine
3-Sulfino-alanine
ME454871
439270
C00606
-
-
Citramalic acid
Citramalic acid
ME454886
441696
C00815
-
-
trans-Aconitic acid
trans-Aconitic acid
ME454940
444212
C02341
-
-
Fumaric acid
Fumaric acid
ME454897
444972
C00122
-
-
Dethiobiotin
Dethiobiotin
ME454893
445027
C01909
-
-
trans-Ferulic acid
trans-Ferulic acid
ME454895
445858
C01494
-
-
Urocanic acid
Urocanic acid
ME454944
736715
C00785
-
-
Galactaric acid
Galactaric acid
ME454898
3037582
C00879
-
-
D-Maltose
Maltose
ME454925
10991489
C00208
-
-
Glycocholic acid
Glycocholic acid
ME454902
23617285
C01921
-
-
2-Hydroxybutyric acid
2-Hydroxybutyric acid
ME454868
-
-
-
-
3-Methylglutaric acid
Methylglutaric acid
ME454870
-
CA1192
-
-
Acetyl-L-tryptophan
N-Acetyl-D-tryptophan
ME454927
-
C03137
-
-
Acetyl-serine
O-Acetylserine
ME454930
-
CA1449
-
-
Formyl-L-Methionyl peptide
N-Formylmethionine
ME454896
-
C03145
-
-
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
L-Acetylcarnitine
CAR 2:0
ME455048
1
C02571
-
-
Gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME454958
119
C00334
-
-
4-Trimethylammoniobutanoic acid
3-Dehydroxycarnitine
ME454985
134
C05543
-
-
5-Aminolevulinic acid
5-Amino-levulinic acid
ME454962
137
C00430
-
-
Adenine
Adenine
ME454965
190
C00147
-
-
Adipic acid
Adipic acid
ME454967
196
C06104
-
-
Allantoin
Allantoin
ME454968
204
C01551
-
-
2-Aminobenzoic acid
2-Aminobenzoic acid
ME454971
227
C00108
-
-
Beta-Alanine
beta-Alanine
ME454973
239
C00099
-
-
Betaine
Betaine
ME454974
247
C00719
-
-
Butanal
Butanal
ME454976
261
C01412
-
-
Hippuric acid
Hippuric acid
ME455003
464
C01586
-
-
Propanal
Propanal
ME455051
527
C00479
-
-
Creatine
Creatine
ME454980
586
C00300
-
-
Creatinine
Creatinine
ME454981
588
C00791
-
-
Cytosine
Cytosine
ME454983
597
C00380
-
-
Dihydrouracil
Dihydrouracil
ME454964
649
C00429
-
-
Diacetyl
Diacetyl
ME454988
650
C00741
-
-
Ethanolamine
Ethanolamine
ME454993
700
C00189
-
-
Glycine
Glycine
ME454996
750
C00037
-
-
Guanidoacetic acid
Guanidoacetic acid
ME454998
763
C00581
-
-
Guanine
Guanine
ME454999
764
C00242
-
-
Homogentisic acid
Homogentisic acid
ME455004
780
C00544
-
-
Hypoxanthine
Hypoxanthine
ME455006
790
C00262
-
-
Indole
Indole
ME455007
798
C00463
-
-
Indolepyruvate
Indolepyruvate
ME455009
803
C00331
-
-
Pipecolic acid
Pipecolic acid
ME455050
849
C00408
-
-
Lipoamide
Lipoamide
ME455029
863
C00248
-
-
Melatonin
Melatonin
ME455032
896
C01598
-
-
N-Acetylserotonin
N-Acetylserotonin
ME455042
903
C00978
-
-
Niacinamide
Niacinamide
ME455046
936
C00153
-
-
Pantothenic acid
Pantothenic acid
ME454984
988
C00864
-
-
Sarcosine
Sarcosine
ME455058
1088
C00213
-
-
Succinic acid
Succinic acid
ME455062
1110
C00042
-
-
Taurine
Taurine
ME455063
1123
C00245
-
-
Thymine
Thymine
ME455067
1135
C00178
-
-
Trimethylamine
Trimethylamine
ME455073
1146
C00565
-
-
Uridine diphosphate-N-acetylgalactosamine
UDP-N-acetylgalactosamine
ME455076
1167
C00203
-
-
Uracil
Uracil
ME455074
1174
C00106
-
-
3-Methyladenine
3-Methyladenine
ME454956
1673
C00913
-
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME454963
1826
C05635
-
-
Theophylline
Theophylline
ME455065
2153
C07130
-
-
Azelaic acid
Azelaic acid
ME454972
2266
C08261
-
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME455040
3568
C00270
-
-
Kynurenic acid
Kynurenic acid
ME454959
3845
C01717
-
-
Paraxanthine
Paraxanthine
ME455049
4687
C13747
-
-
Salicylamide
Salicylamide
ME455056
5147
CA1193
-
-
Theobromine
Theobromine
ME455064
5429
C07480
-
-
Trigonelline
Trigonelline
ME455072
5570
C01004
-
-
Thymidine
Thymidine
ME455066
5789
C00214
-
-
L-Serine
Serine
ME455022
5951
C00065
-
-
L-Glutamine
Glutamine
ME455016
5961
C00064
-
-
L-Lysine
Lysine
ME455018
5962
C00047
-
-
Inosine
Inosine
ME455010
6021
C00294
-
-
Uridine
Uridine
ME455075
6029
C00299
-
-
L-Tyrosine
Tyrosine
ME455026
6057
C00082
-
-
Cyclic AMP
3',5' cyclic AMP
ME454954
6076
C00575
-
-
N-Methyltryptamine
N-Methyltryptamine
ME455036
6088
C06213
-
-
L-Leucine
Leucine
ME455028
6106
C00123
-
-
L-Methionine
Methionine
ME455019
6137
C00073
-
-
L-Phenylalanine
Phenylalanine
ME455020
6140
C00079
-
-
L-Asparagine
Asparagine
ME455013
6267
C00152
-
-
L-Valine
Valine
ME455027
6287
C00183
-
-
L-Threonine
Threonine
ME455023
6288
C00188
-
-
L-Tryptophan
Tryptophan
ME455024
6305
C00078
-
-
L-Isoleucine
Isoleucine
ME455017
6306
C00407
-
-
L-Arginine
Arginine
ME455012
6322
C00062
-
-
Guanosine
Guanosine
ME455000
6802
C00387
-
-
Heptanoic acid
Heptylic acid
ME455001
8094
C17714
-
-
Diethanolamine
Diethanolamine
ME454989
8113
C06772
-
-
2-Hydroxypyridine
2-Hydroxypyridine
ME454951
8871
C02502
-
-
Caproic acid
Caproic acid
ME455002
8892
C01585
-
-
Citrulline
Citrulline
ME454979
9750
C00327
-
-
Methylguanidine
Methylguanidine
ME455034
10111
C02294
-
-
Tryptophanol
Tryptophanol
ME455008
10685
C00955
-
-
2-Methylglutaric acid
2-Methylglutaric acid
ME454952
12046
-
-
-
Pyrrole-2-carboxylic acid
Pyrrole-2-carboxylic acid
ME455053
12473
C05942
-
-
L-Homoserine
Homoserine
ME455005
12647
C00263
-
-
Deoxycytidine
Deoxycytidine
ME454986
13711
C00881
-
-
Alpha-Tocopherol
alpha-Tocopherol
ME454970
14985
C02477
-
-
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME454957
18189
C02946
-
-
D-Mannose
Mannose
ME455031
18950
C00159
-
-
L-Norleucine
Norleucine
ME455047
21236
C01933
-
-
3-Hydroxycapric acid
10-Hydroxydecanoic acid
ME454949
26612
C02774
-
-
1-Methyladenosine
1-Methyladenosine
ME454947
27476
C02494
-
-
L-Glutamic acid
Glutamic acid
ME455015
33032
C00025
-
-
Adenosine
Adenosine
ME454966
60961
C00212
-
-
17a-Estradiol
Estradiol-17alpha
ME454992
68570
C02537
-
-
4-Hydroxy-L-proline
cis-4-Hydroxyproline
ME455068
69248
C01015
-
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME455059
71920
C00670
-
-
Pterin
Pterin
ME455052
73000
C00715
-
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME455039
74839
C03519
-
-
2,3-Dihydroxypropyl tetradecanoate
-
ME455054
79050
CA1370
-
-
Tryptophanamide
Tryptophanamide
ME455025
89366
C00977
-
-
L(-)-Nicotine
Nicotine
ME454946
89594
C00745
-
-
N6-(delta2-Isopentenyl)-adenine
N6-Isopentenyladenine
ME455044
92180
C04083
-
-
4-Heptenal diethyl acetal
4-Heptenal diethyl acetal
ME454990
97750
C04067
-
-
L-Allothreonine
Allothreonine
ME455011
99289
C05519
-
-
N-Acetylputrescine
N-Acetylputrescine
ME455041
122356
C02714
-
-
L-Proline
Proline
ME455021
145742
C00148
-
-
Biotin
Biotin
ME454975
171548
C00120
-
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME455060
439162
C00093
-
-
N-Acetyl-D-glucosamine
N-Acetyl-D-glucosamine
ME455037
439174
C00140
-
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME454961
439176
C00170
-
-
5'-Deoxyadenosine
5'-Deoxyadenosine
ME454960
439182
C05198
-
-
Carnosine
Carnosine
ME454977
439224
C00386
-
-
Citramalic acid
Citramalic acid
ME454978
441696
C00815
-
-
trans-Cinnamic acid
trans-Cinnamic acid
ME455070
444539
C00423
-
-
Dethiobiotin
Dethiobiotin
ME454987
445027
C01909
-
-
trans-Ferulic acid
trans-Ferulic acid
ME454994
445858
C01494
-
-
Riboflavin
Riboflavin
ME455055
493570
C00255
-
-
Cinnamaldehyde
Cinnamaldehyde
ME455069
637511
C00903
-
-
(2E,4E)-2,4-Hexadienoic acid
Sorbic acid
ME455061
643460
CA1411
-
-
Urocanic acid
Urocanic acid
ME455077
736715
C00785
-
-
L-Carnitine
Carnitine
ME455014
2724480
C00318
-
-
Gamma-Linolenic acid
gamma-Linolenic acid
ME454995
5280933
C06426
-
-
Glyceryl monoacetate
-
ME454948
5283468
-
-
-
Lumichrome
Lumichrome
ME455030
5326566
C01727
-
-
Methyl jasmonate
Methyl jasmonate
ME455033
5367719
C11512
-
-
N-Acetylmannosamine
N-Acetyl-mannosamine
ME455038
11096158
C00645
-
-
2,6-Dihydroxypyridine
2,6-Dihydroxypyridine
ME454953
-
C03056
-
-
2-Aminophenol
2-Aminophenol
ME454950
-
C01987
-
-
3-Methylglutaric acid
Methylglutaric acid
ME454955
-
CA1192
-
-
5-Hydroxylysine
5-Hydroxylysine
ME454991
-
C01211
-
-
Alpha-D-Galactose-1-phosphate
Galactose 1-phosphate
ME454969
-
-
-
-
Cyclohexane-1,2-diol
trans-Cyclohexane-1,2-diol
ME455071
-
C03739
-
-
Cytidine 2,3- cyclic monophosphate
2',3' cyclic CMP
ME454982
-
C02354
-
-
Dimethyl-1,4-Phenylenediamine
N,N-Dimethyl-1,4-phenylenediamine
ME455043
-
C04203
-
-
Glycolaldehyde dimer
Glycolaldehyde dimer
ME454997
-
C00266
-
-
Mono methyl glutaric acid
Monomethyl glutaric acid
ME455035
-
-
-
-
N,N,N-Trumethyllysine
N-6-Trimethyllysine
ME455045
-
C03793
-
-
Salicylate
Salicylic acid
ME455057
-
C00805
-
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Ketoleucine
Ketoleucine
ME455103
70
C00233
-
-
Oxoadipic acid
Oxoadipic acid
ME455088
71
C00322
-
-
Protocatechuic acid
Protocatechuic acid
ME455106
72
C00230
-
-
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME455098
86
C00632
-
-
Acetoacetic acid
Acetoacetic acid
ME455117
96
C00164
-
-
Ureidopropionic acid
Ureidopropionic acid
ME455105
111
C02642
-
-
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME455109
126
C00633
-
-
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME455111
127
C00642
-
-
4-Hydroxybenzoic acid
4-Hydroxybenzoic acid
ME455110
135
C00156
-
-
Adenine
Adenine
ME455118
190
C00147
-
-
Adipic acid
Adipic acid
ME455120
196
C06104
-
-
Benzoic acid
Benzoic acid
ME455125
243
C00180
-
-
Benzyl alcohol
Benzyl alcohol
ME455126
244
C00556
-
-
Butyric acid
Butyric acid
ME455127
264
C00246
-
-
Pyrocatechol
Pyrocatechol
ME455130
289
C00090
-
-
Caprylic acid
Caprylic acid
ME455129
379
C06423
-
-
Pimelic acid
Pimelic acid
ME455115
385
C02656
-
-
Hippuric acid
Hippuric acid
ME455150
464
C01586
-
-
Methylmalonic acid
Methylmalonic acid
ME455178
487
C02170
-
-
3,4-Dihydroxybenzeneacetic acid
3,4-Dihydroxybenzeneacetic acid
ME455107
547
C01161
-
-
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME455144
668
C00111
-
-
Guanine
Guanine
ME455148
764
C00242
-
-
Homogentisic acid
Homogentisic acid
ME455151
780
C00544
-
-
Hydroquinone
Hydroquinone
ME455154
785
C00530
-
-
Indoleacetic acid
Indoleacetic acid
ME455156
802
C00954
-
-
Itaconic acid
Itaconic acid
ME455160
811
C00490
-
-
3-(2-Hydroxyphenyl)propanoic acid
3-(2-Hydroxyphenyl)propanoic acid
ME455093
873
C01198
-
-
myo-Inositol
Myo-inositol
ME455180
892
C00137
-
-
Orotic acid
Orotic acid
ME455188
967
C00295
-
-
Pantothenic acid
Pantothenic acid
ME455139
988
C00864
-
-
Phenylacetic acid
Phenylacetic acid
ME455191
999
C07086
-
-
Sarcosine
Sarcosine
ME455197
1088
C00213
-
-
Succinic acid
Succinic acid
ME455199
1110
C00042
-
-
Taurine
Taurine
ME455201
1123
C00245
-
-
Thymine
Thymine
ME455205
1135
C00178
-
-
Uridine diphosphate-N-acetylgalactosamine
UDP-N-acetylgalactosamine
ME455211
1167
C00203
-
-
Uracil
Uracil
ME455209
1174
C00106
-
-
Uric acid
Uric acid
ME455210
1175
C00366
-
-
Xanthine
Xanthine
ME455216
1188
C00385
-
-
3-Hydroxymethylglutaric acid
3-Hydroxymethylglutaric acid
ME455097
1662
C03761
-
-
3-Methyladenine
3-Methyladenine
ME455104
1673
C00913
-
-
Homovanillic acid
Homovanillic acid
ME455153
1738
C05582
-
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME455114
1826
C05635
-
-
Methyl beta-D-glucopyranoside
Methyl glucose
ME455176
2108
C03619
-
-
Theophylline
Theophylline
ME455203
2153
C07130
-
-
Azelaic acid
Azelaic acid
ME455124
2266
C08261
-
-
D-Lyxose
Lyxose
ME455137
3759
C00476
-
-
Thymidine
Thymidine
ME455204
5789
C00214
-
-
L-Serine
Serine
ME455167
5951
C00065
-
-
L-Glutamine
Glutamine
ME455166
5961
C00064
-
-
Sucrose
Sucrose
ME455200
5988
C00089
-
-
Inosine
Inosine
ME455159
6021
C00294
-
-
L-Tyrosine
Tyrosine
ME455170
6057
C00082
-
-
Cyclic AMP
3',5' cyclic AMP
ME455092
6076
C00575
-
-
Mannitol
Mannitol
ME455174
6251
C00392
-
-
Ornithine
Ornithine
ME455138
6262
C00077
-
-
L-Asparagine
Asparagine
ME455164
6267
C00152
-
-
L-Valine
Valine
ME455171
6287
C00183
-
-
L-Threonine
Threonine
ME455169
6288
C00188
-
-
L-Arginine
Arginine
ME455163
6322
C00062
-
-
Isobutyric acid
Isobutyric acid
ME455087
6590
C02632
-
-
Ribitol
Ribitol
ME455194
6912
C00474
-
-
3-Hydroxybenzoic acid
3-Hydroxybenzoic acid
ME455100
7420
C00587
-
-
Pelargonic acid
Pelargonic acid
ME455186
8158
C01601
-
-
Caproic acid
Caproic acid
ME455149
8892
C01585
-
-
Citrulline
Citrulline
ME455132
9750
C00327
-
-
Indoxyl sulfate
Indoxyl sulfate
ME455158
10258
-
-
-
Suberic acid
Suberic acid
ME455198
10457
C08278
-
-
Tryptophanol
Tryptophanol
ME455157
10685
C00955
-
-
Ethylmalonic acid
Ethylmalonic acid
ME455145
11756
C02170
-
-
Galactitol
Galactitol
ME455146
11850
C01697
-
-
Ortho-Hydroxyphenylacetic acid
-
ME455084
11970
C05852
-
-
2-Methylglutaric acid
2-Methylglutaric acid
ME455085
12046
-
-
-
Pyrrole-2-carboxylic acid
Pyrrole-2-carboxylic acid
ME455193
12473
C05942
-
-
L-Homoserine
Homoserine
ME455152
12647
C00263
-
-
Deoxycytidine
Deoxycytidine
ME455143
13711
C00881
-
-
Uridine diphosphategalactose
Uridine diphosphategalactose
ME455213
18068
C00052
-
-
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME455108
18189
C02946
-
-
D-Mannose
Mannose
ME455175
18950
C00159
-
-
3-Hydroxycapric acid
10-Hydroxydecanoic acid
ME455080
26612
C02774
-
-
L-Glutamic acid
Glutamic acid
ME455165
33032
C00025
-
-
Adenosine
Adenosine
ME455119
60961
C00212
-
-
L-Lactic acid
Lactic acid
ME455078
61503
C00256
-
-
3-Aminoisobutanoic acid
3-Aminoisobutanoic acid
ME455096
64956
C05145
-
-
Xanthosine
Xanthosine
ME455217
64959
C01762
-
-
N-Acetylleucine
N-Acetylleucine
ME455183
70912
C02710
-
-
Pterin
Pterin
ME455192
73000
C00715
-
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME455184
74839
C03519
-
-
Alpha-D-Glucose
Glucose
ME455122
79025
C00267
-
-
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME455187
79034
C08317
-
-
2-Deoxy-D-Glucose
2-Deoxy-glucose
ME455083
82756
C00586
-
-
N-Acetylgalactosamine
N-Acetyl-D-galactosamine
ME455181
84265
C01074
-
-
N6-(delta2-Isopentenyl)-adenine
N6-Isopentenyladenine
ME455185
92180
C04083
-
-
Imidazoleacetic acid
Imidazoleacetic acid
ME455112
96215
C02835
-
-
L-Allothreonine
Allothreonine
ME455161
99289
C05519
-
-
Hypotaurine
Hypotaurine
ME455155
107812
C00519
-
-
Deoxyguanosine
Deoxyguanosine
ME455081
187790
C00330
-
-
Cholic acid
Cholic acid
ME455131
221493
C00695
-
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME455147
439162
C00093
-
-
5'-Deoxyadenosine
5'-Deoxyadenosine
ME455113
439182
C05198
-
-
L-Arabitol
L-Arabitol
ME455162
439255
C00532
-
-
Mandelic acid
Mandelic acid
ME455173
439616
C01984
-
-
2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxyp...
2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine
ME455089
440598
C03212
-
-
trans-Aconitic acid
trans-Aconitic acid
ME455206
444212
C02341
-
-
trans-Cinnamic acid
trans-Cinnamic acid
ME455207
444539
C00423
-
-
Riboflavin
Riboflavin
ME455195
493570
C00255
-
-
Citraconic acid
Citraconic acid
ME455086
643798
C02226
-
-
Urocanic acid
Urocanic acid
ME455215
736715
C00785
-
-
Caffeic acid
Caffeic acid
ME455128
1549111
C01481
-
-
Lumichrome
Lumichrome
ME455172
5326566
C01727
-
-
Methyl jasmonate
Methyl jasmonate
ME455177
5367719
C11512
-
-
N-Acetylmannosamine
N-Acetyl-mannosamine
ME455182
11096158
C00645
-
-
Uridine diphosphate glucose
UDP-glucose
ME455214
53477679
C00029
-
-
Lithocholyltaurine
Taurolithocholic acid
ME455202
53477716
C02592
-
-
1-Hydroxy-2-naphthoate
1-Hydroxy-2-naphthoate
ME455079
54675865
C03203
-
-
2,4-dihydroxypyrimidine-5-carboxylic acid
Uracil-5-carboxylic acid
ME455090
-
C03030
-
-
2,5-dihydroxybenzoate
Gentisic acid
ME455091
-
C00628
-
-
2-Aminophenol
2-Aminophenol
ME455082
-
C01987
-
-
3-Amino-4-hydroxybenzoic acid
3-Amino-4-hydroxybenzoic acid
ME455094
-
C12115
-
-
3-Amino-5-hydroxybenzoic acid
3-Amino-5-hydroxybenzoic acid
ME455095
-
C12107
-
-
3-hydroxybenzaldehyde
3-Hydroxybenzaldehyde
ME455099
-
C03067
-
-
3-hydroxyphenylacetate
3-Hydroxyphenylacetic acid
ME455101
-
C05593
-
-
3-methyglutaric acid
Methylglutaric acid
ME455102
-
CA1192
-
-
6-deoxy-l-galactose
D-Fucose
ME455116
-
-
-
-
allose
Allose
ME455121
-
-
-
-
arabinose
Arabinose
ME455123
-
-
-
-
cellobiose
Cellobiose
ME455134
-
-
-
-
Cyclohecane-1,2-Diol
trans-Cyclohexane-1,2-diol
ME455208
-
C03739
-
-
cytidine 2,3-cyclic monophosphate
2',3' cyclic CMP
ME455133
-
C02354
-
-
fructose
Fructose
ME455135
-
-
-
-
galactose
Galactose
ME455136
-
-
-
-
Mono-methyl glutaric acid
Monomethyl glutaric acid
ME455179
-
-
-
-
Palatinose
Palatinose
ME455189
-
-
-
-
Pantolactone
Pantolactone
ME455190
-
C01012
-
-
ribose
Ribose
ME455140
-
-
-
-
Salicylate
Salicylic acid
ME455196
-
C00805
-
-
sorbitol
Sorbitol
ME455141
-
-
-
-
Sorbose
Sorbose
ME455168
-
-
-
-
tagatose
D-Tagatose
ME455142
-
-
-
-
Uridine diphosphate-N-acetylglucosamine
UDP-N-acetylglucosamine
ME455212
-
C00043
-
-
Xylitol
Xylitol
ME455218
-
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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