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