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Return to study ST002231 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
NAD+
NAD
ME539976
-
C00003
7.7
664.11642
NADP+
NADP
ME539977
-
C00006
10.1
744.082752
S-Adenosylmethionine
S-Adenosylmethionine
ME540028
-
C00019
8.8
399.14454
Adenosine monophosphate
AMP
ME539886
-
C00020
7.8
348.0703843
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME540027
-
C00021
7.0
385.1288885
Glutamate
Glutamic acid
ME539932
-
C00025
8.0
148.0604578
Glycine
Glycine
ME539936
-
C00037
8.0
76.03932841
Alanine
Alanine
ME539889
-
C00041
7.4
90.05497847
Lysine
Lysine
ME539955
-
C00047
12.7
147.1128277
Glutathione
Glutathione
ME539933
-
C00051
7.9
308.091106
Arginine
Arginine
ME539896
-
C00062
13.0
175.1189757
Serine
Serine
ME540030
-
C00065
7.9
106.0498931
Methionine
Methionine
ME539966
-
C00073
5.7
150.0583493
Ornithine
Ornithine
ME539984
-
C00077
12.1
133.0971776
Tryptophan
Tryptophan
ME540048
-
C00078
5.7
205.0971776
Glucose 1-phosphate
Glucose 1-phosphate
ME539929
-
C00103
9.0
261.0370185
Leucine
Leucine
ME539952
-
C00123
5.2
132.1019287
Glutathione disulfide
Oxidized glutathione
ME539934
-
C00127
10.2
613.1593
Histidine
Histidine
ME539943
-
C00135
7.9
156.0767765
N-Acetylhexosamine
N-Acetylhexosamine
ME539974
-
C00140
5.5
222.0972372
Asparagine
Asparagine
ME539898
-
C00152
7.8
133.0607921
Nicotinamide
Niacinamide
ME539979
-
C00153
2.5
123.0553128
S-Methylthioadenosine
5'-Methylthioadenosine
ME540035
-
C00170
2.8
298.0968601
Agmatine sulfate
Agmatine
ME539888
-
C00179
12.5
131.129146
Threonine
Threonine
ME540043
-
C00188
7.3
120.0655432
Adenosine
Adenosine
ME539885
-
C00212
3.9
268.1040539
Thymidine
Thymidine
ME540044
-
C00214
2.8
243.0975716
Guanine
Guanine
ME539939
-
C00242
5.7
152.0567098
Taurine
Taurine
ME540039
-
C00245
7.5
126.0219638
Pyridoxal
Pyridoxal
ME540022
-
C00250
2.8
168.0655432
Hypoxanthine
Hypoxanthine
ME539946
-
C00262
4.6
137.0458108
N-Acetylneuraminate
N-Acetylneuraminic acid
ME539975
-
C00270
7.5
310.1132812
Creatine
Creatine
ME539916
-
C00300
7.1
132.0767765
ADP-ribose
ADP-ribose
ME539887
-
C00301
8.8
560.0789735
Pyridoxine
Pyridoxine
ME540024
-
C00314
2.8
170.0811932
Carnitine
Carnitine
ME539902
-
C00318
6.7
162.1124934
Sphingosine
Sphingosine
ME540037
-
C00319
2.5
300.2897
Citrulline
Citrulline
ME539915
-
C00327
7.9
176.1029913
Kynurenine
Kynurenine
ME539951
-
C00328
5.3
209.0920923
Hexosamines
Glucosamine
ME539941
-
C00329
7.5
180.0866725
Deoxyguanosine
Deoxyguanosine
ME539923
-
C00330
5.2
266.0894539
Gamma-aminobutyrate
gamma-Aminobutyric acid
ME539928
-
C00334
7.6
104.0706285
Methyl 4-aminobutyrate
Methyl 4-aminobutanoate
ME539967
-
C00334
6.3
118.08628
Phosphoethanolamine
Phosphoethanolamine
ME540016
-
C00346
8.4
142.0263943
Deoxyguanosine monophosphate
dGMP
ME539924
-
C00362
7.0
346.0557843
Thiamine
Thiamine
ME540041
-
C00378
8.1
265.1118
Carnosine
Carnosine
ME539913
-
C00386
8.0
227.1138903
Guanosine
Guanosine
ME539940
-
C00387
6.0
282.0843686
Histamine
Histamine
ME539942
-
C00388
12.3
112.0869473
Isoleucine
Isoleucine
ME539949
-
C00407
5.4
132.1019287
Pipecolate
Pipecolic acid
ME540019
-
C00408
5.9
130.0862786
Nicotinamide mononucleotide
Nicotinamide ribotide
ME539980
-
C00455
8.0
335.063902
Indole
Indole
ME539947
-
C00463
1.8
118.0651492
Hypotaurine
Hypotaurine
ME539945
-
C00519
7.4
110.0270492
Pyridoxamine
Pyridoxamine
ME540023
-
C00534
5.9
169.0971776
Guanidinoacetate
Guanidoacetic acid
ME539937
-
C00581
7.6
118.0611265
Phosphorylcholine
Choline phosphate
ME540017
-
C00588
8.2
184.07334
N-Acetylglutamate
N-Acetylglutamic acid
ME539973
-
C00624
8.4
190.0710225
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME539935
-
C00670
7.4
258.1106
Betaine
Betaine
ME539901
-
C00719
5.1
118.0862786
Urocanate
Urocanic acid
ME540051
-
C00785
6.4
139.0502274
Creatinine
Creatinine
ME539917
-
C00791
4.0
114.0662119
Sphinganine
Sphinganine
ME540036
-
C00836
2.8
302.3053795
Pantothenate
Pantothenic acid
ME539986
-
C00864
5.1
220.1179727
3-Methyladenine
3-Methyladenine
ME539874
-
C00913
3.5
150.0774452
Aminoadipate
Aminoadipic acid
ME539891
-
C00956
8.1
162.0761078
O-Acetylserine
O-Acetylserine
ME539982
-
C00979
5.9
148.0604578
Trigonelline
Trigonelline
ME540047
-
C01004
9.0
138.0549785
Phosphoserine
Phosphoserine
ME540018
-
C01005
9.3
186.0162235
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME539879
-
C01017
7.2
221.0920923
4-Guanidinobutanoate
4-Guanidinobutanoic acid
ME539876
-
C01035
7.3
146.0924266
N-Methylglutamate
N-Methyl-glutamic acid
ME539981
-
C01046
7.2
162.076109
Theanine
N(5)-Ethyl-glutamine
ME540040
-
C01047
6.8
175.1077423
O-Succinyl homoserine
o-Succinylhomoserine
ME539985
-
C01118
7.4
220.0815872
1-Methylhistidine
1-Methylhistidine
ME539866
-
C01152
6.7
170.0924266
trans-4-Hydroxyproline
trans-4-Hydroxyproline
ME540046
-
C01157
7.0
132.0655432
Deoxycarnitine
3-Dehydroxycarnitine
ME539922
-
C01181
6.4
146.11758
1-Aminocyclopropanecarboxylate
1-Aminocyclopropanecarboxylic acid
ME539864
-
C01234
7.0
102.0549785
Anserine
Anserine
ME539894
-
C01262
7.3
241.1295404
Cys-Gly
Cys-Gly
ME539918
-
C01419
8.0
179.0485129
Tyrosine
Tyrosine
ME540050
-
C01536
6.5
182.0811932
Kynurenate
Kynurenic acid
ME539950
-
C01717
3.9
190.0498931
Homoarginine
Homoarginine
ME539944
-
C01924
11.9
189.1346
Phenylalanine
Phenylalanine
ME540015
-
C02057
5.1
166.0862786
Cystathionine
Cystathionine
ME539919
-
C02291
8.9
223.0747276
5-Methylcytosine
5-Methylcytosine
ME539880
-
C02376
4.4
126.0662119
1-Methyladenosine
1-Methyladenosine
ME539865
-
C02494
3.0
282.119704
Acetylcarnitine
CAR 2:0
ME539883
-
C02571
5.1
204.123058
4-Imidazoleacetate
Imidazoleacetic acid
ME539877
-
C02835
6.7
127.0502274
Carnitine (8:0)
CAR 8:0
ME539911
-
C02838
3.0
288.2169584
Diphthamide
-
ME539926
-
C02872
11.3
298.1879147
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME539875
-
C02946
5.2
146.0811932
Carnitine (16:0)
CAR 16:0
ME539905
-
C02990
2.5
400.342159
Carnitine (3:0)
CAR 3:0
ME539908
-
C03017
5.0
218.1387
Guanidinosuccinate
Guanidinosuccinic acid
ME539938
-
C03139
8.4
176.0666058
Argininosuccinate
Argininosuccinic acid
ME539897
-
C03406
9.2
291.1299
S-Acetylthioethanolamine
-
ME540026
-
C03537
6.0
120.0478
Ciliatine
Ciliatine
ME539914
-
C03557
8.5
126.0314796
N,N-Dimethylarginine
Dimethylarginine
ME539970
-
C03626
10.8
203.150276
N,N,N-Trimethyllysine
N-6-Trimethyllysine
ME539969
-
C03793
11.3
189.1597779
N6-(delta2-Isopentenyl)-adenine
N6-Isopentenyladenine
ME539972
-
C04083
5.4
204.124395
2-(3-Carboxy-3-aminopropyl)-histidine
-
ME539868
-
C04441
6.9
257.124455
Platelet-activating factor
-
ME540020
-
C04598
1.6
524.3710896
Aminoisobutanoate
3-Aminoisobutanoic acid
ME539893
-
C05145
6.8
104.0706285
Deoxyadenosine
Deoxyadenosine
ME539920
-
C05198
3.0
252.1091393
2-Quinolinecarboxylate
Quinaldic acid
ME539869
-
C06325
3.8
174.0549785
Quinoline
Quinoline
ME540025
-
C06413
6.0
130.0651492
1-Phenylethanol
1-Phenylethanol
ME539867
-
C07112
1.7
123.0804649
Stachydrine
Stachydrine
ME540038
-
C10172
5.0
144.1019287
N-alpha-Acetyllysine
N(2)-Acetyllysine
ME539978
-
C12989
7.4
189.1233924
Proline
Proline
ME540021
-
C16435
6.0
116.0706285
5-Hydroxylysine
5-Hydroxylysine
ME539878
-
C16741
12.3
163.1077423
Oleamide
Oleamide
ME539983
-
C19670
2.0
282.2791647
3-Hydroxycarnitine (4:0)
-
ME539870
-
-
5.4
248.1492728
3-Hydroxycarnitine (5:0)
-
ME539871
-
-
5.3
262.1649228
3-Hydroxycarnitine (6:0)
-
ME539872
-
-
4.4
276.1805729
3-Hydroxycarnitine (8:0)
-
ME539873
-
-
3.7
304.211873
6-Phosphonogluconolactone
-
ME539881
-
-
11.0
259.0213685
Acetylaminoadipate
-
ME539882
-
-
9.0
204.0866725
Adenine
Adenine
ME539884
-
-
-
-
Ala-Tyr
Ala-Tyr
ME539890
-
-
4.9
253.118307
Aminocaprylate
-
ME539892
-
-
4.1
160.1332288
Arg-Ala
Arg-Ala
ME539895
-
-
8.6
246.1560895
Aspartylglycosamine
Aspartylglycosamine
ME539899
-
-
8.5
336.1401647
Asp-Pro
Asp-Pro
ME539900
-
-
7.7
231.0975716
Carnitine (12:0)
CAR 12:0
ME539903
-
-
2.7
344.2795587
Carnitine (14:0)
CAR 14:0
ME539904
-
-
2.6
372.3108588
Carnitine (16:1)
CAR 16:1
ME539906
-
-
2.6
398.3265089
Carnitine (18:1)
CAR 18:1
ME539907
-
-
2.0
426.357809
Carnitine (5:0)
CAR 5:0
ME539909
-
-
3.7
246.1700082
Carnitine (6:0)
CAR 6:0
ME539910
-
-
3.3
260.1856583
Carnitine (glutaryl)
-
ME539912
-
-
7.1
276.144189
Deoxyadenosine diphosphate
dADP
ME539921
-
-
-
-
Deoxyinosine monophosphate
dIMP
ME539925
-
-
-
-
Formylglycine
N-Formylglycine
ME539927
-
-
6.4
104.034244
Glu-Gln
Glu-Gln
ME539930
-
-
8.5
276.1190353
Glu-Pro
Glu-Pro
ME539931
-
-
8.3
245.1132216
Indole-3-acrylate
Indoleacrylic acid
ME539948
-
-
5.8
188.0706285
Leu-Leu
Leu-Leu
ME539953
-
-
1.9
245.1859926
Leu-Pro
Leu-Pro
ME539954
-
-
4.5
229.1546925
Lyso-PC (16:0)
LPC 16:0
ME539956
-
-
2.0
496.3397895
Lyso-PC (17:0)
LPC 17:0
ME539957
-
-
2.0
510.3554395
Lyso-PC (18:0)
LPC 18:0
ME539958
-
-
2.0
524.3710896
Lyso-PC (18:1)
LPC 18:1
ME539959
-
-
2.0
522.3554395
Lyso-PC (18:2)
LPC 18:2
ME539960
-
-
2.0
520.3397895
Lyso-PC (22:4)
LPC 22:4
ME539961
-
-
2.0
572.3710896
Lyso-PE (16:0)
LPE 16:0
ME539962
-
-
2.0
454.2928393
Lyso-PE (18:0)
LPE 18:0
ME539963
-
-
2.0
482.3241394
Lyso-PE (18:1)
LPE 18:1
ME539964
-
-
2.0
480.3084893
Lyso-PE (20:4)
LPE 20:4
ME539965
-
-
2.0
502.2928393
Met-Leu
Met-Leu
ME539968
-
-
3.2
263.1424133
N,N-Dimethyllysine
-
ME539971
-
-
10.7
175.1441278
PC (32:0)
PC 32:0
ME539987
-
-
1.3
734.5694551
PC (32:1)
PC 32:1
ME539988
-
-
1.3
732.553805
PC (32:2)
PC 32:2
ME539989
-
-
1.3
730.5381549
PC (34:1)
PC 34:1
ME539990
-
-
1.3
760.5851051
PC (34:2)
PC 34:2
ME539991
-
-
1.3
758.5694551
PC (36:1)
PC 36:1
ME539992
-
-
1.3
788.6164052
PC (36:2)
PC 36:2
ME539993
-
-
1.3
786.6007552
PC (36:4)
PC 36:4
ME539994
-
-
1.3
782.5694551
PC (36:5)
PC 36:5
ME539995
-
-
1.3
780.553805
PC (38:4)
PC 38:4
ME539996
-
-
1.3
810.6007552
PC (38:5)
PC 38:5
ME539997
-
-
1.3
808.5851051
PC (40:4)
PC 40:4
ME539998
-
-
1.3
838.6320553
PC (40:5)
PC 40:5
ME539999
-
-
1.3
836.6164052
PC (40:6)
PC 40:6
ME540000
-
-
1.3
834.6007552
PC (40:8)
PC 40:8
ME540001
-
-
1.3
830.5694551
PC (44:8)
PC 44:8
ME540002
-
-
1.3
886.6320553
PE (32:0)
PE 32:0
ME540003
-
-
1.3
692.5225053
PE (34:1)
PE 34:1
ME540004
-
-
1.3
718.5381554
PE (34:2)
PE 34:2
ME540005
-
-
1.3
716.5225053
PE (36:1)
PE 36:1
ME540006
-
-
1.3
746.5694555
PE (36:2)
PE 36:2
ME540007
-
-
1.3
744.553805
PE (36:3)
PE 36:3
ME540008
-
-
1.3
742.5381549
PE (38:1)
PE 38:1
ME540009
-
-
1.3
774.6007552
PE (38:3)
PE 38:3
ME540010
-
-
1.3
770.5694551
PE (38:4)
PE 38:4
ME540011
-
-
1.3
768.553805
PE (38:6)
PE 38:6
ME540012
-
-
1.3
764.5225049
PE (40:5)
PE 40:5
ME540013
-
-
1.3
794.5694551
PE (40:7)
PE 40:7
ME540014
-
-
1.3
790.5381549
Ser-Arg
Ser-Arg
ME540029
-
-
8.5
262.1510041
SM (d18:1/14:0)
SM 18:1;O2/14:0
ME540031
-
-
1.5
675.5435747
SM (d18:1/16:0)
SM 18:1;O2/16:0
ME540032
-
-
1.5
703.5748748
SM (d18:1/18:0)
SM 18:1;O2/18:0
ME540033
-
-
1.5
731.6061754
SM (d18:1/18:1)
SM 18:1;O2/18:1
ME540034
-
-
1.5
729.5905248
Thr-Arg
Thr-Arg
ME540042
-
-
8.0
276.1666542
Thymidine diphosphate
-
ME540045
-
-
-
-
Tyr-Arg
Tyr-Arg
ME540049
-
-
7.1
338.1823042
Val-Lys
Val-Lys
ME540052
-
-
11.6
246.1812416
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
NADH
NADH
ME540175
-
C00004
8.2
664.1174717
Adenosine diphosphate
ADP
ME540074
-
C00008
8.9
426.0221147
Uridine diphosphate
UDP
ME540225
-
C00015
9.7
402.9948969
Pyruvate
Pyruvic acid
ME540200
-
C00022
5.0
87.0087
alpha-Ketoglutarate
2-Oxoglutaric acid
ME540079
-
C00026
9.2
145.0142233
UDP-glucose
UDP-glucose
ME540219
-
C00029
9.4
565.0477204
Guanosine diphosphate
GDP
ME540136
-
C00035
10.4
442.0170294
Succinate
Succinic acid
ME540210
-
C00042
8.8
117.0193087
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME540220
-
C00043
8.8
606.0742695
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME540188
-
C00074
10.7
166.9750744
Uridine triphosphate
UTP
ME540227
-
C00075
10.5
482.9612274
Fructose 6-phosphate
Fructose 6-phosphate
ME540117
-
C00085
9.0
259.0224185
Glucose 6-phosphate
Glucose 6-phosphate
ME540125
-
C00092
9.4
259.0224185
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME540130
-
C00093
8.5
171.0063745
Guanosine diphosphate mannose
GDP-mannose
ME540137
-
C00096
10.3
604.0698528
Uridine monophosphate
UMP
ME540226
-
C00105
8.6
323.0285665
Uracil
Uracil
ME540221
-
C00106
3.2
111.0199774
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME540103
-
C00111
9.0
168.9907245
Pentoses
Ribose
ME540186
-
C00121
6.3
149.0455234
Fumarate
Fumaric acid
ME540118
-
C00122
9.3
115.0036586
Inosine monophosphate
IMP
ME540151
-
C00130
8.7
347.0397999
Deoxyadenosine triphosphate
dATP
ME540089
-
C00131
9.2
489.9935305
Myoinositol
Myo-inositol
ME540161
-
C00137
8.4
179.0560881
Guanosine monophosphate
GMP
ME540138
-
C00144
9.3
362.050699
Malate
Malic acid
ME540157
-
C00149
9.3
133.0142233
Citrate/Isocitrate
Citric acid/Isocitric acid
ME540085
-
C00158/C00311
11.0
191.0197026
Phenylpyruvate
Phenylpyruvic acid
ME540187
-
C00166
2.7
163.0400441
Thymine
Thymine
ME540217
-
C00178
2.6
125.0356274
Gluconolactone
Gluconolactone
ME540122
-
C00198
4.5
177.0404381
Ribulose/Ribose/Xylulose 5-phosphate
-
ME540204
-
C00199/C00117/C00231
8.9
229.0118538
Oxalate
Oxalic acid
ME540181
-
C00209
11.2
88.98800855
Deoxycytidine monophosphate
dCMP
ME540091
-
C00239
8.4
306.0496363
FA (16:0)
Palmitic acid
ME540109
-
C00249
1.6
255.2329
Riboflavin
Riboflavin
ME540203
-
C00255
3.9
375.1309844
Gluconate
Gluconic acid
ME540121
-
C00257
7.8
195.0510027
Glucose
Glucose
ME540124
-
C00267
6.8
179.0560881
Orotate
Orotic acid
ME540180
-
C00295
5.7
155.0098066
Uridine
Uridine
ME540224
-
C00299
4.3
243.0622361
Adenosine diphosphate ribose
ADP-ribose
ME540075
-
C00301
8.6
558.0643735
Oxoadipate
Oxoadipic acid
ME540182
-
C00322
8.7
159.029875
Dihydroorotate
4,5-Dihydroorotic acid
ME540102
-
C00337
6.6
157.0254567
6-Phosphogluconate
6-Phosphogluconic acid
ME540071
-
C00345
10.4
275.0173331
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME540123
-
C00352
9.1
258.0384029
Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME540116
-
C00354
11.2
338.9887489
Deoxyguanosine diphosphate
dGDP
ME540093
-
C00361
9.9
426.0221147
Thymidine monophosphate
dTMP
ME540215
-
C00364
7.4
321.049302
Deoxyuridine monophosphate
dUMP
ME540100
-
C00365
7.9
307.0336519
Urate
Uric acid
ME540222
-
C00366
7.2
167.02104
Malonate
Malonic acid
ME540158
-
C00383
8.9
103.0036586
Xanthine
Xanthine
ME540229
-
C00385
5.3
151.0261254
Mevalonate
Mevalonic acid
ME540160
-
C00418
5.1
147.06626
N-Acetylornithine
N-Acetylornithine
ME540171
-
C00437
7.2
173.0931
Deoxyuridine triphosphate
dUTP
ME540101
-
C00460
9.9
466.9663127
Acetoin
Acetoin
ME540072
-
C00466
8.6
87.04513
Ribitol
Ribitol
ME540202
-
C00474
6.0
151.0611735
Cytidine
Cytidine
ME540087
-
C00475
5.5
244.0928205
Glutarate
Glutaric acid
ME540128
-
C00489
8.6
131.0349587
Itaconate
Itaconic acid
ME540152
-
C00490
8.7
129.0193087
Erythritol
Erythritol
ME540105
-
C00503
5.2
121.0506088
Deoxyuridine
Deoxyuridine
ME540098
-
C00526
3.3
227.0673215
CDP-ethanolamine
CDP-Ethanolamine
ME540084
-
C00570
8.8
445.0530805
2-/3-Phosphoglycerate
Phosphoglyceric acid
ME540055
-
C00597/C00631
9.9
184.9856391
3-Sulfinoalanine
3-Sulfino-alanine
ME540068
-
C00606
8.0
152.0022784
Indoleacetaldehyde
Indoleacetaldehyde
ME540149
-
C00637
2.5
158.0611139
Xanthosine monophosphate
XMP
ME540231
-
C00655
10.6
363.034719
Glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate
ME540129
-
C00661
9.7
168.990728
Deoxycytidine diphosphate
dCDP
ME540090
-
C00705
9.5
386.0159667
FA (18:1)
Octadecenoic acid
ME540112
-
C00712
1.3
281.2486
Hexitols
-
ME540140
-
C00749
6.7
181.0717382
Salicylate
Salicylic acid
ME540207
-
C00805
2.7
137.0243941
dTDP-glucose
dTDP-glucose
ME540104
-
C00842
8.4
563.0684558
4-Pyridoxate
4-Pyridoxic acid
ME540069
-
C00847
2.5
182.0458578
Galactarate
Galactaric acid
ME540119
-
C00879
9.8
209.0302673
Tartrate
Tartaric acid
ME540212
-
C00898
9.8
149.0091379
Oxohexanoic acid
2-Ketocaproic acid
ME540183
-
C00902
1.9
129.0556942
Indole-3-acetate
Indoleacetic acid
ME540148
-
C00954
4.9
174.0560285
N-Acetylaspartate
N-Acetylaspartic acid
ME540164
-
C01042
8.6
174.0407724
2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME540058
-
C01087
9.0
147.0298734
3-Hydroxybutyrate
3-Hydroxybutyric acid
ME540064
-
C01089
5.7
103.0400441
3-(4-Hydroxyphenyl)pyruvate
4-Hydroxyphenylpyruvic acid
ME540062
-
C01179
4.7
179.0349587
3-(2-Hydroxyphenyl)propanoate
3-(2-Hydroxyphenyl)propanoic acid
ME540061
-
C01198
3.0
165.0556942
Glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME540131
-
C01233
8.2
214.0486
Lactate
Lactic acid
ME540153
-
C01432
5.9
89.02439406
FA (18:0)
Stearic acid
ME540111
-
C01530
1.3
283.2642304
Allantoin
Allantoin
ME540078
-
C01551
6.3
157.0366901
Decanoate
Capric acid
ME540088
-
C01571
2.0
171.1390299
Hippurate
Hippuric acid
ME540141
-
C01586
3.9
178.0509432
Lumichrome
Lumichrome
ME540156
-
C01727
2.4
241.073076
Xanthosine
Xanthosine
ME540230
-
C01762
7.0
283.0683841
Deoxyribose
Deoxyribose
ME540097
-
C01801
5.2
133.0506088
Oxoproline
Oxoproline
ME540184
-
C01879
5.7
128.0352931
Glycocholate
Glycocholic acid
ME540134
-
C01921
3.9
464.3017381
trans-Aconitate
trans-Aconitic acid
ME540218
-
C02341
11.1
173.0091379
Lithocholyltaurine
Taurolithocholic acid
ME540155
-
C02592
2.4
482.2945442
3-Dehydroshikimate
3-Dehydroshikimate
ME540063
-
C02637
6.9
171.0298734
6-Carboxyhexanoate
Pimelic acid
ME540070
-
C02656
7.9
159.06626
Glucuronolactone
Glucuronolactone
ME540126
-
C02670
4.4
175.024788
FA (12:0)
Lauric acid
ME540107
-
C02679
1.3
199.17033
N-Acetylleucine
N-Acetylleucine
ME540169
-
C02710
3.3
172.0978934
N-Acetylmethionine
N-Acetylmethionine
ME540170
-
C02712
3.7
190.054314
Hydroxy-FA (10:0)
10-Hydroxydecanoic acid
ME540142
-
C02774
2.5
187.133945
N-Formylmethionine
N-Formylmethionine
ME540176
-
C03145
4.2
176.0386639
1-Hydroxy-2-naphthoate
1-Hydroxy-2-naphthoate
ME540053
-
C03203
2.5
187.040045
3-Methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME540067
-
C03465
2.7
129.0556942
N-Acetylphenylalanine
N-Acetylphenylalanine
ME540172
-
C03519
3.2
206.0822433
2',4'-Dihydroxyacetophenone
2',4'-Dihydroxyacetophenone
ME540054
-
C03663
1.8
151.0400441
Hydroxyphenyllactate
Hydroxyphenyllactic acid
ME540147
-
C03672
5.2
181.0506088
Quinolinate
Quinolinic acid
ME540201
-
C03722
9.0
166.0145577
3-Hydroxymethylglutarate
3-Hydroxymethylglutaric acid
ME540065
-
C03761
8.3
161.0455234
N-Acetylhexosamine sulfate
-
ME540168
-
C03953
6.7
300.0394518
Nicotinamide hypoxanthine dinucleotide
Nicotinamide purin-6-ol-dinucleotide
ME540177
-
C04423
8.3
663.08584
Sedoheptulose 7-phosphate
Sedoheptulose 7-phosphate
ME540208
-
C05382
9.4
289.033
Glycochenodeoxycholate
Glycochenodeoxycholic acid
ME540133
-
C05466
3.2
448.306824
Deoxyinosine
Deoxyinosine
ME540094
-
C05512
4.6
251.0785549
2-Hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME540059
-
C05852
3.7
151.0400441
2-Hydroxybutyrate
2-Hydroxybutyric acid
ME540057
-
C05984
4.5
103.0400441
Adipate
Adipic acid
ME540076
-
C06104
8.3
145.0506088
Aniline-2-sulfonate
2-Aminobenzenesulfonic acid
ME540080
-
C06333
4.5
172.007366
FA (8:0)
Caprylic acid
ME540115
-
C06423
1.2
143.1077298
FA (14:0)
Myristic acid
ME540108
-
C06424
1.6
227.2016
FA (20:0)
Arachidic acid
ME540113
-
C06425
1.3
311.2955305
Psicose
Psicose
ME540199
-
C06468
5.5
179.05609
Acetylacrylate
-
ME540073
-
C07091
7.0
113.0243941
Azelate
Azelaic acid
ME540082
-
C08261
7.0
187.097559
Suberate
Suberic acid
ME540209
-
C08278
7.5
173.0819089
FA (16:1)
Hexadecenoic acid
ME540110
-
C08362
1.7
253.2172802
Hydroxy-FA (18:1)
Ricinelaidic acid
ME540143
-
C08365
1.6
297.243495
Indoxyl sulfate
Indoxyl sulfate
ME540150
-
C08481
4.1
212.0022784
Sulfolactate
3-Sulfolactic acid
ME540211
-
C11537
10.5
168.9812
Cyclic ADP-ribose
Cyclic ADP-ribose
ME540086
-
C13050
8.2
540.0538
P-DMEA
N,N-Dimethylethanolamine phosphate
ME540185
-
C13482
8.0
168.0430944
Aspartate
Aspartic acid
ME540081
-
C16433
8.2
132.0302077
Valine
Valine
ME540228
-
C16436
6.1
116.0716786
FA (20:2)
Eicosadienoic acid
ME540114
-
C16525
1.3
307.2642304
Deoxypentose monophosphates
-
ME540096
-
C16637
8.0
213.0169392
2-Mannosyl-3-phosphoglycerate
-
ME540060
-
C16699
8.7
347.0384625
Hydroxy-FA (8:0)
3S-Hydroxyoctanoic acid
ME540146
-
C20793
1.6
159.1026
Ophthalmate
Ophthalmic acid
ME540179
-
C21016
7.4
288.1200854
2-Hydroxy-4-(methylthio)butanoate
2-Hydroxy-4-(methylthio)butanoic acid
ME540056
-
-
3.5
149.0277649
3-Methyl-2-oxindole
3-Methyloxindole
ME540066
-
-
7.3
146.061114
Ala-Leu
Ala-Leu
ME540077
-
-
4.3
201.1244424
cadaverine
Cadaverine
ME540083
-
-
-
-
Deoxycytidine triphosphate
dCTP
ME540092
-
-
-
-
Deoxyinosine diphosphate
-
ME540095
-
-
-
-
Deoxyuridine diphosphate
dUDP
ME540099
-
-
-
-
Ethylmalonate
Ethylmalonic acid
ME540106
-
-
6.9
131.0349587
Glu-Asp
Glu-Asp
ME540120
-
-
8.6
261.0728008
Glu-Glu
Glu-Glu
ME540127
-
-
9.8
275.0884509
Glycerophosphoinositol
sn-Glycero-3-phosphoinositol
ME540132
-
-
8.7
333.059198
Gly-Leu
Gly-Leu
ME540135
-
-
5.3
187.1087924
Guanosine triphosphate
GTP
ME540139
-
-
-
-
Hydroxy-FA (6:0)
-
ME540144
-
-
1.6
131.0713443
Hydroxy-FA (7:0)
-
ME540145
-
-
1.6
145.0869943
Leu-Val
Leu-Val
ME540154
-
-
3.3
229.1557426
Methyglutarate
Methylglutaric acid
ME540159
-
-
8.2
145.0506088
N-Acetylalanine
N-Acetylalanine
ME540162
-
-
5.1
130.0509432
N-Acetylasparagine
N-Acetylasparagine
ME540163
-
-
6.7
173.0567568
N-Acetylcysteine
N-Acetylcysteine
ME540165
-
-
4.6
162.0230138
N-Acetylglycine
N-Acetylglycine
ME540166
-
-
5.7
116.0352931
N-Acetylhexosamine phosphate
-
ME540167
-
-
8.6
300.0489676
N-Acetylserine
N-Acetylserine
ME540173
-
-
6.4
146.0458578
N-Acetyltryptophan
N-Acetyl-tryptophan
ME540174
-
-
4.2
245.0931423
N-Undecanoylglycine
N-Undecanoylglycine
ME540178
-
-
2.5
242.1761437
PI (32:0)
PI 32:0
ME540189
-
-
1.3
809.5185291
PS (34:2)
PS 34:2
ME540190
-
-
1.3
758.4977341
PS (36:1)
PS 36:1
ME540191
-
-
1.3
788.5446848
PS (36:4)
PS 36:4
ME540192
-
-
1.3
782.4977341
PS (38:3)
PS 38:3
ME540193
-
-
1.3
812.5446848
PS (38:5)
PS 38:5
ME540194
-
-
1.3
808.5133846
PS (38:6)
PS 38:6
ME540195
-
-
1.3
806.4977346
PS (40:5)
PS 40:5
ME540196
-
-
1.3
836.5446848
PS (40:6)
PS 40:6
ME540197
-
-
1.3
834.5290347
PS (40:7)
PS 40:7
ME540198
-
-
1.3
832.5133846
Saccharopine
Saccharopine
ME540205
-
-
-
-
Salicylamide
Salicylamide
ME540206
-
-
1.8
136.0403785
Thioproline
Thioproline
ME540213
-
-
5.0
132.0124492
Threonate
Threonic acid
ME540214
-
-
7.4
135.0298734
Thymidine triphosphate
-
ME540216
-
-
-
-
Ureidosuccinate
-
ME540223
-
-
10.0
175.0360214
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