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 ST000751 main page
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
N-FORMYLGLYCINE (M-H)-
N-Formylglycine
ME208095
75606
-
0.646
103.0257
MALONIC ACID (M-H)-
Malonic acid
ME208076
867
-
0.841
104.0098
2-HYDROXYBUTYRIC ACID (M-H)-
2-Hydroxybutyric acid
ME207946
11266
-
1.742
104.0471
SERINE (M-H)-
Serine
ME208127
617
-
0.605
105.0409
URACIL (M-H)-
Uracil
ME208153
1174
-
0.939
112.0272
FUMARIC ACID (M-H)-
Fumaric acid
ME208026
444972
-
1.254
116.0108
FUMARIC ACID (2M-H)-
Fumaric acid
ME208025
444972
-
1.26
116.011
MALEIC ACID (M-H)-
Maleic acid
ME208073
444266
-
1.11
116.011
N-ACETYLGLYCINE (M-H)-
N-Acetylglycine
ME208092
1097
-
0.918
117.0408
VALINE (M-H)-
Valine
ME208160
6287
-
0.856
117.0767
METHYLMALONIC ACID (M-H)-
Methylmalonic acid
ME208080
487
-
1.529
118.0264
SUCCINIC ACID (M-H)-
Succinic acid
ME208133
1110
-
1.328
118.0267
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
2-Hydroxy-3-methylbutyric acid
ME207944
853180
-
3.548
118.0627
HOMOSERINE (M-H)-
Homoserine
ME208048
12647
-
0.621
119.0582
PURINE (M-H)-
Purine
ME208116
1044
-
1.469
120.0428
BENZOIC ACID (M-H)-
Benzoic acid
ME207982
243
-
4.982
122.0366
BENZOIC ACID #2 (M-H)-
Benzoic acid
ME207981
243
-
8.407
122.0368
TAURINE (M-H)-
Taurine
ME208135
1123
-
0.612
125.015
THYMINE (M-H)-
Thymine
ME208140
1135
-
1.713
126.0419
5-OXOPROLINE (M-H)-
Pyroglutamic acid
ME207966
7405
-
1.2
129.0419
2-METHYLMALEIC ACID (M-H)-
Citraconic acid
ME207948
643798
-
1.843
130.0261
2-METHYLMALEIC ACID #2 (M-H)-
Citraconic acid
ME207947
643798
-
2.378
130.0265
3-METHYL-2-OXOPENTANOIC ACID (M-H)-
3-Methyl-2-oxovaleric acid
ME207954
440877
-
4.476
130.0627
4-METHYL-2-OXOPENTANOIC ACID (M-H)-
Ketoleucine
ME207959
70
-
4.888
130.0628
N-ACETYL-L-ALANINE (M-H)-
N-Acetylalanine
ME208089
88064
-
1.514
131.0577
CREATINE (M-H)-
Creatine
ME207997
586
-
0.657
131.0674
ISOLEUCINE (M-H)-
Isoleucine
ME208058
6306
-
1.624
131.0939
OXALOACETIC ACID (M-H)-[-H2O]
Oxaloacetic acid
ME208104
970
-
0.564
132.0035
ETHYLMALONIC ACID (M-H)-
Ethylmalonic acid
ME208024
11756
-
2.85
132.0411
GLUTARIC ACID (M-H)-
Glutaric acid
ME208035
743
-
2.075
132.0417
3-UREIDOPROPIONIC ACID (M-H)-
Ureidopropionic acid
ME207955
111
-
0.893
132.0518
ASPARAGINE (M-H)-
Asparagine
ME207977
6267
-
0.601
132.0528
ASPARTIC ACID (M-H)-
Aspartic acid
ME207978
5960
-
0.622
133.0369
MALIC ACID (M-H)-
Malic acid
ME208075
222656
-
0.843
134.0207
MALIC ACID (M-H)+[-H2O]
Malic acid
ME208074
222656
-
0.822
134.0215
HYPOXANTHINE (M-H)-
Hypoxanthine
ME208052
790
-
1.096
136.0381
4-HYDROXYBENZOIC ACID (M-H)-
4-Hydroxybenzoic acid
ME207957
135
-
4.107
138.0311
UROCANIC ACID (M-H)-
Urocanic acid
ME208159
736715
-
0.933
138.042
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
2-Aminobenzoic acid
ME208066
227
-
5.381
138.0444
4-NITROPHENOL (M-H)-
4-Nitrophenol
ME207960
980
-
7.105
139.0266
ETHANOLAMINE PHOSPHATE (M-H)-
Phosphoethanolamine
ME208023
1015
-
0.756
141.0185
CAPRYLIC ACID (M-H)-
Caprylic acid
ME207987
379
-
10.167
144.1146
ADIPIC ACID (M-H)-
Adipic acid
ME207970
196
-
3.6
146.0582
GLUTAMINE (M-H)-
Glutamine
ME208034
5961
-
0.602
146.0698
LYSINE (M-H)-
Lysine
ME208070
5962
-
0.536
146.1051
N-ACETYL-DL-SERINE (M-H)-
N-Acetylserine
ME208088
65249
-
0.803
147.0516
GLUTAMIC ACID (M-H)-
Glutamic acid
ME208033
33032
-
0.639
147.0534
DIHYDROXYFUMARIC ACID (M-H)-
(E)-2,3-Dihydroxybut-2-enedioic acid
ME208017
54678503
-
0.733
147.9998
CITRAMALIC ACID (M-H)-
Citramalic acid
ME207992
441696
-
1.277
148.0368
MEVALONIC ACID (M-H)-
Mevalonic acid
ME208081
439230
-
1.556
148.0712
METHIONINE (M-H)-
Methionine
ME208078
6137
-
0.855
149.0484
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-
2-Hydroxy-4-(methylthio)butanoic acid
ME207945
11427
-
3.401
150.0349
RIBOSE (M+CL)-
Ribose
ME208123
5779
-
0.665
150.0505
GUANINE (M-H)-
Guanine
ME208041
764
-
0.878
151.0469
XANTHINE (M-H)-
Xanthine
ME208161
1188
-
1.282
152.0332
4-HYDROXYPHENYLACETIC ACID (M-H)-
4-Hydroxyphenylacetic acid
ME207958
127
-
4.764
152.0461
MANDELIC ACID (M-H)-
Mandelic acid
ME208077
11914
-
5.719
152.0466
RIBITOL (M+CL)-
Ribitol
ME208120
94154
-
0.642
152.0662
L-HISTIDINE (M-H)-
Histidine
ME208064
6274
-
0.593
155.0687
OROTIC ACID (M-H)-
Orotic acid
ME208102
967
-
0.852
156.0153
URACIL 5-CARBOXYLIC ACID (M-H)-
Uracil-5-carboxylic acid
ME208154
6971263
-
1.266
156.019
DIHYDROOROTIC ACID (M-H)-
Dihydroorotic acid
ME208016
1149667
-
0.704
158.0328
ALLANTOIN (M-H)-
Allantoin
ME207972
439714
-
0.655
158.043
PIMELIC ACID (M-H)-
Pimelic acid
ME208113
385
-
5.789
160.0729
L-CARNITINE (M+CL)-
Carnitine
ME208062
10917
-
0.651
161.1043
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-
3-Hydroxymethylglutaric acid
ME207952
1662
-
1.647
162.052
PHENYLPYRUVIC ACID (M-H)-
Phenylpyruvic acid
ME208110
997
-
5.496
164.0458
4-COUMARIC ACID (M-H)-
cis-p-Coumaric acid
ME207956
637542
-
6.983
164.0469
2-DEOXY-D-GLUCOSE (M+CL)-
2-Deoxy-glucose
ME207943
439268
-
0.692
164.0657
PHENYLALANINE (M-H)-
Phenylalanine
ME208109
6140
-
2.553
165.0789
PHTHALIC ACID (M-H)-
Phthalic acid
ME208111
1017
-
4.919
166.0261
URIC ACID (M-H)-
Uric acid
ME208155
1175
-
1.005
168.0278
M-HYDROXYMANDELIC ACID (2M-H)-
3-Hydroxymandelic acid
ME208072
86957
-
2.105
168.0419
GLYCEROL 2-PHOSPHATE (M-H)-
sn-Glycero-2-phosphate
ME208037
2526
-
0.821
172.0128
DECANOIC ACID (M-H)-
Capric acid
ME208005
2969
-
19.952
172.1459
N-ACETYL-L-LEUCINE (M-H)-
N-Acetylleucine
ME208090
75619
-
7.26
173.1046
DEHYDROASCORBIC ACID (M-H)-
Dehydroascorbic acid
ME208007
440667
-
0.709
174.0142
DEHYDROASCORBIC ACID (M+CL)-
Dehydroascorbic acid
ME208006
440667
-
0.712
174.0146
TRANS-ACONITIC ACID (M-H)-
trans-Aconitic acid
ME208141
444212
-
1.21
174.0165
SUBERIC ACID (M-H)-
Suberic acid
ME208132
10457
-
8.36
174.0885
L-ARGININE (M-H)-
Arginine
ME208061
6322
-
0.61
174.1126
N-ACETYL-ASPARTIC ACID (M-H)-
N-Acetylaspartic acid
ME208084
65065
-
0.979
175.0469
N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O]
Guanidinosuccinic acid
ME208094
439918
-
0.656
175.0628
CITRULLINE (M-H)-
Citrulline
ME207994
9750
-
0.629
175.0956
TRICARBALLYLIC ACID (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME208143
14925
-
1.385
176.0291
TRICARBALLYLIC ACID (M-H)-
1,2,3-Propanetricarboxylic acid
ME208142
14925
-
1.277
176.0301
HIPPURIC ACID (M-H)-
Hippuric acid
ME208047
464
-
4.864
179.0578
D-GLUCOSAMINE (M+CL)-
Glucosamine
ME208002
439213
-
0.727
179.0787
3-(4-HYDROXYPHENYL)PYRUVIC ACID (M-H)-
4-Hydroxyphenylpyruvic acid
ME207951
979
-
2.765
180.0439
THEOPHYLLINE (M-H)-
Theophylline
ME208136
2153
-
4.375
180.062
GLUCOSE (M+CL)-
Glucose
ME208031
5793
-
0.64
180.0626
TYROSINE (M-H)-
Tyrosine
ME208148
6057
-
1.349
181.0731
HOMOVANILLIC ACID (M-H)-
Homovanillic acid
ME208050
1738
-
5.789
182.0564
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-
Hydroxyphenyllactic acid
ME207950
440177
-
3.859
182.0572
HOMOVANILLIC ACID (2M-H)-
Homovanillic acid
ME208049
1738
-
5.787
182.0586
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)-
Hydroxyphenyllactic acid
ME207949
440177
-
3.857
182.0605
4-PYRIDOXIC ACID (M-H)-
4-Pyridoxic acid
ME207961
6723
-
1.907
183.0523
AZELAIC ACID (M-H)-
Azelaic acid
ME207979
2266
-
10.857
188.1044
KYNURENIC ACID (M-H)-
Kynurenic acid
ME208059
3845
-
5.024
189.0418
5-HYDROXYINDOLEACETIC ACID (M-H)-
5-Hydroxyindoleacetic acid
ME207963
1826
-
4.172
191.0608
N-ACETYL-DL-METHIONINE (M-H)-
N-Acetylmethionine
ME208087
448580
-
4.119
191.0613
ISOCITRIC ACID (M-H)-
Isocitric acid
ME208057
5318532
-
0.695
192.0242
CITRIC ACID (M-H)-
Citric acid
ME207993
311
-
1.039
192.0256
GLUCURONIC ACID (M-H)-
Glucuronic acid
ME208032
94715
-
0.635
194.0411
METHYL BETA-D-GALACTOSIDE (M+CL)-
Methyl beta-D-galactoside
ME208079
94214
-
0.894
194.0773
GLUCONIC ACID (M-H)-
Gluconic acid
ME208030
10690
-
0.646
196.0575
LAURIC ACID (M-H)-
Lauric acid
ME208067
3893
-
21.811
200.1771
SEBACIC ACID (M-H)-
Sebacic acid
ME208126
5192
-
12.852
202.1198
TRYPTOPHAN (M-H)-
Tryptophan
ME208147
6305
-
3.683
204.0861
TRYPTOPHAN (2M-H)-
Tryptophan
ME208146
6305
-
3.689
204.0887
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME208065
16217285
-
3.686
206.0838
N-ACETYL-L-PHENYLALANINE (M-H)-
N-Acetylphenylalanine
ME208091
74839
-
7.808
207.0906
KYNURENINE (M-H)-
Kynurenine
ME208060
161166
-
2.23
208.0832
GALACTARIC ACID (M-H)-
Galactaric acid
ME208027
3037582
-
0.687
210.0386
TRIDECANOIC ACID (M-H)-
Tridecylic acid
ME208145
12530
-
22.147
214.1922
OMEGA-HYDROXYDODECANOIC ACID (M-H)-
12-Hydroxy lauric acid
ME208101
79034
-
17.143
216.1717
O-SUCCINYL-L-HOMOSERINE (M-H)-
o-Succinylhomoserine
ME208099
439406
-
0.97
219.073
PANTOTHENIC ACID (M+CL)-
Pantothenic acid
ME208107
6613
-
3.315
219.1102
PANTOTHENIC ACID (M-H)-
Pantothenic acid
ME208108
6613
-
3.317
219.1108
ZEATIN [ISTD] (M+CL)-
trans-Zeatin
ME208164
449093
-
3.899
219.1113
ZEATIN [ISTD] (M-H)-
trans-Zeatin
ME208165
449093
-
3.904
219.1117
5-HYDROXYTRYPTOPHAN (M-H)-
5-Hydroxy-tryptophan
ME207964
439280
-
1.794
220.0828
N-ACETYL-D-GLUCOSAMINE (M+CL)-
N-Acetylglucosamine
ME208085
446101
-
0.671
221.0866
3-HYDROXYKYNURENINE (M-H)-
Hydroxykynurenine
ME207953
11811
-
1.199
224.0801
MYRISTOLEIC ACID (M-H)-
Myristoleic acid
ME208083
5281119
-
22.163
226.1925
DEOXYURIDINE (M-H)-
Deoxyuridine
ME208013
13712
-
1.692
228.0733
DEOXYURIDINE (M+CL)-
Deoxyuridine
ME208012
13712
-
1.669
228.0741
MYRISTIC ACID (M-H)-
Myristic acid
ME208082
11005
-
22.479
228.2086
RIBOSE 5-PHOSPHATE (M-H)-
Ribose 5-phosphate
ME208124
439167
-
0.647
230.0176
CYSTINE (M-H)-
Cystine
ME207998
6857538
-
0.641
240.0244
THYMIDINE (M-H)-
Thymidine
ME208138
5789
-
2.785
242.0894
THYMIDINE (M+CL)-
Thymidine
ME208137
5789
-
2.783
242.09
CYTIDINE (M+CL)-
Cytidine
ME207999
6175
-
0.688
243.0812
L-FUCOSE 1-PHOSPHATE (2M-H)-
Fucose 1-phosphate
ME208063
439871
-
0.69
244.0322
URIDINE (M-H)-
Uridine
ME208157
6029
-
1.371
244.0689
URIDINE (M+CL)-
Uridine
ME208156
6029
-
1.365
244.0691
BIOTIN (M-H)-
Biotin
ME207984
11966127
-
6.34
244.0879
N-ACETYL-D-TRYPTOPHAN (M-H)-
N-Acetyl-D-tryptophan
ME208086
439917
-
8.036
246.0998
DEOXYADENOSINE (M+CL)-
Deoxyadenosine
ME208009
13730
-
1.924
251.1028
2'-DEOXYINOSINE (M-H)-
Deoxyinosine
ME207942
65058
-
2.101
252.0853
2'-DEOXYINOSINE (M+CL)-
Deoxyinosine
ME207941
65058
-
2.096
252.0883
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME208106
445638
-
22.614
254.2247
PALMITIC ACID (M-H)-
Palmitic acid
ME208105
985
-
22.868
256.2405
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-
sn-Glycero-3-phosphocholine
ME208128
439285
-
0.626
257.1003
D-GLUCOSAMINE 6-SULFATE (M-H)-[-H2O]
Glucosamine 6-sulfate
ME208003
3330962
-
0.648
259.0344
D-GLUCOSE 6-PHOSPHATE (M-H)-
Glucose 6-phosphate
ME208004
5958
-
0.707
260.0265
INOSINE (M+CL)-
Inosine
ME208053
6021
-
1.844
268.0809
INOSINE (M-H)-
Inosine
ME208054
6021
-
1.844
268.0809
DIETHYLSTILBESTROL (M-H)-
Diethylstilbestrol
ME208015
448537
-
18.86
268.1512
HEPTADECANOIC ACID (M-H)-
Margaric acid
ME208045
10465
-
23.034
270.2555
LINOLEIC ACID (M-H)-
Linoleic acid
ME208069
5280450
-
22.747
280.2404
OLEIC ACID (M-H)-
Oleic acid
ME208100
445639
-
22.949
282.2564
GUANOSINE (M-H)-
Guanosine
ME208043
6802
-
1.833
283.0912
GUANOSINE (M+CL)-
Guanosine
ME208042
6802
-
1.814
283.0928
XANTHOSINE (M-H)-
Xanthosine
ME208162
64959
-
2.38
284.0756
STEARIC ACID (M-H)-
Stearic acid
ME208131
5281
-
23.218
284.2718
5'-METHYLTHIOADENOSINE (M+CL)-
5'-Methylthioadenosine
ME207962
439176
-
4.481
297.0894
RETINOIC ACID (M-H)-
Retinoic acid
ME208119
444795
-
22.339
300.2128
GLYCEROL MYRISTATE (M+CL)-
MG 14:0
ME208038
79050
-
22.079
302.2435
ARACHIDONIC ACID (M-H)-
Arachidonic acid
ME207976
444899
-
22.731
304.2406
ARACHIDONATE #2 (M-H)-
Arachidonic acid
ME207975
444899
-
22.855
304.2407
DUMP (M-H)-
dUMP
ME208020
65063
-
0.984
308.046
N-ACETYLNEURAMINIC ACID (M-H)-
N-Acetylneuraminic acid
ME208093
444885
-
0.68
309.1025
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME207991
5282768
-
23.294
310.2874
PHYTANIC ACID (M-H)-
Phytanic acid
ME208112
10380830
-
23.303
312.2981
ARACHIDIC ACID (M-H)-
Arachidic acid
ME207974
10467
-
23.646
312.3026
GERANYL DIPHOSPHATE (M-H)-
Geranyl diphosphate
ME208029
445995
-
14.209
314.0726
ALLOPREGNANOLONE (M+CL)-[-H2O]
3alpha-Hydroxy-5alpha-pregnan-20-one
ME207973
92787
-
20.914
318.2591
THYMIDINE 5'-MONOPHOSPHATE (M-H)-
TMP
ME208139
12803287
-
1.569
322.0585
URIDINE-5-MONOPHOSPHATE (M-H)-
UMP
ME208158
6030
-
0.856
324.034
DOCOSAHEXAENOIC ACID (M-H)-
Docosahexaenoic acid
ME208019
445580
-
22.712
328.2406
ERUCIC ACID (M-H)-
cis-Erucic acid
ME208022
5281116
-
23.725
338.3184
BEHENIC ACID (M-H)-
Behenic acid
ME207980
8215
-
24.185
340.3338
SUCROSE (M+CL)-
Sucrose
ME208134
5988
-
0.677
342.1137
CORTICOSTERONE (M+CL)-
Corticosterone
ME207995
5753
-
15.528
346.2142
ADENOSINE 5'-MONOPHOSPHATE (M-H)-
AMP
ME207968
6083
-
0.935
347.0609
ADENOSINE 5'-MONOPHOSPHATE (2M-H)+
AMP
ME207967
6083
-
0.936
347.0687
INOSINE 5'-PHOSPHATE (M-H)-
IMP
ME208056
8582
-
0.985
348.0471
TRICOSANOIC ACID (M-H)-
Tricosylic acid
ME208144
17085
-
24.501
354.3491
GUANOSINE 5'-PHOSPHATE (M-H)-
GMP
ME208044
6804
-
0.979
363.0543
XANTHOSINE 5'-PHOSPHATE (M-H)-
XMP
ME208163
73323
-
1.028
364.0451
NERVONIC ACID (M-H)-
Nervonic acid
ME208097
5281120
-
24.26
366.3499
DEHYDROEPIANDROSTERONE SULFATE (M-H)-
Dehydroepiandrosterone sulfate
ME208008
12594
-
15.278
368.1696
LIGNOCERIC ACID (M-H)-
Lignoceric acid
ME208068
11197
-
24.891
368.3649
RIBOFLAVIN (M-H)-
Riboflavin
ME208122
493570
-
7.687
376.1377
RIBOFLAVIN (M+CL)-
Riboflavin
ME208121
493570
-
7.686
376.1409
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-
S-Adenosylhomocysteine
ME208125
439155
-
1.355
384.1271
DEOXYCHOLIC ACID (M+CL)-
Deoxycholic acid
ME208010
222528
-
21.772
392.2908
DEOXYCHOLIC ACID (M-H)-
Deoxycholic acid
ME208011
222528
-
21.766
392.2926
HYODEOXYCHOLIC ACID (M-H)-
Hyodeoxycholic acid
ME208051
5283820
-
22.867
392.2953
HEXACOSANOIC ACID (M-H)-
Cerotic acid
ME208046
10469
-
25.719
396.3974
CORTISOL 21-ACETIC ACID (M+CL)-
Cortisol 21-acetate
ME207996
5744
-
15.786
404.2243
CHOLIC ACID (M+CL)-
Cholic acid
ME207989
221493
-
20.498
408.2868
CHOLIC ACID (M-H)-
Cholic acid
ME207990
221493
-
20.498
408.2874
ADENOSINE 5'-PHOSPHOSULFATE (M-H)-
Adenosine phosphosulfate
ME207969
10238
-
0.671
427.0133
DGDP (M-H)-
dGDP
ME208014
439220
-
1.143
427.0236
INOSINE 5'-DIPHOSPHATE (M-H)-
IDP
ME208055
6831
-
0.764
428.0099
LYSOPHOSPHATIDIC ACID (M-H)-
-
ME208071
3988
-
25.366
436.2535
5-METHYLTETRAHYDROFOLIC ACID (M-H)-
5-Methyl-THF
ME207965
9825434
-
3.712
459.1885
GLYCOCHOLIC ACID (M-H)-
Glycocholic acid
ME208039
10140
-
19.012
465.3089
CHOLESTEROL HYDROGEN SULFATE (M-H)-
Cholesterol sulfate
ME207988
65076
-
23.885
466.312
EPIBRASSINOLIDE [ISTD] (M+CL)-
24-epi-Brassinolide
ME208021
115196
-
19.957
480.345
18:0 LYSO-PE (M-H)-
LPE 18:0
ME207940
9547068
-
22.69
481.3177
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+CL)-
CDP-choline
ME208001
13804
-
0.677
488.1029
CYTIDINE 5'-DIPHOSPHOCHOLINE (2M-H)-
CDP-choline
ME208000
13804
-
0.562
488.1168
16:0 LYSO PC (M+CL)-
LPC 16:0
ME207938
460602
-
22.289
495.334
BIS-GAMMA-GLUTAMYLCYSTINE (M-H)-
Bis-gamma-glutamylcystine
ME207985
90657696
-
0.961
498.1037
RAFFINOSE (M+CL)-
Raffinose
ME208118
439242
-
0.699
504.1644
ADP-RIBOSE (M-H)-
ADP-ribose
ME207971
33576
-
0.863
559.0666
PROTOPORPHYRIN (M-H)-
Protoporphyrin
ME208115
4971
-
22.954
562.2579
UDP-GLUCOSE (M-H)-
UDP-glucose
ME208149
53477679
-
1.196
566.0555
BILIVERDIN (M-H)-
Biliverdin
ME207983
5280353
-
18.696
582.2504
GDPMANNOSE (M-H)-
GDP-mannose
ME208028
18396
-
0.773
605.0741
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)+[-H2O]
UDP-N-acetylgalactosamine
ME208150
23724461
-
0.794
607.076
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-
UDP-N-acetylgalactosamine
ME208151
23724461
-
0.908
607.0808
UDP-N-ACETYL-D-GLUCOSAMINE (M-H)-
UDP-N-acetylglucosamine
ME208152
445675
-
1.208
607.0814
GLUTATHIONE (OXIDIZED) (M-H)-
Glutathione
ME208036
65359
-
1.385
612.1512
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)-
-
ME207986
46891735
-
23.219
643.5007
NAD (M-H)-
NAD
ME208096
5893
-
1.002
663.1075
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M-H)-
Nicotinamide purin-6-ol-dinucleotide
ME208098
440334
-
1.009
664.083
STACHYOSE (M-H)-
Stachyose
ME208130
439531
-
0.809
666.2137
STACHYOSE (M+CL)-
Stachyose
ME208129
439531
-
0.697
666.2209
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)-
PE 16:0/16:0
ME208018
445468
-
24.769
691.5152
PROPENOIC ACID (M-H)-
Propenoic acid
ME208114
6581
-
1.247
72.0217
GLYOXYLIC ACID (M-H)-
Glyoxylic acid
ME208040
760
-
0.679
74
16:0-18:0 PC (M+CL)-
PC 16:0_18:0
ME207939
18631368
-
25.612
761.597
PYRUVIC ACID (M-H)-
Pyruvic acid
ME208117
1060
-
0.688
88.0159
OXALIC ACID (M-H)-
Oxalic acid
ME208103
971
-
0.637
89.9962
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
5-VALEROLACTONE (M+H)+
5-Valerolactone
ME208222
10953
-
2.089
100.0512
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+
1-Aminocyclopropanecarboxylic acid
ME208167
535
-
0.983
101.0472
BIURET (M+H)+
Biuret
ME208250
7913
-
0.796
103.0379
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME208194
64956
-
1.819
103.0639
2-HYDROXYBUTYRIC ACID (M+NA)+
2-Hydroxybutyric acid
ME208186
11266
-
1.772
104.0488
CHOLINE M+
Choline
ME208259
305
-
0.608
104.1079
SERINE (M+H)+
Serine
ME208467
617
-
0.937
105.0414
CYTOSINE (M+NA)+
Cytosine
ME208275
597
-
0.721
111.0417
URACIL (M+H)+
Uracil
ME208503
1174
-
0.93
112.0278
CREATININE (M+H)+
Creatinine
ME208268
588
-
0.479
113.0595
PROLINE (M+H)+
Proline
ME208449
145742
-
0.783
115.0651
GUANIDINOACETIC ACID (M+H)+
Guanidoacetic acid
ME208334
763
-
0.649
117.0556
5-AMINOPENTANOIC ACID (M+H)+
5-Aminopentanoic acid
ME208216
138
-
0.781
117.077
VALINE (M+NA)+
Valine
ME208512
6287
-
0.878
117.078
VALINE (M+H)+
Valine
ME208511
6287
-
0.885
117.0799
2-HYDROXY-3-METHYLBUTYRIC ACID (M+NA)+
2-Hydroxy-3-methylbutyric acid
ME208183
853180
-
3.533
118.0638
THREONINE (M+H)+[-H2O]
Threonine
ME208492
6288
-
0.911
119.0578
HOMOSERINE (M+NA)+
Homoserine
ME208344
12647
-
0.607
119.0586
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]
3-Hydroxybenzaldehyde
ME208199
101
-
4.85
122.0373
BENZOIC ACID (M+H)+
Benzoic acid
ME208242
243
-
4.988
122.0377
NICOTINAMIDE (M+H)+
Niacinamide
ME208416
936
-
1.104
122.0467
TAURINE (M+NA)+
Taurine
ME208482
1123
-
0.604
125.0131
TAURINE (M+K)+
Taurine
ME208481
1123
-
0.604
125.0149
(2-AMINOETHYL)PHOSPHONIC ACID (M+NA)+
Ciliatine
ME208166
339
-
0.873
125.024
3-METHYLHISTAMINE (M+H)+
3-Methylhistamine
ME208204
69520
-
0.545
125.0936
THYMINE (M+H)+
Thymine
ME208496
1135
-
1.718
126.041
N-CYCLOHEXYLFORMAMIDE (M+H)+
N-Cyclohexylformamide
ME208405
13017
-
7.986
127.0998
N-CYCLOHEXYLFORMAMIDE (M+NA)+
N-Cyclohexylformamide
ME208406
13017
-
7.979
127.1001
FLUCYTOSINE (M+H)+
Flucytosine
ME208313
3366
-
0.748
129.035
5-OXOPROLINE (M+H)+
Pyroglutamic acid
ME208221
7405
-
1.196
129.0416
PIPECOLIC ACID (M+H)+
Pipecolic acid
ME208442
849
-
0.905
129.077
2-METHYLMALEIC ACID #2 (M+NA)+
Citraconic acid
ME208187
643798
-
2.435
130.0292
N-ACETYL-L-ALANINE (M+NA)+
N-Acetylalanine
ME208397
88064
-
1.432
131.0558
5-AMINOLEVULINIC ACID (M+NA)+
5-Amino-levulinic acid
ME208215
137
-
0.68
131.0562
4-HYDROXY-L-PROLINE (M+H)+
cis-4-Hydroxyproline
ME208211
440015
-
0.72
131.0578
N-ACETYL-L-ALANINE (M+H)+[-H2O]
N-Acetylalanine
ME208396
88064
-
1.397
131.0584
CREATINE (M+H)+
Creatine
ME208267
586
-
0.742
131.0713
ISOLEUCINE (M+NA)+
Isoleucine
ME208357
6306
-
1.603
131.0939
ISOLEUCINE (M+H)+
Isoleucine
ME208356
6306
-
1.6
131.0949
ASPARAGINE (M+H)+
Asparagine
ME208239
6267
-
0.669
132.0509
ASPARTIC ACID (M+NA)+
Aspartic acid
ME208241
5960
-
0.646
133.0349
ASPARTIC ACID (M+H)+
Aspartic acid
ME208240
5960
-
0.606
133.0357
MALIC ACID (M+NA)+
Malic acid
ME208375
222656
-
0.747
134.0217
VITAMIN B12 (M+2H)+2
Vitamin B12
ME208513
118701016
-
6.95
1354.5703
VITAMIN B12 (M+2NA)+2
Vitamin B12
ME208514
118701016
-
6.936
1354.5704
HYPOXANTHINE (M+H)+
Hypoxanthine
ME208345
790
-
1.096
136.0371
HYPOXANTHINE (M+NA)+
Hypoxanthine
ME208346
790
-
1.095
136.0376
PHENYL ACETATE (M+H)+
Phenyl acetate
ME208438
999
-
3.824
136.0515
N-METHYLNICOTINIC ACID (2M+H)+
Trigonelline
ME208408
5570
-
0.655
137.0472
N-METHYLNICOTINIC ACID (M+H)+
Trigonelline
ME208409
5570
-
0.68
137.0485
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+
Phosphoethanolamine
ME208181
1015
-
0.613
141.0178
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+
Phosphoethanolamine
ME208182
1015
-
0.622
141.0181
L-HISTIDINOL (M+H)+
L-Histidinol
ME208365
165271
-
0.406
141.0908
4-ACETAMIDOBUTANOIC ACID (M+NA)+
4-Acetamidobutanoic acid
ME208207
18189
-
1.754
145.0749
4-GUANIDINOBUTANOIC ACID (M+H)+
4-Guanidinobutanoic acid
ME208209
500
-
0.704
145.0879
3-DEHYDROXYCARNITINE (M+H)+
3-Dehydroxycarnitine
ME208196
725
-
0.701
145.1104
SPERMIDINE (M+NA)+
Spermidine
ME208471
1102
-
0.535
145.1566
SPERMIDINE (M+H)+
Spermidine
ME208470
1102
-
0.504
145.1583
ALPHA-KETO-GLUTARIC ACID (M+H)+[-H2O]
2-Oxoglutaric acid
ME208235
51
-
0.857
146.0214
ADIPIC ACID (M+NA)+
Adipic acid
ME208229
196
-
3.58
146.0579
GLUTAMINE (M+NA)+
Glutamine
ME208325
5961
-
0.605
146.0681
LYSINE (M+NA)+
Lysine
ME208373
5962
-
0.54
146.1049
LYSINE (M+H)+
Lysine
ME208372
5962
-
0.53
146.1052
ACETYLCHOLINE M+
Acetylcholine
ME208224
187
-
3.953
146.1171
GLUTAMIC ACID (M+H)+
Glutamic acid
ME208323
33032
-
0.777
147.0506
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME208393
65249
-
0.948
147.0523
N-ACETYL-DL-SERINE (M+H)+
N-Acetylserine
ME208392
65249
-
0.842
147.0527
GLUTAMIC ACID (M+H)+[-H2O]
Glutamic acid
ME208324
33032
-
0.628
147.0545
MEVALONIC ACID (M+NA)+[-H2O]
Mevalonic acid
ME208380
439230
-
1.477
148.0721
METHIONINE (M+H)+
Methionine
ME208377
6137
-
0.978
149.0501
3-METHYLADENINE (M+H)+
3-Methyladenine
ME208203
1673
-
0.946
149.0702
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+
2-Hydroxy-4-(methylthio)butanoic acid
ME208184
11427
-
3.427
150.0322
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+NA)+
2-Hydroxy-4-(methylthio)butanoic acid
ME208185
11427
-
3.408
150.0373
RIBOSE (M+NA)+
Ribose
ME208461
5779
-
0.68
150.0538
GUANINE (M+H)+
Guanine
ME208336
764
-
0.894
151.049
GUANINE (2M+NA)+
Guanine
ME208335
764
-
0.768
151.0493
XANTHINE (M+H)+
Xanthine
ME208515
1188
-
1.274
152.0318
4-HYDROXYPHENYLACETIC ACID (M+H)+
4-Hydroxyphenylacetic acid
ME208212
127
-
4.619
152.0456
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (M+H)+[-H2O]
4-Hydroxy-3-methoxybenzenemethanol
ME208210
62348
-
3.875
154.0632
L-HISTIDINE (M+NA)+
Histidine
ME208364
6274
-
0.601
155.069
L-HISTIDINE (M+H)+
Histidine
ME208363
6274
-
0.593
155.0692
URACIL 5-CARBOXYLIC ACID (M+H)+
Uracil-5-carboxylic acid
ME208504
6971263
-
1.281
156.0158
OROTIC ACID (M+H)+
Orotic acid
ME208435
967
-
0.849
156.0179
DIHYDROOROTIC ACID (M+H)+
Dihydroorotic acid
ME208293
1149667
-
0.901
158.0308
NONANOIC ACID (M+NA)+
Pelargonic acid
ME208419
8158
-
13.265
158.1315
INDOLE-3-ACETALDEHYDE (M+H)+
Indoleacetaldehyde
ME208348
800
-
1.801
159.0695
N-METHYL-GLUTAMIC ACID (M+NA)+
N-Methyl-glutamic acid
ME208407
439377
-
1.889
161.0657
CARNITINE (M+H)+
Carnitine
ME208256
10917
-
0.614
161.1024
3-HYDROXY-3-METHYLGLUTARIC ACID (M+NA)+
3-Hydroxymethylglutaric acid
ME208198
1662
-
1.65
162.052
3-HYDROXY-3-METHYLGLUTARIC ACID (M+H)+
3-Hydroxymethylglutaric acid
ME208197
1662
-
1.756
162.0533
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+
-
ME208446
83228
-
0.68
162.1019
4-COUMARIC ACID (M+H)+
cis-p-Coumaric acid
ME208208
637542
-
6.981
164.0494
PHENYLALANINE (M+H)+
Phenylalanine
ME208439
6140
-
2.426
165.078
PHTHALIC ACID (M+NA)+
Phthalic acid
ME208441
1017
-
4.885
166.0265
1-METHYLXANTHINE (M+NA)+
1-Methylxanthine
ME208169
80220
-
2.526
166.0465
1-METHYLXANTHINE (M+H)+
1-Methylxanthine
ME208168
80220
-
2.529
166.0476
PYRIDOXAL #2 (M+H)+[-H2O]
Pyridoxal
ME208454
1050
-
2.069
167.0601
URIC ACID (M+H)+
Uric acid
ME208505
1175
-
0.993
168.0265
HOMOGENTISIC ACID (M+H)+
Homogentisic acid
ME208343
780
-
2.098
168.0411
M-HYDROXYMANDELIC ACID (M+H)+[-H2O]
3-Hydroxymandelic acid
ME208374
86957
-
2.098
168.0421
NORADRENALINE (M+H)+[-H2O]
Xi-Norepinephrine
ME208420
951
-
0.581
169.0737
N(PAI)-METHYL-L-HISTIDINE (M+H)+
3-Methylhistidine
ME208381
64969
-
0.603
169.0854
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]
3-Dehydroshikimate
ME208195
439774
-
0.971
172.0339
DECANOIC ACID (2M+NA)+
Capric acid
ME208284
2969
-
22.804
172.144
DECANOIC ACID (2M+H)+
Capric acid
ME208283
2969
-
22.871
172.1456
N-ACETYL-L-LEUCINE (M+H)+
N-Acetylleucine
ME208398
75619
-
7.244
173.105
N-ACETYL-L-LEUCINE (M+NA)+
N-Acetylleucine
ME208399
75619
-
7.248
173.1056
DEHYDROASCORBIC ACID (M+H)+[-H2O]
Dehydroascorbic acid
ME208287
440667
-
0.695
174.0148
SUBERIC ACID (M+NA)+
Suberic acid
ME208479
10457
-
8.343
174.0917
L-ARGININE (M+H)+
Arginine
ME208362
6322
-
0.605
174.1109
N-ACETYL-ASPARTIC ACID (M+H)+
N-Acetylaspartic acid
ME208382
65065
-
0.973
175.0472
N-ACETYL-ASPARTIC ACID (M+NA)+
N-Acetylaspartic acid
ME208383
65065
-
0.973
175.0492
INDOLE-3-ACETIC ACID (M+NA)+
Indoleacetic acid
ME208350
802
-
8.488
175.0641
INDOLE-3-ACETIC ACID (M+H)+
Indoleacetic acid
ME208349
802
-
8.49
175.0652
CITRULLINE (M+NA)+
Citrulline
ME208264
9750
-
0.663
175.093
CITRULLINE (M+H)+
Citrulline
ME208263
9750
-
0.68
175.0964
SEROTONIN (M+H)+
Serotonin
ME208468
5202
-
1.801
176.0941
HIPPURIC ACID (M+NA)+
Hippuric acid
ME208341
464
-
4.854
179.0596
HIPPURIC ACID (M+H)+
Hippuric acid
ME208340
464
-
4.846
179.0605
D-MANNOSAMINE (M+H)+
2-Amino-2-deoxy-D-mannose
ME208280
3034366
-
0.694
179.0793
D-MANNOSAMINE (M+H)+[-H2O]
2-Amino-2-deoxy-D-mannose
ME208281
3034366
-
0.674
179.0827
SALSOLINOL (M+H)+
Salsolinol
ME208464
9158
-
1.367
179.0932
L-METHIONINE SULFOXIMINE (M+NA)+
Methionine sulfoximine
ME208366
89034
-
0.605
180.0591
GLUCOSE (2M+NA)+
Glucose
ME208322
5793
-
0.673
180.0642
TYROSINE (M+H)+
Tyrosine
ME208500
6057
-
1.315
181.0715
TYROSINE (M+NA)+
Tyrosine
ME208501
6057
-
1.323
181.0721
3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+
Hydroxyphenyllactic acid
ME208193
440177
-
3.852
182.0589
CHOLINE PHOSPHATE (M+NA)+
Choline phosphate
ME208261
1014
-
0.604
183.0642
CHOLINE PHOSPHATE (M+H)+
Choline phosphate
ME208260
1014
-
0.659
183.0656
EPINEPHRINE (M+H)+[-H2O]
Epinephrine
ME208309
5816
-
0.767
183.0896
O-PHOSPHO-DL-SERINE (M+NA)+
DL-O-Phosphoserine
ME208422
106
-
0.73
185.0086
O-PHOSPHO-DL-SERINE (M+H)+
DL-O-Phosphoserine
ME208421
106
-
0.656
185.0093
3-PHOSPHOGLYCERIC ACID (M+H)+
3-Phosphoglyceric acid
ME208205
439183
-
0.639
185.9909
3-PHOSPHOGLYCERIC ACID (M+NA)+
3-Phosphoglyceric acid
ME208206
439183
-
0.605
185.9946
CYSTEIC ACID (M+H)+
Cysteic acid
ME208270
72886
-
0.659
187.0147
10-HYDROXYDECANOIC ACID (M+H)+[-H2O]
10-Hydroxydecanoic acid
ME208170
6991989
-
13.57
188.1413
KYNURENIC ACID (M+H)+
Kynurenic acid
ME208359
3845
-
4.972
189.044
N-ACETYL-GLUTAMIC ACID (M+NA)+
N-Acetylglutamic acid
ME208395
185
-
1.304
189.0608
N-ACETYL-GLUTAMIC ACID (M+H)+
N-Acetylglutamic acid
ME208394
185
-
1.299
189.062
5-HYDROXYINDOLEACETIC ACID (M+H)+
5-Hydroxyindoleacetic acid
ME208217
1826
-
4.286
191.0601
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]
N-Acetylmethionine
ME208390
448580
-
4.096
191.0605
5-HYDROXYINDOLEACETIC ACID (M+NA)+
5-Hydroxyindoleacetic acid
ME208218
1826
-
4.271
191.062
N-ACETYL-DL-METHIONINE (M+H)+
N-Acetylmethionine
ME208389
448580
-
4.106
191.0628
N-ACETYL-DL-METHIONINE (M+NA)+
N-Acetylmethionine
ME208391
448580
-
4.109
191.0632
CITRIC ACID (M+NA)+
Citric acid
ME208262
311
-
0.874
192.0255
METHYL BETA-D-GALACTOSIDE (M+NA)+
Methyl beta-D-galactoside
ME208378
94214
-
0.886
194.0767
GLUCONIC ACID (M+NA)+
Gluconic acid
ME208319
10690
-
0.682
196.0587
SELENOMETHIONINE (M+H)+
Selenomethionine
ME208466
105024
-
1.309
196.9974
GUAIFENESIN (M+H)+
Guaifenesin
ME208333
3516
-
7.64
198.0861
SPERMINE (M+H)+
Spermine
ME208472
1103
-
0.491
202.2159
TRYPTOPHANAMIDE (M+H)+
Tryptophanamide
ME208499
439356
-
2.706
203.1063
N6-(DELTA2-ISOPENTENYL)-ADENINE (M+H)+
N6-Isopentenyladenine
ME208413
92180
-
7.955
203.1158
ACETYLCARNITINE (M+H)+
CAR 2:0
ME208223
18230
-
0.929
203.116
TRYPTOPHAN (M+H)+
Tryptophan
ME208497
6305
-
3.648
204.0859
TRYPTOPHAN (M+NA)+
Tryptophan
ME208498
6305
-
3.651
204.0863
XANTHURENIC ACID (M+H)+
Xanthurenic acid
ME208517
5699
-
4.497
205.0408
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME208367
16217285
-
3.647
206.0851
N-ACETYL-L-PHENYLALANINE (M+H)+
N-Acetylphenylalanine
ME208400
74839
-
7.786
207.092
N-ACETYL-L-PHENYLALANINE (M+NA)+
N-Acetylphenylalanine
ME208401
74839
-
7.787
207.0925
KYNURENINE (M+NA)+
Kynurenine
ME208361
161166
-
2.213
208.0845
KYNURENINE (M+H)+
Kynurenine
ME208360
161166
-
2.214
208.0853
PHOSPHOCREATINE (M+H)+
Phosphocreatine
ME208440
9548602
-
0.919
211.0396
3-METHOXYTYROSINE (M+H)+
3-Methoxytyrosine
ME208202
9307
-
1.945
211.0812
PROPIONYLCARNITINE (*) (M+H)+
CAR 3:0
ME208450
107738
-
1.652
217.1316
N-ACETYLSEROTONIN (M+NA)+
N-Acetylserotonin
ME208404
903
-
5.004
218.1085
ZEATIN [ISTD] (M+H)+
trans-Zeatin
ME208518
449093
-
3.936
219.1128
PANTOTHENIC ACID (M+NA)+
Pantothenic acid
ME208437
6613
-
3.316
219.1131
PANTOTHENIC ACID (M+H)+
Pantothenic acid
ME208436
6613
-
3.316
219.1134
5-HYDROXYTRYPTOPHAN (M+H)+
5-Hydroxy-tryptophan
ME208219
439280
-
1.798
220.0826
N-ACETYL-D-GLUCOSAMINE (M+NA)+
N-Acetylglucosamine
ME208386
446101
-
0.694
221.0868
N-ACETYL-D-GLUCOSAMINE (M+H)+
N-Acetylglucosamine
ME208384
446101
-
0.689
221.0895
N-ACETYL-D-GLUCOSAMINE (M+H)+[-H2O]
N-Acetylglucosamine
ME208385
446101
-
0.675
221.0937
CYSTATHIONINE (M+NA)+
Cystathionine
ME208269
439258
-
0.641
222.0685
3-HYDROXYKYNURENINE (M+H)+
Hydroxykynurenine
ME208200
11811
-
1.235
224.0787
METHYL JASMONATE (M+NA)+
Methyl jasmonate
ME208379
5281929
-
16.042
224.1427
DEOXYURIDINE (M+NA)+
Deoxyuridine
ME208289
13712
-
1.7
228.0754
BUTYRYLCARNITINE (*) (M+H)+
CAR 4:0
ME208251
213144
-
2.954
231.1482
ISO-BUTYRYLCARNITINE (*) (M+H)+
CAR 3:0;2Me
ME208355
168379
-
2.826
231.1486
MELATONIN (M+NA)+
Melatonin
ME208376
896
-
8.946
232.1225
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O]
-
ME208347
10444113
-
12.861
236.1036
CYSTINE (M+NA)+
Cystine
ME208271
6857538
-
0.724
240.023
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+
Anserine
ME208243
112072
-
0.713
240.1223
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+
Anserine
ME208244
112072
-
0.666
240.1266
THYMIDINE (M+H)+
Thymidine
ME208494
5789
-
2.78
242.0901
THYMIDINE (M+NA)+
Thymidine
ME208495
5789
-
2.783
242.0902
CYTIDINE (M+H)+
Cytidine
ME208273
6175
-
0.687
243.0807
CYTIDINE (2M+H)+
Cytidine
ME208272
6175
-
0.681
243.0847
URIDINE (M+NA)+
Uridine
ME208507
6029
-
1.362
244.0677
URIDINE (M+H)+
Uridine
ME208506
6029
-
1.369
244.0679
BIOTIN (M+H)+
Biotin
ME208245
11966127
-
6.334
244.0915
BIOTIN (M+NA)+
Biotin
ME208246
11966127
-
6.346
244.0915
N1-ACETYLSPERMINE (M+H)+
N1-Acetylspermine
ME208412
916
-
0.525
244.2267
ISOVALERYLCARNITINE (*) (M+H)+
CAR 4:0;3Me
ME208358
169235
-
4.57
245.1638
N-ACETYL-D-TRYPTOPHAN (M+H)+
N-Acetyl-D-tryptophan
ME208387
439917
-
8.015
246.1026
N-ACETYL-D-TRYPTOPHAN (M+NA)+
N-Acetyl-D-tryptophan
ME208388
439917
-
8.023
246.1043
PYRIDOXAL PHOSPHATE (2M+H)+
Pyridoxal 5'-phosphate
ME208455
1051
-
1.279
247.0198
PYRIDOXAL PHOSPHATE (M+H)+
Pyridoxal 5'-phosphate
ME208456
1051
-
1.276
247.0231
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+
gamma-Glutamylcysteine
ME208315
123938
-
0.978
250.0599
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O]
gamma-Glutamylcysteine
ME208316
123938
-
0.945
250.0627
2'-DEOXYINOSINE (2M+NA)+
Deoxyinosine
ME208179
65058
-
2.1
252.089
2'-DEOXYINOSINE (M+NA)+
Deoxyinosine
ME208180
65058
-
2.1
252.0894
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
sn-Glycero-3-phosphocholine
ME208469
439285
-
0.649
257.1015
D-GLUCOSAMINE 6-SULFATE (M+H)+
Glucosamine 6-sulfate
ME208276
3330962
-
0.694
259.0325
D-GLUCOSAMINE 6-SULFATE (M+H)+[-H2O]
Glucosamine 6-sulfate
ME208277
3330962
-
0.644
259.0377
GLUCOSAMINE 6-PHOSPHATE (M+NA)+
Glucosamine 6-phosphate
ME208321
439217
-
0.709
259.0429
GLUCOSAMINE 6-PHOSPHATE (M+H)+[-H2O]
Glucosamine 6-phosphate
ME208320
439217
-
0.679
259.0485
D-GLUCOSE 6-PHOSPHATE (M+NA)+
Glucose 6-phosphate
ME208279
5958
-
0.763
260.0281
D-GLUCOSE 6-PHOSPHATE (M+K)+
Glucose 6-phosphate
ME208278
5958
-
0.747
260.0334
HEXANOYLCARNITINE (*) M+
CAR 6:0
ME208339
3246939
-
7.151
260.1881
HOMOCYSTINE (M+H)+
Homocystine
ME208342
10010
-
0.689
268.0523
INOSINE (M+NA)+
Inosine
ME208352
6021
-
1.709
268.0811
INOSINE (M+H)+
Inosine
ME208351
6021
-
1.836
268.0818
DIETHYLSTILBESTROL (M+NA)+
Diethylstilbestrol
ME208292
448537
-
18.803
268.148
ESTRONE (M+H)+
Estrone
ME208312
5870
-
16.418
270.1607
ESTRADIOL-17BETA (M+NA)+
beta-Estradiol
ME208311
5757
-
16.396
272.1808
GAMMA-LINOLENIC ACID (M+NA)+
gamma-Linolenic acid
ME208317
5280933
-
22.845
278.2238
LINOLEIC ACID (M+NA)+
Linoleic acid
ME208370
5280450
-
18.365
280.2365
OLEAMIDE (M+H)+
Oleamide
ME208426
5283387
-
22.643
281.2691
OLEAMIDE (M+NA)+
Oleamide
ME208427
5283387
-
22.636
281.2704
OLEIC ACID (M+NA)+
Oleic acid
ME208429
445639
-
22.506
282.2538
OLEIC ACID (M+H)+
Oleic acid
ME208428
445639
-
22.514
282.2543
ELAIDIC ACID (M+H)+
Elaidic acid
ME208303
637517
-
22.968
282.2599
GUANOSINE (M+H)+
Guanosine
ME208337
6802
-
1.835
283.0932
XANTHOSINE (M+H)+
Xanthosine
ME208516
64959
-
2.295
284.0778
OCTENOYLCARNITINE (*) M+
CAR 8:1
ME208425
71464472
-
9.569
286.204
OCTANOYLCARNITINE (*) (M+H)+
CAR 8:0
ME208424
123701
-
11.57
287.2111
OPHTHALMIC ACID (M+H)+
Ophthalmic acid
ME208434
7018721
-
1.225
289.1252
EPIANDROSTERONE (M+H)+
Epiandrosterone
ME208304
441302
-
18.373
290.2208
ANDROSTERONE (M+NA)+
Androsterone
ME208237
5879
-
19.763
290.2235
EPIANDROSTERONE (M+NA)+
Epiandrosterone
ME208306
441302
-
18.389
290.224
EPIANDROSTERONE (M+H)+[-H2O]
Epiandrosterone
ME208305
441302
-
18.394
290.2242
5'-METHYLTHIOADENOSINE (M+H)+
5'-Methylthioadenosine
ME208213
439176
-
4.554
297.0912
5'-METHYLTHIOADENOSINE (M+NA)+
5'-Methylthioadenosine
ME208214
439176
-
4.556
297.0914
SPHINGOSINE (M+H)+[-H2O]
Sphingosine
ME208475
5280335
-
20.284
299.2812
SPHINGOSINE (M+H)+
Sphingosine
ME208474
5280335
-
20.199
299.2816
SPHINGANINE (M+H)+
Sphinganine
ME208473
644260
-
20.59
301.2934
GLYCEROL MYRISTATE (M+H)+
MG 14:0
ME208328
79050
-
22.134
302.2423
GLYCEROL MYRISTATE (M+NA)+
MG 14:0
ME208330
79050
-
22.09
302.2446
GLYCEROL MYRISTATE (M+H)+[-H2O]
MG 14:0
ME208329
79050
-
22.084
302.2455
DUMP (M+H)+
dUMP
ME208297
65063
-
0.989
308.0377
DUMP (M+NA)+
dUMP
ME208299
65063
-
1.047
308.0428
DUMP (M+K)+
dUMP
ME208298
65063
-
1.119
308.0444
N-ACETYLNEURAMINIC ACID (M+H)+
N-Acetylneuraminic acid
ME208402
444885
-
0.774
309.1006
N-ACETYLNEURAMINIC ACID (M+NA)+
N-Acetylneuraminic acid
ME208403
444885
-
0.681
309.1052
DECENOYLCARNITINE (*) (M+H)+
CAR 10:1
ME208286
57357170
-
13.744
313.2262
PROGESTERONE (M+H)+
Progesterone
ME208447
5994
-
19.712
314.2253
PROGESTERONE (M+NA)+
Progesterone
ME208448
5994
-
19.712
314.2296
DECANOYLCARNITINE (*) (M+H)+
CAR 10:0
ME208285
11953821
-
15.122
315.2449
PREGNENOLONE (M+NA)+
Pregnenolone
ME208445
8955
-
20.283
316.2361
PREGNENOLONE (M+H)+[-H2O]
Pregnenolone
ME208444
8955
-
20.357
316.2397
PREGNENOLONE (M+H)+
Pregnenolone
ME208443
8955
-
20.357
316.2399
ALLOPREGNANOLONE (M+H)+[-H2O]
3alpha-Hydroxy-5alpha-pregnan-20-one
ME208233
92787
-
20.924
318.2549
ALLOPREGNANOLONE (M+NA)+
3alpha-Hydroxy-5alpha-pregnan-20-one
ME208234
92787
-
20.803
318.255
ALLOPREGNANOLONE (M+H)+
3alpha-Hydroxy-5alpha-pregnan-20-one
ME208232
92787
-
20.869
318.2567
URIDINE-5-MONOPHOSPHATE (M+H)+
UMP
ME208509
6030
-
0.851
324.0343
URIDINE-5-MONOPHOSPHATE (2M+NA)+
UMP
ME208508
6030
-
0.857
324.0392
DAMP (M+H)+
dAMP
ME208282
12599
-
1.212
331.0667
NICOTINAMIDE MONONUCLEOTIDE (M+H)+
Nicotinamide ribotide
ME208418
14180
-
0.698
334.0575
LEUKOTRIENE B4 (M+NA)+
LTB4
ME208369
5280492
-
20.822
336.2271
ERUCIC ACID (M+NA)+
cis-Erucic acid
ME208310
5281116
-
23.505
338.3212
N-OLEOYLGLYCINE (M+NA)+
N-Oleoyl glycine
ME208411
6436908
-
22.554
339.2832
N-OLEOYLGLYCINE (M+H)+
N-Oleoyl glycine
ME208410
6436908
-
22.653
339.2839
SUCROSE (M+NA)+
Sucrose
ME208480
5988
-
0.743
342.11
DODECENOYLCARNITINE (*) II M+
CAR 12:1
ME208296
53481671
-
16.779
342.2652
LAUROYLCARNITINE (M+H)+
CAR 12:0
ME208368
168381
-
17.752
343.2712
THIAMIN MONOPHOSPHATE (M+NA)+
Thiamine monophosphate
ME208491
3382778
-
0.846
344.0645
CORTICOSTERONE (M+H)+
Corticosterone
ME208265
5753
-
15.202
346.2077
CORTICOSTERONE (M+NA)+
Corticosterone
ME208266
5753
-
15.198
346.21
ADENOSINE 5'-MONOPHOSPHATE (2M+H)+
AMP
ME208226
6083
-
0.939
347.0564
ADENOSINE 5'-MONOPHOSPHATE #2 (M+H)+
AMP
ME208225
6083
-
1.268
347.0599
ADENOSINE 5'-MONOPHOSPHATE (M+H)+
AMP
ME208227
6083
-
0.929
347.064
INOSINE 5'-PHOSPHATE (M+NA)+
IMP
ME208354
8582
-
0.969
348.0447
INOSINE 5'-PHOSPHATE (M+H)+
IMP
ME208353
8582
-
0.969
348.0458
PROSTAGLANDIN E2 (M+H)+
PGE2
ME208451
5280360
-
16.868
352.2262
OLEOYL-GLYCEROL (M+H)+
MG 18:1
ME208430
5319879
-
22.657
356.2927
OLEOYL-GLYCEROL (M+H)+[-H2O]
MG 18:1
ME208431
5319879
-
22.662
356.2927
OLEOYL-GLYCEROL (M+NA)+
MG 18:1
ME208432
5319879
-
22.691
356.2936
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+
CAR 12:0;OH
ME208201
71464535
-
16.106
359.2684
GUANOSINE 5'-PHOSPHATE (M+H)+
GMP
ME208338
6804
-
0.967
363.06
TETRADECADIENOYLCARNITINE (*) M+
CAR 14:2
ME208489
53481681
-
17.807
368.2799
THROMBOXANE B2 (M+NA)+
TXB2
ME208493
5283137
-
16.655
370.2326
TETRADECENOYLCARNITINE (*) M+
CAR 14:1
ME208490
22833575
-
18.902
370.2974
RIBOFLAVIN (M+H)+
Riboflavin
ME208459
493570
-
7.687
376.1422
RIBOFLAVIN (M+NA)+
Riboflavin
ME208460
493570
-
7.687
376.1423
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+
S-Adenosylhomocysteine
ME208462
439155
-
1.522
384.1202
DESMOSTEROL (M+H)+[-H2O]
Desmosterol
ME208291
439577
-
24.228
384.34
CHOLESTEROL (M+H)+[-H2O]
Cholesterol
ME208257
5997
-
24.655
386.356
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
bis(2-Ethylhexyl)phthalic acid
ME208247
8343
-
23.083
390.2774
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
bis(2-Ethylhexyl)phthalic acid
ME208248
8343
-
23.113
390.2791
DEOXYCHOLIC ACID (M+NA)+
Deoxycholic acid
ME208288
222528
-
21.659
392.2881
URSODIOL (M+NA)+
Ursodeoxycholic acid
ME208510
31401
-
21.762
392.2911
S-ADENOSYLMETHIONINE (M+H)+
S-Adenosylmethionine
ME208463
34755
-
0.612
398.1298
CALCIDIOL (M+NA)+
25-Hydroxyvitamin D3
ME208255
5283731
-
22.649
400.3319
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]
25-Hydroxycholesterol
ME208192
65094
-
22.787
402.3446
CYTIDINE 5'-DIPHOSPHATE (M+H)+
CDP
ME208274
6132
-
0.704
403.0187
LINOLEOYLCARNITINE (*) (M+H)+
CAR 18:2
ME208371
6450015
-
20.882
423.3281
OCTACOSANOIC ACID (M+H)+
Montanic acid
ME208423
10470
-
23.46
424.4347
OLEOYLCARNITINE (*) (M+H)+
CAR 18:1
ME208433
6441392
-
21.224
425.3445
ADENOSINE 5'-PHOSPHOSULFATE (M+NA)+
Adenosine phosphosulfate
ME208228
10238
-
0.665
427.0188
STEAROYLCARNITINE (*) (M+H)+
CAR 18:0
ME208478
52922056
-
21.621
427.3592
ALPHA-TOCOPHEROL (M+H)+
alpha-Tocopherol
ME208236
14985
-
24.58
430.38
GLYCOLITHOCHOLIC ACID (M+NA)+
Glycolithocholic acid
ME208331
115245
-
21.611
433.3261
GLYCOLITHOCHOLIC ACID (M+NA)+[-H2O]
Glycolithocholic acid
ME208332
115245
-
21.423
433.3261
EICOSADIENOYLCARNITINE (*) (M+H)+
CAR 20:2
ME208300
71464509
-
21.635
451.3579
EICOSENOYLCARNITINE (*) (M+H)+
CAR 20:1
ME208302
71464507
-
21.841
453.3838
EICOSANOYLCARNITINE (*) (M+H)+
CAR 20:0
ME208301
53477833
-
22.002
455.3885
5-METHYLTETRAHYDROFOLIC ACID (M+H)+
5-Methyl-THF
ME208220
9825434
-
3.725
459.1894
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]
Cholesterol sulfate
ME208258
65076
-
23.869
466.3111
EPIBRASSINOLIDE [ISTD] (M+H)+
24-epi-Brassinolide
ME208307
115196
-
19.949
480.3465
EPIBRASSINOLIDE [ISTD] (M+NA)+
24-epi-Brassinolide
ME208308
115196
-
19.95
480.3466
18:0 LYSO-PE (2M+NA)+
LPE 18:0
ME208176
9547068
-
22.68
481.3095
18:0 LYSO-PE (2M+H)+
LPE 18:0
ME208175
9547068
-
22.68
481.3112
18:0 LYSO-PE (M+NA)+
LPE 18:0
ME208178
9547068
-
22.677
481.3178
18:0 LYSO-PE (M+H)+
LPE 18:0
ME208177
9547068
-
22.681
481.3181
TAUROLITHOCHOLIC ACID (M+H)+
Taurolithocholic acid
ME208487
439763
-
21.82
483.3078
TAUROLITHOCHOLIC ACID (M+NA)+
Taurolithocholic acid
ME208488
439763
-
21.851
483.3095
16:0 LYSO PC (M+NA)+
LPC 16:0
ME208172
460602
-
22.278
495.3321
16:0 LYSO PC (M+H)+
LPC 16:0
ME208171
460602
-
22.279
495.3331
BIS-GAMMA-GLUTAMYLCYSTINE (M+H)+
Bis-gamma-glutamylcystine
ME208249
90657696
-
0.955
498.1005
TAUROCHENODEOXYCHOLIC ACID (M+H)+
Taurochenodeoxycholic acid
ME208483
387316
-
20.276
499.2959
TAUROCHENODEOXYCHOLIC ACID (M+NA)+
Taurochenodeoxycholic acid
ME208485
387316
-
20.236
499.3006
TAUROCHENODEOXYCHOLIC ACID (M+H)+[-H2O]
Taurochenodeoxycholic acid
ME208484
387316
-
20.091
499.3034
RAFFINOSE (M+NA)+
Raffinose
ME208458
439242
-
0.698
504.1599
RAFFINOSE (M+K)+
Raffinose
ME208457
439242
-
0.697
504.1604
ARACHIDONYLCARNITINE (*) M+
CAR 20:4
ME208238
101431140
-
23.504
504.4145
TAUROCHOLIC ACID (M+NA)+
Taurocholic acid
ME208486
6675
-
18.252
515.292
20:0 LYSO PC (M+H)+
LPC 20:0
ME208189
24779473
-
23.002
551.3964
20:0 LYSO PC (M+NA)+
LPC 20:0
ME208190
24779473
-
22.988
551.3985
ADP-RIBOSE (M+NA)+
ADP-ribose
ME208230
33576
-
0.64
559.0706
PROTOPORPHYRIN (M+H)+
Protoporphyrin
ME208452
4971
-
22.973
562.2608
DIPALMITOYL-GLYCEROL (M+H)+[-H2O]
DG 16:0_16:0
ME208295
644078
-
26.124
568.5054
GDPMANNOSE (M+H)+
GDP-mannose
ME208318
18396
-
0.921
605.0785
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+
UDP-N-acetylgalactosamine
ME208502
23724461
-
0.903
607.081
GLUTATHIONE OXIDIZED (M+H2)+2
Glutathione
ME208327
65359
-
1.373
612.1448
GLUTATHIONE OXIDIZED (M+H)+
Glutathione
ME208326
65359
-
1.371
612.1504
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+H)+
-
ME208252
46891735
-
23.197
643.4908
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+
-
ME208253
46891735
-
23.147
643.4911
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) M+[-C6H...
-
ME208254
46891735
-
23.185
643.4988
NAD (M+2H)+2
NAD
ME208414
5893
-
1.007
663.0964
NAD (M+H)+
NAD
ME208415
5893
-
1.006
663.1064
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M+H)+
Nicotinamide purin-6-ol-dinucleotide
ME208417
440334
-
1.009
664.1043
STACHYOSE (M+K)+
Stachyose
ME208476
439531
-
0.703
666.2121
STACHYOSE (M+NA)+
Stachyose
ME208477
439531
-
0.703
666.2149
DEPHOSPHO-COA (M+2H)+2
3'-Dephospho-CoA
ME208290
444485
-
3.82
687.1524
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M+H)+
PE 16:0/16:0
ME208294
445468
-
24.735
691.5192
16:0-18:0 PC (M+H)+
PC 16:0_18:0
ME208173
18631368
-
25.575
761.596
16:0-18:0 PC (M+NA)+
PC 16:0_18:0
ME208174
18631368
-
25.542
761.5973
24:0 SM (D18:1/24:0) (M+H)+
SM 18:1;O2/24:0
ME208191
44260127
-
27.899
814.7089
GAMMA-BUTYROLACTONE (M+H)+
gamma-Butyrolactone
ME208314
7302
-
2.056
86.0371
2-METHYLPROPANAL OXIME (M+H)+[-H2O]
2-Methylpropanal oxime
ME208188
9023
-
0.964
87.0677
PUTRESCINE (M+H)+
Putrescine
ME208453
1045
-
0.513
88.1001
SARCOSINE (M+H)+
Sarcosine
ME208465
1088
-
0.759
89.046
ALANINE (M+H)+
Alanine
ME208231
5950
-
1.204
89.0478
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel