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 ST000711 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
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M-H)-
-
ME201094
83228
-
0.58
162.0976
INOSINE 5'-DIPHOSPHATE (M-H)+[-H2O]
IDP
ME201054
6831
-
0.62
428.0167
OXALOACETIC ACID (M-H)-[-H2O]
Oxaloacetic acid
ME201083
970
-
0.62
132.0035
LYSINE (M-H)-
Lysine
ME201065
5962
-
0.64
146.1052
ORNITHINE (M-H)-
Ornithine
ME201081
6262
-
0.64
132.0893
L-ARGININE (M-H)-
Arginine
ME201057
6322
-
0.67
174.1115
L-HISTIDINE (M-H)-
Histidine
ME201058
6274
-
0.67
155.0694
MANNITOL (M-H)-
Mannitol
ME201067
6251
-
0.67
182.0789
SERINE (M-H)-
Serine
ME201102
617
-
0.67
105.0425
TAURINE (M-H)-
Taurine
ME201106
1123
-
0.67
125.0145
CITRULLINE (M-H)-
Citrulline
ME201023
9750
-
0.68
175.0951
GLUCURONIC ACID (M-H)-
Glucuronic acid
ME201039
94715
-
0.68
194.0412
GLYCINE (M-H)-
Glycine
ME201043
750
-
0.68
75.032
ASPARTIC ACID (M-H)-
Aspartic acid
ME201014
5960
-
0.69
133.0374
DEHYDROASCORBIC ACID (M+CL)-
L-Dehydroascorbic acid
ME201028
440667
-
0.69
174.0154
D-GLUCOSE 6-PHOSPHATE (M-H)-
Glucose 6-phosphate
ME201026
5958
-
0.69
260.031
GLUCOSE (M+CL)-
Glucose
ME201038
5793
-
0.69
180.0647
GLUTAMIC ACID (M-H)-
Glutamic acid
ME201040
33032
-
0.69
147.0531
GLUCONIC ACID (M-H)-
Gluconic acid
ME201037
10690
-
0.7
196.0579
OXALIC ACID (M-H)-
Oxalic acid
ME201082
971
-
0.72
89.9949
3-SULFINO-L-ALANINE (M-H)-
3-Sulfino-alanine
ME201005
109
-
0.73
153.0092
N-ACETYLNEURAMINIC ACID (M-H)-
N-Acetylneuraminic acid
ME201075
444885
-
0.74
309.1061
RIBOSE 5-PHOSPHATE (M-H)-
Ribose 5-phosphate
ME201099
439167
-
0.76
230.02
STACHYOSE (M+CL)-
Stachyose
ME201103
439531
-
0.76
666.2104
3-PHOSPHOGLYCERIC ACID (M-H)-
3-Phosphoglyceric acid
ME201004
439183
-
0.79
185.9935
URIDINE-5-MONOPHOSPHATE (M-H)-
UMP
ME201116
6030
-
0.81
324.0417
XANTHOSINE 5'-PHOSPHATE (M-H)-
XMP
ME201118
73323
-
1.03
364.0449
AZELAIC ACID (M-H)-
Azelaic acid
ME201015
2266
-
10.68
188.1048
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M-H)-
Nicotinamide purin-6-ol-dinucleotide
ME201078
440334
-
1.09
664.0888
SEBACIC ACID (M-H)-
Sebacic acid
ME201101
5192
-
12.9
202.1206
IBUPROFEN CARBOXYLIC ACID (M-H)-
-
ME201051
10444113
-
12.94
236.1049
CORTISONE (M+CL)-
Cortisone
ME201025
222786
-
13.35
360.1946
10-HYDROXYDECANOIC ACID (M-H)-
10-Hydroxydecanoic acid
ME200989
6991989
-
13.54
188.1407
CORTISOL (M+CL)-
Cortisol
ME201024
5754
-
13.75
362.213
GLUTATHIONE (OXIDIZED) (M-H)-
Glutathione
ME201042
65359
-
1.38
612.1563
THYROTROPIN RELEASING HORMONE (M+CL)-
Thyrotropin releasing hormone
ME201111
638678
-
1.48
362.1698
1-HYDROXY-2-NAPHTHOIC ACID (M-H)-
1-Hydroxy-2-naphthoate
ME200987
6844
-
15.74
188.0472
PROSTAGLANDIN E2 (M-H)-[-H2O]
PGE2
ME201098
5280360
-
16.74
352.2251
PROSTAGLANDIN E2 (M-H)-
PGE2
ME201097
5280360
-
16.75
352.2244
PROSTAGLANDIN E2 (M+CL)-
PGE2
ME201095
5280360
-
16.78
352.2225
PROSTAGLANDIN E2 (M+CL)-[-H2O]
PGE2
ME201096
5280360
-
16.84
352.2188
OMEGA-HYDROXYDODECANOIC ACID (M-H)-
12-Hydroxy lauric acid
ME201080
79034
-
17
216.1717
THYMINE (M-H)-
Thymine
ME201110
1135
-
1.76
126.0429
5-HYDROXYTRYPTOPHAN (M-H)-
5-Hydroxy-tryptophan
ME201010
439280
-
1.8
220.0845
2-METHYLMALEIC ACID (M-H)-
Citraconic acid
ME200999
643798
-
1.84
130.0266
INOSINE (M-H)-
Inosine
ME201053
6021
-
1.85
268.0847
BILIVERDIN (M-H)-
Biliverdin
ME201018
5280353
-
18.61
582.249
GLYCOCHOLIC ACID (2M-H)-
Glycocholic acid
ME201044
10140
-
18.83
465.3103
GLYCOCHOLIC ACID (M-H)-
Glycocholic acid
ME201045
10140
-
18.83
465.3083
EPIBRASSINOLIDE [ISTD] (M+CL)-
24-epi-Brassinolide
ME201033
115196
-
19.8
480.3442
DECANOIC ACID (M-H)-
Capric acid
ME201027
2969
-
19.83
172.1456
3-METHOXY-4-HYDROXYMANDELIC ACID (M-H)-
Vanillylmandelic acid
ME201001
736172
-
2.01
198.0557
CHOLIC ACID (M+CL)-
Cholic acid
ME201020
221493
-
20.28
408.2874
CHOLIC ACID (M-H)-
Cholic acid
ME201021
221493
-
20.29
408.2847
GLUTARIC ACID (M-H)-
Glutaric acid
ME201041
743
-
2.04
132.0419
M-HYDROXYMANDELIC ACID (M-H)-
3-Hydroxymandelic acid
ME201066
86957
-
2.05
168.0405
LEUKOTRIENE B4 (M-H)-
LTB4
ME201062
5280492
-
20.87
336.2291
2'-DEOXYINOSINE (M-H)-
Deoxyinosine
ME200995
65058
-
2.1
252.0872
2'-DEOXYGUANOSINE #2 (M-H)-
Deoxyguanosine
ME200993
187790
-
2.11
267.0962
2'-DEOXYINOSINE (M+CL)-
Deoxyinosine
ME200994
65058
-
2.13
252.0876
GLYCOLITHOCHOLIC ACID (M-H)-
Glycolithocholic acid
ME201046
115245
-
21.59
433.3188
DEOXYCHOLIC ACID (M+CL)-
Deoxycholic acid
ME201029
222528
-
21.71
392.2855
DEOXYCHOLIC ACID (M-H)-
Deoxycholic acid
ME201030
222528
-
21.71
392.2918
LAURIC ACID (M-H)-
Lauric acid
ME201061
3893
-
21.79
200.1773
MYRISTOLEIC ACID (M-H)-
Myristoleic acid
ME201069
5281119
-
22.12
226.1931
TRIDECANOIC ACID (M-H)-
Tridecylic acid
ME201113
12530
-
22.19
214.1927
KYNURENINE (M-H)-
Kynurenine
ME201056
161166
-
2.22
208.0832
1-METHYLURIC ACID (M-H)-
1-Methyluric acid
ME200988
69726
-
2.23
182.0431
16:0 LYSO PC (M+CL)-
LPC 16:0
ME200990
460602
-
22.36
495.3365
MYRISTIC ACID (M-H)-
Myristic acid
ME201068
11005
-
22.5
228.209
N-OLEOYLGLYCINE (M-H)-
N-Oleoyl glycine
ME201076
6436908
-
22.58
339.2736
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)-
p-Acetamidophenylglucuronide
ME201084
83944
-
2.26
327.0967
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME201086
445638
-
22.63
254.2249
18:0 LYSO-PE (M-H)-
LPE 18:0
ME200992
9547068
-
22.69
481.3164
DOCOSAHEXAENOIC ACID (M-H)-
Docosahexaenoic acid
ME201032
445580
-
22.74
328.241
ARACHIDONIC ACID (M-H)-
Arachidonic acid
ME201013
444899
-
22.76
304.241
LINOLEIC ACID (M-H)-
Linoleic acid
ME201064
5280450
-
22.78
280.2409
HYODEOXYCHOLIC ACID (M-H)-
Hyodeoxycholic acid
ME201050
5283820
-
22.85
392.2956
PALMITIC ACID (M-H)-
Palmitic acid
ME201085
985
-
22.9
256.2408
OLEIC ACID (M-H)-
Oleic acid
ME201079
445639
-
22.98
282.2565
4-ACETAMINOPHEN SULFATE (M-H)-
Paracetamol sulfate
ME201006
83939
-
2.3
231.0199
HEPTADECANOIC ACID (M-H)-
Margaric acid
ME201047
10465
-
23.06
270.2557
XANTHOSINE (M-H)-
Xanthosine
ME201117
64959
-
2.32
284.0759
STEARIC ACID (M-H)-
Stearic acid
ME201104
5281
-
23.23
284.2721
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)-
-
ME201019
46891735
-
23.24
643.5089
2-METHYLMALEIC ACID #2 (M-H)-
Citraconic acid
ME200998
643798
-
2.33
130.0269
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME201022
5282768
-
23.3
310.2875
PHYTANIC ACID (M-H)-
Phytanic acid
ME201092
10380830
-
23.3
312.297
ARACHIDIC ACID (M-H)-
Arachidic acid
ME201012
10467
-
23.63
312.3028
ERUCIC ACID (M-H)-
cis-Erucic acid
ME201034
5281116
-
23.68
338.3186
3-METHYLXANTHINE (M-H)-
3-Methylxanthine
ME201003
70639
-
2.37
166.0459
BEHENIC ACID (M-H)-
Behenic acid
ME201016
8215
-
24.11
340.3341
NERVONIC ACID (M-H)-
Nervonic acid
ME201077
5281120
-
24.18
366.3502
TRICOSANOIC ACID (M-H)-
Tricosylic acid
ME201112
17085
-
24.41
354.3491
LIGNOCERIC ACID (M-H)-
Lignoceric acid
ME201063
11197
-
24.76
368.3653
PHENYLALANINE (M-H)-
Phenylalanine
ME201089
6140
-
2.51
165.079
16:0-18:0 PC (M+CL)-
PC 16:0_18:0
ME200991
18631368
-
25.5
761.5797
HEXACOSANOIC ACID (M-H)-
Cerotic acid
ME201048
10469
-
25.61
396.396
THYMIDINE (M-H)-
Thymidine
ME201109
5789
-
2.76
242.0905
THYMIDINE (M+CL)-
Thymidine
ME201108
5789
-
2.77
242.0906
ACETAMINOPHEN (TN TYLENOL) (M-H)-
Acetaminophen
ME201011
1983
-
3.11
151.0625
PANTOTHENIC ACID (M+CL)-
Pantothenic acid
ME201087
6613
-
3.22
219.1101
PANTOTHENIC ACID (M-H)-
Pantothenic acid
ME201088
6613
-
3.22
219.1103
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-
2-Hydroxy-4-(methylthio)butanoic acid
ME200997
11427
-
3.31
150.0352
N-ACETYL-L-CYSTEINE (M-H)-
N-Acetylcysteine
ME201072
12035
-
3.34
324.0452
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
2-Hydroxy-3-methylbutyric acid
ME200996
853180
-
3.43
118.0626
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME201059
16217285
-
3.61
206.0848
TRYPTOPHAN (2M-H)-
Tryptophan
ME201114
6305
-
3.61
204.0881
TRYPTOPHAN (M-H)-
Tryptophan
ME201115
6305
-
3.61
204.089
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-
Hydroxyphenyllactic acid
ME201000
440177
-
3.81
182.0575
ZEATIN [ISTD] (M+CL)-
trans-Zeatin
ME201119
449093
-
3.93
219.1121
ZEATIN [ISTD] (M-H)-
trans-Zeatin
ME201120
449093
-
3.93
219.1113
N-ACETYL-DL-METHIONINE (M-H)-
N-Acetylmethionine
ME201071
448580
-
4.01
191.061
GENTISURIC ACID (2M-H)-
-
ME201036
161488
-
4.11
211.0504
4-HYDROXYBENZOIC ACID (M-H)-
4-Hydroxybenzoic acid
ME201008
135
-
4.14
138.0314
3-METHYL-2-OXOPENTANOIC ACID (M-H)-
3-Methyl-2-oxovaleric acid
ME201002
440877
-
4.23
130.0625
THEOPHYLLINE (M-H)-
Theophylline
ME201107
2153
-
4.46
180.0637
4-HYDROXYPHENYLACETIC ACID (M-H)-
4-Hydroxyphenylacetic acid
ME201009
127
-
4.67
152.0467
PHTHALIC ACID (M-H)-
Phthalic acid
ME201091
1017
-
4.77
166.0265
KYNURENIC ACID (M-H)-
Kynurenic acid
ME201055
3845
-
4.96
189.0424
PHENYLPYRUVIC ACID (M-H)-
Phenylpyruvic acid
ME201090
997
-
5.3
164.0468
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
2-Aminobenzoic acid
ME201060
227
-
5.34
138.0446
PIMELIC ACID (M-H)-
Pimelic acid
ME201093
385
-
5.64
160.0729
HOMOVANILLIC ACID (2M-H)-
Homovanillic acid
ME201049
1738
-
5.68
182.0581
FLAVIN ADENINE DINUCLEOTIDE (M-H)-
FAD
ME201035
643975
-
6.4
785.1582
4-COUMARIC ACID (M-H)-
cis-p-Coumaric acid
ME201007
637542
-
7
164.0471
N-ACETYL-L-LEUCINE (M-H)-
N-Acetylleucine
ME201073
75619
-
7.07
173.1049
N-ACETYL-L-PHENYLALANINE (M-H)-
N-Acetylphenylalanine
ME201074
74839
-
7.63
207.0891
N-ACETYL-D-TRYPTOPHAN (M-H)-
N-Acetyl-D-tryptophan
ME201070
439917
-
7.93
246.0993
SALICYLATE #2 (M-H)-
Salicylic acid
ME201100
338
-
8.13
138.0315
SUBERIC ACID (M-H)-
Suberic acid
ME201105
10457
-
8.18
174.0887
BENZOIC ACID #2 (M-H)-
Benzoic acid
ME201017
243
-
8.23
122.0365
INDOLE-3-ACETIC ACID (M-H)-
Indoleacetic acid
ME201052
802
-
8.35
175.0628
DETHIOBIOTIN (2M-H)-
Dethiobiotin
ME201031
445027
-
8.39
214.128
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
SPERMIDINE (M+H)+
Spermidine
ME201227
1102
-
0.55
145.1577
CADAVERINE (M+H)+
Cadaverine
ME201146
273
-
0.56
102.1157
LYSINE (M+H)+
Lysine
ME201196
5962
-
0.58
146.1056
ORNITHINE (M+H)+
Ornithine
ME201215
6262
-
0.58
132.0897
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+H)+
CDP-choline
ME201154
13804
-
0.6
488.1048
LYSINE (M+NA)+
Lysine
ME201197
5962
-
0.6
146.1054
PROLINE (M+NA)+
Proline
ME201218
145742
-
0.6
115.0634
PROLINE (M+H)+
Proline
ME201217
145742
-
0.64
115.0637
L-ARGININE (M+NA)+
Arginine
ME201189
6322
-
0.65
174.1124
CARNOSINE (M+H)+
Carnosine
ME201149
439224
-
0.67
226.1063
CHOLINE M+
Choline
ME201151
305
-
0.67
104.1079
HOMOSERINE (M+NA)+
Homoserine
ME201176
12647
-
0.67
119.0578
L-ARGININE (M+H)+
Arginine
ME201188
6322
-
0.67
174.1125
L-HISTIDINE (M+H)+
Histidine
ME201190
6274
-
0.67
155.0695
L-HISTIDINE (M+NA)+
Histidine
ME201191
6274
-
0.67
155.069
D-GALACTOSAMINE (M+H)+
Galactosamine
ME201155
3034366
-
0.68
179.0778
CARNITINE (M+H)+
Carnitine
ME201148
10917
-
0.69
161.103
ETHANOLAMINE PHOSPHATE (M+H)+
Phosphoethanolamine
ME201164
1015
-
0.69
141.0218
CITRULLINE (M+NA)+
Citrulline
ME201153
9750
-
0.7
175.0953
GLUCOSE (M+NA)+
Glucose
ME201167
5793
-
0.7
180.0635
MANNITOL (M+NA)+
Mannitol
ME201199
6251
-
0.7
182.0779
FLUCYTOSINE (M+H)+
Flucytosine
ME201165
3366
-
0.72
129.0345
SUCROSE (M+NA)+
Sucrose
ME201230
5988
-
0.72
342.1144
RAFFINOSE (M+NA)+
Raffinose
ME201224
439242
-
0.73
504.1667
STACHYOSE (M+K)+
Stachyose
ME201228
439531
-
0.73
666.2235
STACHYOSE (M+NA)+
Stachyose
ME201229
439531
-
0.73
666.2204
N-ACETYLNEURAMINIC ACID (M+H)+
N-Acetylneuraminic acid
ME201207
444885
-
0.74
309.1103
N-ACETYL-D-MANNOSAMINE (M+H)+
N-Acetyl-mannosamine
ME201201
53477792
-
0.76
221.0883
MALIC ACID (M+NA)+
Malic acid
ME201198
222656
-
0.83
134.0198
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+
UDP-N-acetylgalactosamine
ME201239
23724461
-
0.86
607.0797
VALINE (M+H)+
Valine
ME201241
6287
-
0.91
117.0779
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME201204
65249
-
0.95
147.0525
ACETYLCARNITINE (M+H)+
CAR 2:0
ME201138
18230
-
0.98
203.1132
ADENOSINE 5'-MONOPHOSPHATE (M+H)+
AMP
ME201139
6083
-
0.98
347.0627
UROCANIC ACID (M+H)+
Urocanic acid
ME201240
736715
-
0.99
138.0411
INOSINE 5'-PHOSPHATE (M+H)+
IMP
ME201182
8582
-
1.01
348.0497
METHIONINE (M+H)+
Methionine
ME201200
6137
-
1.02
149.0487
CITRIC ACID (M+NA)+
Citric acid
ME201152
311
-
1.04
192.0259
AZELAIC ACID (M+H)+[-H2O]
Azelaic acid
ME201141
2266
-
10.58
188.1062
AZELAIC ACID (M+NA)+
Azelaic acid
ME201142
2266
-
10.58
188.1055
NAD (M+H)+
NAD+
ME201208
5893
-
1.06
663.1099
NICOTINIC ACID (M+H)+
Nicotinic acid
ME201209
938
-
1.06
123.0297
HYPOXANTHINE (M+NA)+
Hypoxanthine
ME201178
790
-
1.07
136.0366
LUMICHROME (M+H)+
Lumichrome
ME201195
5326566
-
10.84
242.0826
PYRIDOXINE (M+H)+
Pyridoxine
ME201223
1054
-
1.11
169.0745
HYPOXANTHINE (M+H)+
Hypoxanthine
ME201177
790
-
1.13
136.04
OCTANOYLCARNITINE (*) (M+H)+
CAR 8:0
ME201210
123701
-
11.73
287.2098
5-OXOPROLINE (M+H)+
Pyroglutamic acid
ME201135
7405
-
1.18
129.0402
DGDP (M+H)+
dGDP
ME201161
439220
-
1.19
427.027
XANTHINE (M+H)+
Xanthine
ME201242
1188
-
1.25
152.0312
SEBACIC ACID (M+NA)+
Sebacic acid
ME201226
5192
-
12.81
202.1211
SEBACIC ACID (M+H)+[-H2O]
Sebacic acid
ME201225
5192
-
12.82
202.1209
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O]
-
ME201179
10444113
-
12.85
236.1058
IBUPROFEN CARBOXYLIC ACID (M+NA)+
-
ME201180
10444113
-
12.85
236.1052
PURINE (M+H)+
Purine
ME201222
1044
-
1.32
120.0437
TYROSINE (M+H)+
Tyrosine
ME201238
6057
-
1.33
181.0708
ISOLEUCINE (M+H)+
Isoleucine
ME201183
6306
-
1.55
131.0944
ISOLEUCINE (M+NA)+
Isoleucine
ME201184
6306
-
1.55
131.0932
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+
CAR 12:0;OH
ME201131
71464535
-
15.98
359.2659
PROSTAGLANDIN E2 (M+H)+[-H2O]
PGE2
ME201220
5280360
-
16.66
352.2284
PROSTAGLANDIN E2 (M+NA)+
PGE2
ME201221
5280360
-
16.67
352.2273
PROSTAGLANDIN E2 (M+H)+
PGE2
ME201219
5280360
-
16.71
352.2235
THYMINE (M+H)+
Thymine
ME201235
1135
-
1.72
126.0429
5-HYDROXYTRYPTOPHAN (M+H)+
5-Hydroxy-tryptophan
ME201134
439280
-
1.76
220.0868
TAUROCHOLIC ACID (M+H)+[-H2O]
Taurocholic acid
ME201232
6675
-
18.08
515.2923
6-HYDROXYNICOTINIC ACID (M+H)+
6-Hydroxynicotinic acid
ME201136
72924
-
1.84
139.0258
BILIVERDIN (M+H)+
Biliverdin
ME201143
5280353
-
18.54
582.251
GLUTARYLCARNITINE (*) (M+H)+
CAR DC5:0
ME201168
53481622
-
1.86
275.1374
GLYCOCHOLIC ACID (M+NA)+
Glycocholic acid
ME201174
10140
-
18.74
465.3093
GLYCOCHOLIC ACID (M+H)+
Glycocholic acid
ME201172
10140
-
18.75
465.3091
GLYCOCHOLIC ACID (M+H)+[-H2O]
Glycocholic acid
ME201173
10140
-
18.75
465.3092
TAUROCHENODEOXYCHOLIC ACID (M+H)+
Taurochenodeoxycholic acid
ME201231
387316
-
20.09
499.2966
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+
Glycochenodeoxycholic acid
ME201171
9548796
-
20.53
449.3143
GLYCOCHENODEOXYCHOLIC ACID (M+H)+
Glycochenodeoxycholic acid
ME201170
9548796
-
20.54
449.3144
LEUKOTRIENE B4 (M+NA)+
LTB4
ME201193
5280492
-
20.81
336.2334
EICOSADIENOYLCARNITINE (*) (M+H)+
CAR 20:2
ME201162
71464509
-
21.57
451.3727
DEOXYCHOLIC ACID (M+NA)+
Deoxycholic acid
ME201157
222528
-
21.66
392.2925
KYNURENINE (M+H)+
Kynurenine
ME201187
161166
-
2.18
208.0859
GLYCEROL MYRISTATE (M+NA)+
MG 14:0
ME201169
79050
-
22.15
302.2473
16:0 LYSO PC (M+H)+
LPC 16:0
ME201122
460602
-
22.32
495.3333
16:0 LYSO PC (M+NA)+
LPC 16:0
ME201123
460602
-
22.32
495.3337
OLEIC ACID (M+H)+
Oleic acid
ME201212
445639
-
22.54
282.2556
OLEAMIDE (M+H)+
Oleamide
ME201211
5283387
-
22.66
281.272
18:0 LYSO-PE (M+H)+
LPE 18:0
ME201127
9547068
-
22.71
481.3198
OLEOYL-GLYCEROL (M+H)+
MG 18:1
ME201213
5319879
-
22.71
356.2932
18:0 LYSO-PE (2M+NA)+
LPE 18:0
ME201126
9547068
-
22.72
481.3236
18:0 LYSO-PE (M+NA)+
LPE 18:0
ME201128
9547068
-
22.72
481.3213
OLEOYL-GLYCEROL (M+NA)+
MG 18:1
ME201214
5319879
-
22.72
356.2939
DECANOIC ACID (2M+NA)+
Capric acid
ME201156
2969
-
22.78
172.147
XANTHOSINE (M+H)+
Xanthosine
ME201243
64959
-
2.28
284.0778
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]
25-Hydroxycholesterol
ME201130
65094
-
22.85
402.3523
GAMMA-LINOLENIC ACID (M+NA)+
gamma-Linolenic acid
ME201166
5280933
-
22.87
278.2235
20:0 LYSO PC (M+NA)+
LPC 20:0
ME201129
24779473
-
22.94
551.3943
ELAIDIC ACID (M+H)+
Elaidic acid
ME201163
637517
-
22.94
282.2569
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
bis(2-Ethylhexyl)phthalic acid
ME201144
8343
-
23.12
390.2785
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
bis(2-Ethylhexyl)phthalic acid
ME201145
8343
-
23.12
390.2782
DESMOSTEROL (M+H)+[-H2O]
Desmosterol
ME201158
439577
-
24.13
384.342
1-METHYLXANTHINE (M+H)+
1-Methylxanthine
ME201121
80220
-
2.43
166.0475
3-METHYLXANTHINE (M+H)+
3-Methylxanthine
ME201132
70639
-
2.43
166.0522
ALPHA-TOCOPHEROL (M+H)+
alpha-Tocopherol
ME201140
14985
-
24.44
430.3793
CHOLESTEROL (M+H)+[-H2O]
Cholesterol
ME201150
5997
-
24.52
386.355
16:0-18:0 PC (M+H)+
PC 16:0_18:0
ME201124
18631368
-
25.39
761.5839
16:0-18:0 PC (M+NA)+
PC 16:0_18:0
ME201125
18631368
-
25.41
761.5859
THYMIDINE (M+H)+
Thymidine
ME201234
5789
-
2.58
242.0941
ACETAMINOPHEN (TN TYLENOL) (M+H)+
Acetaminophen
ME201137
1983
-
3.05
151.061
PANTOTHENIC ACID (M+H)+
Pantothenic acid
ME201216
6613
-
3.17
219.1125
THEOBROMINE (M+H)+
Theobromine
ME201233
5429
-
3.45
180.0648
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME201192
16217285
-
3.55
206.0851
TRYPTOPHAN (M+H)+
Tryptophan
ME201236
6305
-
3.55
204.0889
TRYPTOPHAN (M+NA)+
Tryptophan
ME201237
6305
-
3.55
204.0906
ZEATIN [ISTD] (M+H)+
trans-Zeatin
ME201244
449093
-
3.87
219.1127
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]
N-Acetylmethionine
ME201203
448580
-
3.94
191.0618
N-ACETYL-DL-METHIONINE (M+H)+
N-Acetylmethionine
ME201202
448580
-
3.95
191.0616
5'-METHYLTHIOADENOSINE (M+H)+
5'-Methylthioadenosine
ME201133
439176
-
4.45
297.0915
ISOVALERYLCARNITINE (*) (M+H)+
CAR 4:0;3Me
ME201185
169235
-
4.52
245.1617
KYNURENIC ACID (M+H)+
Kynurenic acid
ME201186
3845
-
4.89
189.0428
CAFFEINE (M+H)+
Caffeine
ME201147
2519
-
5.86
194.0841
HEXANOYLCARNITINE (*) M+
CAR 6:0
ME201175
3246939
-
7
260.1881
N-ACETYL-L-LEUCINE (M+H)+
N-Acetylleucine
ME201205
75619
-
7
173.105
LEVORPHANOL (M+H)+
Levorphanol
ME201194
5359272
-
7.21
257.1731
N-ACETYL-L-PHENYLALANINE (M+H)+
N-Acetylphenylalanine
ME201206
74839
-
7.53
207.0902
DETHIOBIOTIN (M+H)+
Dethiobiotin
ME201160
445027
-
8.16
214.1318
INDOLE-3-ACETIC ACID (M+H)+
Indoleacetic acid
ME201181
802
-
8.25
175.064
DETHIOBIOTIN (2M+H)+
Dethiobiotin
ME201159
445027
-
8.32
214.1282
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel