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Return to study ST000741 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 (CAS# 1190-94-9); (...
-
ME205109
83228
-
0.566
162.0995
LYSINE (CAS# 56-87-1); (M-H)-
Lysine
ME205047
5962
-
0.59
146.1052
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O]
Glucose
ME205001
5793
-
0.598
180.0617
2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE (CAS# 422...
N-Acetyl-beta-glucosaminylamine
ME204889
46779877
-
0.608
220.105
D-ORNITHINE (CAS# 348-66-3); (M-H)-
D-Ornithine
ME204966
6262
-
0.617
132.0891
L-ORNITHINE (CAS# 70-26-8); (M-H)-
Ornithine
ME205036
6262
-
0.617
132.0892
CYTIDINE (CAS# 65-46-3); (M-H)-
Cytidine
ME204957
6175
-
0.618
243.0864
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...
-
ME205032
16217579
-
0.619
176.1054
D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)-
Galactosamine
ME204960
3034366
-
0.624
179.0783
D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)-
Glucosamine
ME204961
439213
-
0.624
179.0783
MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME205053
439186
-
0.627
342.1129
CARNOSINE (CAS# 305-84-0); (M-H)-
Carnosine
ME204940
439224
-
0.629
226.1055
L-ARGININE (CAS# 74-79-3); (M-H)-
Arginine
ME205031
6322
-
0.63
174.112
HOMOSERINE (CAS# 672-15-1); (M-H)-
Homoserine
ME205020
12647
-
0.631
119.0581
L-HISTIDINE (CAS# 71-00-1); (M-H)-
Histidine
ME205035
6274
-
0.631
155.0691
SERINE (CAS# 56-45-1); (M-H)-
Serine
ME205129
617
-
0.633
105.0431
L-ALLOTHREONINE (CAS# 28954-12-3); (M-H)-
Allothreonine
ME205030
99289
-
0.635
119.0581
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME204938
439186
-
0.637
342.1129
GLUTAMINE (CAS# 56-85-9); (M-H)-
Glutamine
ME205007
5961
-
0.637
146.0683
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-
Melibiose
ME205057
440658
-
0.637
342.1129
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-
Palatinose
ME205096
439559
-
0.637
342.1129
SUCROSE (CAS# 57-50-1); (M+HCOO)-
Sucrose
ME205136
5988
-
0.637
342.1129
MALEAMATE (CAS# 557-24-4); (M-H)-
Maleamate
ME205050
5280451
-
0.639
115.0274
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
N-Acetylneuraminic acid
ME205076
439197
-
0.642
309.1061
ASPARTATE (CAS# 56-84-8); (M-H)-
Aspartic acid
ME204933
5960
-
0.65
133.0369
TAURINE (CAS# 107-35-7); (M-H)-
Taurine
ME205138
1123
-
0.653
125.0143
GLYCINE (CAS# 56-40-6); (M-H)-
Glycine
ME205012
750
-
0.655
75.0318
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-
N-Acetylaspartic acid
ME205072
65065
-
0.661
175.0464
GLUTAMATE (CAS# 56-86-0); (M-H)-
Glutamic acid
ME205006
33032
-
0.662
147.0521
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-
N-Methyl-D-aspartic acid
ME205079
4376
-
0.662
147.0521
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+CL)-
N-Nitrosodiethanolamine
ME205080
14223
-
0.664
134.0691
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-
N-Acetylserine
ME205070
65249
-
0.672
147.0521
CYTIDINE (CAS# 65-46-3); (M+CL)-
Cytidine
ME204955
6175
-
0.674
243.0843
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]
Threonine
ME205139
6288
-
0.676
119.0572
CYTIDINE (CAS# 65-46-3); (M+HCOO)-
Cytidine
ME204956
6175
-
0.678
243.0848
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-
Glucuronic acid
ME205005
94715
-
0.683
194.0415
D-LYXOSE (CAS# 1114-34-7); (M+CL)-
Lyxose
ME204963
65550
-
0.691
150.0516
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-
sn-Glycero-2-phosphate
ME205011
2526
-
0.691
172.0128
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)-
Guanidinosuccinic acid
ME205077
439918
-
0.691
175.0576
RIBOSE (CAS# 50-69-1); (M+CL)-
Ribose
ME205122
5779
-
0.691
150.0516
2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ...
Phosphoethanolamine
ME204890
1015
-
0.692
141.0187
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-
Fructose
ME204990
5984
-
0.692
180.0624
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-
N-Acetylglucosamine
ME205066
446101
-
0.696
221.0886
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-
N-Acetyl-mannosamine
ME205067
53477792
-
0.696
221.0886
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-
N-Acetylgalactosamine
ME205075
35717
-
0.696
221.0886
3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)-
3-Sulfino-alanine
ME204907
109
-
0.704
153.0086
L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O]
Gulonic acid
ME205033
152304
-
0.705
196.0592
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H...
CDP-choline
ME204958
13804
-
0.707
488.1058
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)...
gamma-Glutamylcysteine
ME204992
123938
-
0.708
250.0647
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)-
o-Succinylhomoserine
ME205089
439406
-
0.709
219.0722
RAFFINOSE (CAS# 512-69-6); (M+CL)-
Raffinose
ME205116
439242
-
0.709
504.1657
D-PSICOSE (CAS# 551-68-8); (M+CL)-
Psicose
ME204967
90008
-
0.71
180.0617
D-TAGATOSE (CAS# 87-81-0); (M+CL)-
D-Tagatose
ME204968
90008
-
0.71
180.0617
FRUCTOSE (CAS# 57-48-7); (M+CL)-
Fructose
ME204989
5984
-
0.71
180.0617
GLUCOSE (CAS# 50-99-7); (M+CL)-
Glucose
ME205002
5793
-
0.71
180.0617
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)-
Phosphoethanolamine
ME204985
1015
-
0.711
141.0187
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME204937
439186
-
0.712
342.1172
CELLOBIOSE (CAS# 528-50-7); (M+CL)-
Cellobiose
ME204941
294
-
0.712
342.1172
LACTOSE (CAS# 63-42-3); (M+CL)-
Lactose
ME205040
440995
-
0.712
342.1172
MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME205052
439186
-
0.712
342.1172
MELIBIOSE (CAS# 585-99-9); (M+CL)-
Melibiose
ME205056
440658
-
0.712
342.1172
PALATINOSE (CAS# 343336-76-5); (M+CL)-
Palatinose
ME205095
439559
-
0.712
342.1172
SUCROSE (CAS# 57-50-1); (M+CL)-
Sucrose
ME205135
5988
-
0.712
342.1172
STACHYOSE (CAS# 54261-98-2); (M+CL)-
Stachyose
ME205130
439531
-
0.713
666.2198
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]
Maltose
ME204936
439186
-
0.715
342.1142
XYLOSE (CAS# 58-86-6); (M+HCOO)-
Xylose
ME205163
135191
-
0.715
150.0518
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]
Glucose
ME205000
5793
-
0.719
180.0647
D-LYXOSE (CAS# 1114-34-7); (M-H)-
Lyxose
ME204965
65550
-
0.72
150.0514
RAFFINOSE (CAS# 512-69-6); (M+HCOO)-
Raffinose
ME205117
439242
-
0.72
504.1643
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...
Galactose 1-phosphate
ME204929
123912
-
0.728
260.0297
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-
Glucose 1-phosphate
ME205003
65533
-
0.728
260.0298
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-
Mannose 6-phosphate
ME205055
439198
-
0.728
260.0298
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
Gluconic acid
ME204999
10690
-
0.739
196.0575
L-GULONATE (CAS# 6322-07-2); (M-H)-
Gulonic acid
ME205034
152304
-
0.739
196.0575
CITRULLINE (CAS# 372-75-8); (M-H)-
Citrulline
ME204949
9750
-
0.744
175.094
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-
Glucose 6-phosphate
ME204962
5958
-
0.746
260.0311
PYRUVATE (CAS# 127-17-3); (M-H)-
Pyruvic acid
ME205115
1060
-
0.751
88.0157
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-
Arabinose
ME204959
66308
-
0.753
150.0517
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-
Lyxose
ME204964
65550
-
0.753
150.0518
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-
Glucuronic acid
ME205004
94715
-
0.759
194.0428
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M-H)+
DL-O-Phosphoserine
ME205086
106
-
0.764
185.0101
MALATE (CAS# 97-67-6); (M-H)+[-H2O]
Malic acid
ME205048
222656
-
0.768
134.0218
3-PHOSPHOGLYCERATE (CAS# ); (M-H)-
3-Phosphoglyceric acid
ME204906
439183
-
0.771
185.9942
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-
5-Aminopentanoic acid
ME204919
138
-
0.774
117.0781
VALINE (CAS# 72-18-4); (M-H)-
Valine
ME205160
6287
-
0.774
117.0781
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)-
Ribose 5-phosphate
ME205123
439167
-
0.775
230.0197
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-
4,5-Dihydroorotic acid
ME204880
1149667
-
0.775
158.0326
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)+[-H2O]
UDP-N-acetylgalactosamine
ME205151
23724461
-
0.785
607.0791
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M-H)-
DL-O-Phosphoserine
ME205087
106
-
0.787
185.0083
O-PHOSPHOSERINE (CAS# 407-41-0); (M-H)-
DL-O-Phosphoserine
ME205088
68841
-
0.787
185.0083
3'-CMP (CAS# 63-37-6); (M-H)-
3'-CMP
ME204899
66535
-
0.789
323.0546
CMP (CAS# 63-37-6); (M-H)-
CMP
ME204950
6131
-
0.789
323.0546
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
Glucaric acid
ME204998
33037
-
0.789
210.0373
ISOCITRATE (CAS# 320-77-4); (M-H)-
Isocitric acid
ME205024
5318532
-
0.798
192.0257
MALATE (CAS# 97-67-6); (M-H)-
Malic acid
ME205049
222656
-
0.8
134.0212
S-CARBOXYMETHYL-L-CYSTEINE (CAS# 638-23-3); (M-H)-
S-Carboxymethyl-cysteine
ME205126
193653
-
0.8
179.0236
STACHYOSE (CAS# 54261-98-2); (M-H)-
Stachyose
ME205131
439531
-
0.8
666.217
LACTOSE (CAS# 63-42-3); (M-H)-
Lactose
ME205041
440995
-
0.803
342.1187
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-
Choline phosphate
ME204942
1014
-
0.81
183.0671
PINITOL (CAS# 10284-63-6); (M+CL)-
Pinitol
ME205108
164619
-
0.81
194.0796
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)-
UDP-N-acetylgalactosamine
ME205152
23724461
-
0.812
607.0821
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M-H)-
3-Dehydroshikimate
ME204901
439774
-
0.816
172.0384
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCO...
Methyl beta-D-galactoside
ME205060
94214
-
0.822
194.0774
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-
2-Deoxy-glucose
ME204891
439268
-
0.823
164.0672
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-
Rhamnose
ME205037
25310
-
0.823
164.0672
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...
Methyl beta-D-galactoside
ME205059
94214
-
0.828
194.0796
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)-
Phosphocreatine
ME205104
9548602
-
0.837
211.0344
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
Dehydroascorbic acid
ME204970
210328
-
0.847
174.0157
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME204878
440473
-
0.859
198.065
GDPMANNOSE (CAS# ); (M-H)-
GDP-mannose
ME204994
18396
-
0.86
605.0766
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-
Deoxycytidine
ME204972
13711
-
0.894
227.0912
ADP-RIBOSE (CAS# ); (M-H)-
ADP-ribose
ME204926
33576
-
0.903
559.0702
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-
UMP
ME205158
6030
-
0.917
324.0387
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-
Deoxycytidine
ME204973
13711
-
0.936
227.0902
UROCANATE (CAS# 104-98-3); (M-H)-
Urocanic acid
ME205159
736715
-
0.95
138.0425
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-
Dehydroascorbic acid
ME204969
210328
-
0.959
174.0174
DGDP (CAS# 653-63-4); (M-H)-
dGDP
ME204978
439220
-
0.983
427.0274
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)-
GMP
ME205016
6804
-
0.991
363.0563
URATE (CAS# 69-93-2); (M-H)-
Uric acid
ME205154
1175
-
1.016
168.0282
ADPGLUCOSE (CAS# ); (M-H)-
ADP-glucose
ME204927
16500
-
1.018
589.083
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-...
-
ME205015
451
-
1.018
589.083
METHIONINE (CAS# 63-68-3); (M-H)-
Methionine
ME205058
6137
-
1.027
149.0505
NAD (CAS# 53-84-9); (M-H)-
NAD
ME205082
5893
-
1.04
663.1094
CITRATE (CAS# 77-92-9); (M-H)-
Citric acid
ME204948
311
-
1.043
192.0272
AZELAIC ACID (CAS# 123-99-9); (M-H)-
Azelaic acid
ME204934
2266
-
10.827
188.1051
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...
Cycloheptanecarboxylic acid
ME204954
15091
-
10.827
142.0996
LUMICHROME (CAS# 1086-80-2); (M-H)-
Lumichrome
ME205046
5326566
-
11.019
242.0809
PICOLINIC ACID (CAS# 98-98-6); (M-H)-
Picolinic acid
ME205107
1018
-
1.111
123.0319
OMEPRAZOLE (CAS# 73590-58-6); (M-H)-
Omeprazole
ME205091
4594
-
11.13
345.1165
MALEIC ACID (CAS# 110-16-7); (M-H)-
Maleic acid
ME205051
444266
-
1.125
116.011
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-
1,2,3-Propanetricarboxylic acid
ME205145
14925
-
1.126
176.0319
HYPOXANTHINE (CAS# 68-94-0); (M-H)-
Hypoxanthine
ME205022
790
-
1.129
136.0378
PROPENOATE (CAS# 79-10-7); (M-H)-
Acrylic acid
ME205110
6581
-
1.132
72.0218
NICOTINATE (CAS# 59-67-6); (M-H)-
Nicotinic acid
ME205084
938
-
1.139
123.0318
EDTA (CAS# 60-00-4); (M-H)-
Edetic acid
ME204981
6049
-
1.145
292.0904
CIS-ACONITATE (CAS# 585-84-2); (M-H)-
cis-Aconitic acid
ME204943
643757
-
1.158
174.0165
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
trans-Aconitic acid
ME205142
444212
-
1.158
174.0165
PYRIDOXINE (CAS# 65-23-6); (M-H)-
Pyridoxine
ME205114
1054
-
1.187
169.0725
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
Pyroglutamic acid
ME204921
7405
-
1.195
129.0428
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-
AMP
ME204924
6083
-
1.227
347.065
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-
Ophthalmic acid
ME205092
7018721
-
1.244
289.1271
URIDINE (CAS# 58-96-8); (M+HCOO)-
Uridine
ME205156
6029
-
1.252
244.0694
FUMARATE (CAS# 110-17-8); (M-H)-
Fumaric acid
ME204991
444972
-
1.258
116.0112
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2
Oxidized glutathione
ME205093
65359
-
1.284
612.1503
XANTHINE (CAS# 69-89-6); (M-H)-
Xanthine
ME205161
1188
-
1.297
152.0331
SEBACIC ACID (CAS# 111-20-6); (M-H)-
Sebacic acid
ME205128
5192
-
13.046
202.1208
SUCCINATE (CAS# 110-15-6); (M-H)-
Succinic acid
ME205134
1110
-
1.311
118.0267
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)-
N-Acetylglutamic acid
ME205068
185
-
1.319
189.0632
METHYLMALONATE (CAS# 516-05-2); (M-H)-
Methylmalonic acid
ME205061
487
-
1.32
118.0267
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-
Jasmonic acid
ME205027
5281166
-
13.236
210.1255
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-
Jasmonic acid
ME205028
5281166
-
13.238
210.1258
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M-H)-
Pyridoxal 5'-phosphate
ME205113
1051
-
1.334
247.0256
URIDINE (CAS# 58-96-8); (M+CL)-
Uridine
ME205155
6029
-
1.337
244.0703
PHOSPHOENOLPYRUVATE (CAS# 138-08-9); (M-H)-
Phosphoenolpyruvic acid
ME205105
1005
-
1.339
167.9826
DGMP (CAS# 902-04-5); (M-H)-
dGMP
ME204979
6994968
-
1.344
347.065
CORTISONE (CAS# 53-06-5); (M+CL)-
Cortisone
ME204952
222786
-
13.477
360.1942
CORTISONE (CAS# 53-06-5); (M+HCOO)-
Cortisone
ME204953
222786
-
13.48
360.1942
TYROSINE (CAS# 60-18-4); (M-H)-
Tyrosine
ME205148
6057
-
1.356
181.0737
URIDINE (CAS# 58-96-8); (M-H)-
Uridine
ME205157
6029
-
1.371
244.0691
GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Glutathione
ME205009
124886
-
1.372
612.1533
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Oxidized glutathione
ME205094
65359
-
1.372
612.1533
CITRAMALATE (CAS# 2306-22-1); (M-H)-
Citramalic acid
ME204947
441696
-
1.375
148.0366
CORTISOL (CAS# 50-23-7); (M+HCOO)-
Cortisol
ME204951
5754
-
13.903
362.2102
(-)-SALSOLINOL (CAS# 27740-96-1); (M+CL)-
Salsolinol
ME204877
7157331
-
1.434
179.0952
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)-
S-Adenosylhomocysteine
ME205124
439155
-
1.448
384.1231
PTERIN (CAS# 2236-60-4); (M-H)-
Pterin
ME205112
73000
-
1.513
163.051
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)-
UDP-N-acetylglucosamine
ME205153
445675
-
1.519
607.083
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
N-Acetylalanine
ME205071
88064
-
1.527
131.0577
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)-
UDP-galactose
ME205149
44134987
-
1.54
566.0563
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-
S-Adenosylhomocysteine
ME205125
439155
-
1.559
384.1223
UDP-GLUCOSE (CAS# 133-89-1); (M-H)-
UDP-glucose
ME205150
53477679
-
1.568
566.0561
LEUCINE (CAS# 328-39-2); (M-H)-
Leucine
ME205042
6106
-
1.57
131.0945
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-
Oxoadipic acid
ME204896
71
-
1.572
160.0368
ISOLEUCINE (CAS# 73-32-5); (M-H)-
Isoleucine
ME205025
6306
-
1.573
131.0945
NORLEUCINE (CAS# 327-57-1); (M-H)-
Norleucine
ME205085
21236
-
1.584
131.0945
MEVALONIC ACID (CAS# 674-26-0); (M-H)-
Mevalonic acid
ME205062
439230
-
1.644
148.0723
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...
3-Hydroxymethylglutaric acid
ME204902
1662
-
1.646
162.0525
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
Allose
ME204928
439507
-
1.646
180.0642
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-
Deoxyuridine
ME204975
13712
-
1.646
228.0766
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
Glyceraldehyde
ME205010
79014
-
1.646
90.0315
ITACONATE (CAS# 97-65-4); (M-H)-
Itaconic acid
ME205026
811
-
1.656
130.027
DEOXYURIDINE (CAS# 951-78-0); (M-H)-
Deoxyuridine
ME204976
13712
-
1.683
228.0748
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-
PGE2
ME205111
5280360
-
16.865
352.2241
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]
TXB2
ME205140
5283137
-
16.865
370.2346
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-
Citraconic acid
ME204895
643798
-
1.72
130.027
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-
4-Pyridoxic acid
ME204916
6723
-
1.722
183.0524
ADENOSINE (CAS# 58-61-7); (M+HCOO)-
Adenosine
ME204923
60961
-
1.78
267.0951
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-
5-Hydroxy-tryptophan
ME204920
439280
-
1.792
220.0831
2'-DEOXYINOSINE (CAS# 890-38-0); (M+CL)-
Deoxyinosine
ME204888
65058
-
1.806
252.0874
INOSINE (CAS# 58-63-9); (M-H)-
Inosine
ME205023
6021
-
1.842
268.0812
GUANOSINE (CAS# 118-00-3); (M-H)-
Guanosine
ME205014
6802
-
1.854
283.091
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-
Glycocholic acid
ME205013
10140
-
18.95
465.3091
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...
24-epi-Brassinolide
ME204984
115196
-
19.892
480.3466
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-
24-epi-Brassinolide
ME204983
115196
-
19.893
480.3464
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-
LTB4
ME205043
5280492
-
20.547
336.2296
GLUTARATE (CAS# 110-94-1); (M-H)-
Glutaric acid
ME205008
743
-
2.061
132.0415
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-
Deoxycholic acid
ME204971
222528
-
21.734
392.2892
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-
Myristoleic acid
ME205065
5281119
-
21.898
226.1928
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
LPC 16:0
ME204884
460602
-
22.225
495.333
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-
LPC 16:0
ME204883
460602
-
22.234
495.3369
KYNURENINE (CAS# 343-65-7); (M-H)-
Kynurenine
ME205029
161166
-
2.231
208.0839
RETINOATE (CAS# 302-79-4); (M-H)-
Retinoic acid
ME205118
444795
-
22.318
300.2112
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-
1-Methyluric acid
ME204882
69726
-
2.238
182.0427
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
Myristic acid
ME205064
11005
-
22.491
228.2091
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+CL)-
N-Oleoyl glycine
ME205081
6436908
-
22.53
339.2765
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
Palmitoleic acid
ME205098
445638
-
22.632
254.225
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
LPE 18:0
ME204887
9547068
-
22.699
481.3173
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-
Docosahexaenoic acid
ME204980
445580
-
22.721
328.2411
ARACHIDONATE (CAS# 506-32-1); (M-H)-
Arachidonic acid
ME204932
444899
-
22.733
304.2408
LINOLEATE (CAS# 60-33-3); (M-H)-
Linoleic acid
ME205045
5280450
-
22.756
280.2409
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME204939
46891735
-
22.862
643.5085
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
alpha-Linolenic acid
ME204930
5280934
-
22.879
278.2227
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
gamma-Linolenic acid
ME204993
5280933
-
22.879
278.2229
PALMITATE (CAS# 57-10-3); (M-H)-
Palmitic acid
ME205097
985
-
22.88
256.2404
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-
LPC 20:0
ME204897
24779473
-
22.883
551.3963
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
Hyodeoxycholic acid
ME205021
5283820
-
22.894
392.2956
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
cis-Vaccenic acid
ME204944
5282761
-
22.956
282.2563
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
Elaidic acid
ME204982
637517
-
22.956
282.2563
OLEIC ACID (CAS# 112-80-1); (M-H)-
Oleic acid
ME205090
445639
-
22.956
282.2563
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
trans-Vaccenic acid
ME205143
5281127
-
22.956
282.2563
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
Margaric acid
ME205017
10465
-
23.012
270.256
XANTHOSINE (CAS# 146-80-5); (M-H)-
Xanthosine
ME205162
64959
-
2.321
284.0761
STEARATE (CAS# 57-11-4); (M-H)-
Stearic acid
ME205132
5281
-
23.214
284.2716
PHYTANATE (CAS# 14721-66-5); (M-H)-
Phytanic acid
ME205106
10380830
-
23.289
312.302
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-
Arachidic acid
ME204931
10467
-
23.445
312.3021
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-
Paracetamol sulfate
ME204908
83939
-
2.391
231.0198
BEHENIC ACID (CAS# 112-85-6); (M-H)-
Behenic acid
ME204935
8215
-
24.14
340.3347
NERVONIC ACID (CAS# 506-37-6); (M-H)-
Nervonic acid
ME205083
5281120
-
24.212
366.3501
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-
Tricosylic acid
ME205146
17085
-
24.441
354.3499
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-
Lignoceric acid
ME205044
11197
-
24.804
368.3653
PHENYLALANINE (CAS# 63-91-2); (M-H)-
Phenylalanine
ME205102
6140
-
2.554
165.0791
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-
PC 16:0_18:0
ME204885
18631368
-
25.564
761.5999
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-
PC 16:0_18:0
ME204886
18631368
-
25.714
761.5929
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-
Cerotic acid
ME205018
10469
-
25.724
396.3946
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
Ethylmalonic acid
ME204986
11756
-
2.578
132.0418
THYMIDINE (CAS# 50-89-5); (M+CL)-
Thymidine
ME205141
5789
-
2.64
242.0893
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-
SM 18:1;O2/24:0
ME204898
44260127
-
28.146
814.6953
TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)-
Melissic acid
ME205144
10471
-
28.853
452.4571
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-
1-Methyladenosine
ME204881
27476
-
3.287
281.111
PANTOTHENATE (CAS# 79-83-4); (M+CL)-
Pantothenic acid
ME205099
6613
-
3.299
219.1109
PANTOTHENATE (CAS# 79-83-4); (M-H)-
Pantothenic acid
ME205100
6613
-
3.303
219.1113
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...
2-Hydroxy-4-(methylthio)butanoic acid
ME204893
11427
-
3.403
150.0336
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME204892
853180
-
3.539
118.0635
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
2-Methylglutaric acid
ME204894
12046
-
3.609
146.0585
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-
Methylglutaric acid
ME204904
12284
-
3.609
146.0585
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-
Adipic acid
ME204925
196
-
3.609
146.0585
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-
Monomethyl glutaric acid
ME205063
73917
-
3.609
146.0585
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
Tryptophan
ME205038
16217285
-
3.677
206.0845
TRYPTOPHAN (CAS# 73-22-3); (M-H)-
Tryptophan
ME205147
6305
-
3.678
204.0892
DEOXYGUANOSINE 5'-TRIPHOSPHATE (CAS# 2564-35-4); (...
dGTP
ME204974
65103
-
3.733
506.9966
DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)-
3'-Dephospho-CoA
ME204977
444485
-
3.772
687.1486
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
Phenyl acetate
ME205101
999
-
3.837
136.0525
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...
Hydroxyphenyllactic acid
ME204900
9378
-
3.838
182.058
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
cis-Zeatin
ME204946
688597
-
3.943
219.1127
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-
trans-Zeatin
ME205165
449093
-
3.943
219.1126
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
cis-Zeatin
ME204945
688597
-
3.944
219.1126
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-
trans-Zeatin
ME205164
449093
-
3.944
219.1126
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-
4-Hydroxybenzoic acid
ME204910
135
-
4.08
138.0313
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
N-Acetylmethionine
ME205069
448580
-
4.11
191.0612
N-CYCLOHEXYLSULFAMIC ACID (CAS# 100-88-9); (2M-H)-
Cyclamic acid
ME205078
7533
-
4.301
179.0608
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...
3-Methyl-2-oxovaleric acid
ME204879
47
-
4.365
130.0632
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
5'-Methylthioadenosine
ME204917
439176
-
4.538
297.0902
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-
5'-Methylthioadenosine
ME204918
439176
-
4.539
297.0903
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-
Ketoleucine
ME204911
70
-
4.774
130.0632
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-
Ketoleucine
ME204912
70
-
4.774
130.0632
HIPPURATE (CAS# 495-69-2); (M-H)-
Hippuric acid
ME205019
464
-
4.853
179.058
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME204909
3845
-
4.981
189.0414
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-
Phenylpyruvic acid
ME205103
997
-
5.376
164.0463
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
2-Aminobenzoic acid
ME205039
227
-
5.407
138.0448
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)-
4-Nitrocatechol
ME204914
3505109
-
5.445
155.0219
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-
3-Methyladipic acid
ME204905
12292
-
5.762
160.0737
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-
Pimelic acid
ME204922
385
-
5.762
160.0737
FOLIC ACID (CAS# 59-30-3); (M-H)-
Folic acid
ME204988
6037
-
5.944
441.1403
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)...
FAD
ME204987
643975
-
6.321
785.1577
MANDELIC ACID (CAS# 611-71-2); (M-H)-
Mandelic acid
ME205054
11914
-
6.636
152.0471
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
4-Nitrophenol
ME204915
980
-
7.108
139.0271
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-
N-Acetylleucine
ME205073
75619
-
7.227
173.1042
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-
Riboflavin
ME205120
493570
-
7.688
376.1402
RIBOFLAVIN (CAS# 83-88-5); (M+CL)-
Riboflavin
ME205119
493570
-
7.694
376.1381
RIBOFLAVIN (CAS# 83-88-5); (M-H)-
Riboflavin
ME205121
493570
-
7.694
376.1399
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-
N-Acetylphenylalanine
ME205074
74839
-
7.795
207.0896
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-
3-Hydroxyphenylacetic acid
ME204903
12122
-
7.927
152.0468
SUBERIC ACID (CAS# 505-48-6); (M-H)-
Suberic acid
ME205133
10457
-
8.332
174.089
SALICYLATE (CAS# 69-72-7); (M-H)-
Salicylic acid
ME205127
338
-
8.336
138.0319
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-
4-Nitrobenzoic acid
ME204913
101532566
-
8.488
167.0218
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-
Gibberellin A3
ME204995
6466
-
8.579
346.1411
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-
Gibberellin A3
ME204997
6466
-
8.58
346.1423
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
Gibberellin A3
ME204996
6466
-
8.582
346.1419
SULFADIMETHOXINE (CAS# 122-11-2); (M-H)-
Sulfadimethoxine
ME205137
5323
-
9.385
310.0738
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+
Trigonelline
ME205415
5570
-
0.507
137.0465
1-(4-HYDROXYPHENYL)-2-AMINOETHANOL (CAS# 104-14-3)...
-
ME205168
4581
-
0.51
153.0781
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+
Galactitol
ME205307
11850
-
0.515
182.0794
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME205461
83228
-
0.538
162.1
SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+
Selenocystamine
ME205484
115119
-
0.548
247.9343
D-ORNITHINE (CAS# 348-66-3); (M+H)+[-H2O]
D-Ornithine
ME205284
6262
-
0.554
132.0896
LYSINE (CAS# 56-87-1); (M+H)+
Lysine
ME205377
5962
-
0.558
146.106
PIPECOLATE (CAS# 535-75-1); (M+H)+
Pipecolic acid
ME205457
849
-
0.558
129.0787
D-ORNITHINE (CAS# 348-66-3); (M+H)+
D-Ornithine
ME205283
6262
-
0.559
132.0891
L-ORNITHINE (CAS# 70-26-8); (M+H)+
Ornithine
ME205359
6262
-
0.559
132.0891
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME205460
83228
-
0.559
162.1001
SPERMIDINE (CAS# 124-20-9); (M+H)+
Spermidine
ME205488
1102
-
0.564
145.1577
HOMOSERINE (CAS# 672-15-1); (M+NA)+
Homoserine
ME205339
12647
-
0.571
119.0574
LYSINE (CAS# 56-87-1); (M+NA)+
Lysine
ME205378
5962
-
0.572
146.1058
SPERMINE (CAS# 71-44-3); (M+H)+
Spermine
ME205489
1103
-
0.582
202.2146
SHIKIMATE (CAS# 138-59-0); (M+NA)+
Shikimic acid
ME205486
8742
-
0.6
174.0538
CARNOSINE (CAS# 305-84-0); (M+H)+
Carnosine
ME205258
439224
-
0.603
226.1082
ERYTHRITOL (CAS# 149-32-6); (M+NA)+
Erythritol
ME205299
222285
-
0.615
122.0576
L-ARGININE (CAS# 74-79-3); (M+NA)+
Arginine
ME205354
6322
-
0.615
174.1105
L-HISTIDINE (CAS# 71-00-1); (M+NA)+
Histidine
ME205358
6274
-
0.62
155.0703
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+
DL-O-Phosphoserine
ME205431
106
-
0.623
185.0106
TAURINE (CAS# 107-35-7); (M+K)+
Taurine
ME205501
1123
-
0.623
125.0156
ASPARTATE (CAS# 56-84-8); (M+NA)+
Aspartic acid
ME205244
5960
-
0.629
133.0377
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+
Choline phosphate
ME205263
1014
-
0.631
183.0661
GLUTAMINE (CAS# 56-85-9); (M+NA)+
Glutamine
ME205321
5961
-
0.631
146.0685
TAURINE (CAS# 107-35-7); (M+NA)+
Taurine
ME205502
1123
-
0.637
125.0147
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...
-
ME205355
16217579
-
0.645
176.1063
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+
cis-4-Hydroxyproline
ME205208
440015
-
0.647
131.0586
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+
5-Amino-levulinic acid
ME205213
137
-
0.647
131.0586
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+
trans-4-Hydroxyproline
ME205511
5810
-
0.647
131.0581
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+
Dehydroascorbic acid
ME205288
210328
-
0.649
174.0181
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...
Galactose 1-phosphate
ME205236
123912
-
0.651
260.0287
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+
Glucose 6-phosphate
ME205281
5958
-
0.651
260.0296
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+
Mannose 6-phosphate
ME205383
439198
-
0.651
260.0296
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+K)+
Glucose 6-phosphate
ME205280
5958
-
0.66
260.0298
1-METHYLNICOTINAMIDE (CAS# ); M+
1-Methyl nicotinamide
ME205171
457
-
0.665
137.0716
CHOLINE (CAS# 62-49-7); M+
Choline
ME205261
305
-
0.665
104.1074
L-CARNITINE (CAS# 541-15-1); (M+H)+
Carnitine
ME205356
10917
-
0.667
161.105
THIAMIN (CAS# 59-43-8); M+
Thiamine
ME205507
1130
-
0.667
265.1131
O-PHOSPHOSERINE (CAS# 407-41-0); (M+H)+
DL-O-Phosphoserine
ME205434
68841
-
0.668
185.0098
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+
S-Adenosylmethionine
ME205480
34755
-
0.668
398.1371
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]
Glutamic acid
ME205320
33032
-
0.67
147.0535
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+
3-Methylhistidine
ME205394
64969
-
0.67
169.0841
THIAMIN (CAS# 59-43-8); M+[-C6H9NOS]
Thiamine
ME205508
1130
-
0.671
265.1122
FRUCTOSE (CAS# 57-48-7); (M+NA)+
Fructose
ME205306
5984
-
0.672
180.0638
GLUCOSE (CAS# 50-99-7); (M+NA)+
Glucose
ME205318
5793
-
0.672
180.0638
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+
Myo-inositol
ME205393
892
-
0.672
180.0638
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+
N-Acetylserine
ME205401
65249
-
0.675
147.0525
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+
N-Methyl-D-aspartic acid
ME205413
4376
-
0.675
147.0525
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME205167
440473
-
0.675
198.0656
GLYCINE (CAS# 56-40-6); (M+H)+
Glycine
ME205326
750
-
0.676
75.0321
CITRATE (CAS# 77-92-9); (M+H)+[-H2O]
Citric acid
ME205266
311
-
0.679
192.0289
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+
-
ME205273
71309782
-
0.689
114.0616
ASPARTATE (CAS# 56-84-8); (M+H)+
Aspartic acid
ME205243
5960
-
0.69
133.0374
CREATININE (CAS# 60-27-5); (M+H)+
Creatinine
ME205272
588
-
0.69
113.0584
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]
Allothreonine
ME205353
99289
-
0.69
119.0586
BETAINE (CAS# 107-43-7); (M+NA)+
Betaine
ME205250
247
-
0.692
117.0787
CREATINE (CAS# 57-00-1); (M+H)+
Creatine
ME205271
586
-
0.692
131.0697
BETAINE (CAS# 107-43-7); (M+H)+
Betaine
ME205249
247
-
0.693
117.0792
GLUTAMATE (CAS# 56-86-0); (M+H)+
Glutamic acid
ME205319
33032
-
0.695
147.054
BETA-ALANINE (CAS# 107-95-9); (M+H)+
beta-Alanine
ME205247
239
-
0.696
89.0481
PHOSPHOCREATINE (CAS# 67-07-2); (M+H)+
Phosphocreatine
ME205452
9548602
-
0.696
211.0365
SARCOSINE (CAS# 107-97-1); (M+H)+
Sarcosine
ME205482
1088
-
0.696
89.0481
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+NA)+
DL-O-Phosphoserine
ME205432
106
-
0.697
185.0107
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+H)+
DL-O-Phosphoserine
ME205433
106
-
0.697
185.0098
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+
N-Acetylneuraminic acid
ME205408
439197
-
0.698
309.1062
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+
N-Methyl-D-aspartic acid
ME205412
4376
-
0.7
147.054
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+
Choline phosphate
ME205262
1014
-
0.702
183.0659
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+N...
CDP-choline
ME205276
13804
-
0.703
488.1078
HOMOSERINE (CAS# 672-15-1); (M+H)+
Homoserine
ME205338
12647
-
0.703
119.0587
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+
Allothreonine
ME205352
99289
-
0.703
119.0587
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+K...
CDP-choline
ME205275
13804
-
0.705
488.1059
L-HISTIDINE (CAS# 71-00-1); (M+H)+
Histidine
ME205357
6274
-
0.706
155.068
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M+H)...
Bis-gamma-glutamylcystine
ME205252
90657696
-
0.707
498.109
PROLINE (CAS# 147-85-3); (M+H)+
Proline
ME205463
145742
-
0.71
115.0635
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+
Glucosamine 6-phosphate
ME205316
439217
-
0.712
259.0471
RAFFINOSE (CAS# 512-69-6); (M+K)+
Raffinose
ME205475
439242
-
0.712
504.1689
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME205248
439186
-
0.714
342.1186
CELLOBIOSE (CAS# 528-50-7); (M+NA)+
Cellobiose
ME205259
294
-
0.714
342.1186
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]
Psicose
ME205285
90008
-
0.714
180.0645
LACTOSE (CAS# 63-42-3); (M+NA)+
Lactose
ME205363
440995
-
0.714
342.1186
MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME205382
439186
-
0.714
342.1186
MELIBIOSE (CAS# 585-99-9); (M+NA)+
Melibiose
ME205385
440658
-
0.714
342.1186
PALATINOSE (CAS# 343336-76-5); (M+NA)+
Palatinose
ME205443
439559
-
0.714
342.1186
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME205487
439285
-
0.714
257.1032
SUCROSE (CAS# 57-50-1); (M+NA)+
Sucrose
ME205498
5988
-
0.714
342.1186
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]
Glucose
ME205317
5793
-
0.715
180.0645
ADENINE (CAS# 73-24-5); (M+H)+
Adenine
ME205224
190
-
0.716
135.0545
LACTOSE (CAS# 63-42-3); (M+K)+
Lactose
ME205362
440995
-
0.716
342.1185
MELIBIOSE (CAS# 585-99-9); (M+K)+
Melibiose
ME205384
440658
-
0.716
342.1185
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+
N-Acetylneuraminic acid
ME205407
439197
-
0.716
309.1082
RAFFINOSE (CAS# 512-69-6); (M+NA)+
Raffinose
ME205476
439242
-
0.716
504.1714
STACHYOSE (CAS# 54261-98-2); (M+K)+
Stachyose
ME205495
439531
-
0.716
666.2213
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H...
CDP-choline
ME205274
13804
-
0.718
488.1078
MALEAMATE (CAS# 557-24-4); (M+H)+
Maleamate
ME205381
5280451
-
0.718
115.0263
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+
N-Acetylglucosamine
ME205395
446101
-
0.718
221.0918
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+H)+
N-Acetyl-mannosamine
ME205396
53477792
-
0.718
221.0918
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+
N-Acetylgalactosamine
ME205406
35717
-
0.718
221.0914
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+H...
Nicotinamide ribotide
ME205421
14180
-
0.718
334.0535
STACHYOSE (CAS# 54261-98-2); (M+NA)+
Stachyose
ME205496
439531
-
0.72
666.2228
CITRULLINE (CAS# 372-75-8); (M+NA)+
Citrulline
ME205268
9750
-
0.723
175.0963
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+
5-Aminopentanoic acid
ME205214
138
-
0.729
117.0792
CYTOSINE (CAS# 71-30-7); (M+NA)+
Cytosine
ME205278
597
-
0.73
111.0435
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+
o-Succinylhomoserine
ME205435
439406
-
0.746
219.0746
PIPECOLATE (CAS# 535-75-1); (M+NA)+
Pipecolic acid
ME205458
849
-
0.749
129.0777
CYTOSINE (CAS# 71-30-7); (M+H)+
Cytosine
ME205277
597
-
0.754
111.0434
NORADRENALINE (CAS# 51-41-2); (M+H)+
Xi-Norepinephrine
ME205424
951
-
0.754
169.0742
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+
UDP-N-acetylgalactosamine
ME205519
23724461
-
0.754
607.0815
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]
N-Acetylserine
ME205400
65249
-
0.758
147.0535
3'-CMP (CAS# 63-37-6); (M+H)+
3'-CMP
ME205194
66535
-
0.767
323.0523
CMP (CAS# 63-37-6); (M+H)+
CMP
ME205269
6131
-
0.767
323.0523
QUINATE (CAS# 77-95-2); (M+NA)+
Quinic acid
ME205472
6508
-
0.779
192.0641
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]
Xi-Norepinephrine
ME205425
951
-
0.789
169.0723
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...
2-Methylpropanal oxime
ME205188
9023
-
0.793
87.069
TAURINE (CAS# 107-35-7); (M+H)+
Taurine
ME205500
1123
-
0.809
125.0155
GDPMANNOSE (CAS# ); (M+NA)+
GDP-mannose
ME205312
18396
-
0.814
605.0761
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O]
Dehydroascorbic acid
ME205289
210328
-
0.827
174.015
GDPMANNOSE (CAS# ); (M+H)+
GDP-mannose
ME205311
18396
-
0.827
605.0731
MALATE (CAS# 636-61-3); (M+NA)+
Malic acid
ME205380
222656
-
0.83
134.0214
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]
Threonine
ME205509
6288
-
0.831
119.0586
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...
1-Aminocyclopropanecarboxylic acid
ME205169
5460234
-
0.846
101.0481
BIURET (CAS# 108-19-0); (M+NA)+
Biuret
ME205253
7913
-
0.847
103.0374
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+
N-Acetylserine
ME205399
65249
-
0.86
147.0543
PROLINE (CAS# 147-85-3); (M+NA)+
Proline
ME205464
145742
-
0.866
115.0644
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+
N(2)-Acetyllysine
ME205409
92907
-
0.87
188.1147
DUMP (CAS# 964-26-1); (2M+NA)+
dUMP
ME205295
65063
-
0.879
308.0397
GLUCOSAMINATE (CAS# 3646-68-2); (M+H)+
Glucosaminic acid
ME205315
73563
-
0.879
195.0737
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O]
Galactosamine
ME205279
3034366
-
0.885
179.0781
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O]
2-Amino-2-deoxy-D-mannose
ME205282
3034366
-
0.885
179.0781
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...
Methyl beta-D-galactoside
ME205388
94214
-
0.888
194.0793
PINITOL (CAS# 10284-63-6); (M+NA)+
Pinitol
ME205456
164619
-
0.888
194.0793
VALINE (CAS# 72-18-4); (M+NA)+
Valine
ME205528
6287
-
0.894
117.0784
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+H)+
UMP
ME205524
6030
-
0.906
324.0381
NORVALINE (CAS# 6600-40-4); M+[-CO2H]
Norvaline
ME205429
65098
-
0.909
117.0798
NORVALINE (CAS# 6600-40-4); (M+H)+
Norvaline
ME205428
65098
-
0.909
117.0794
VALINE (CAS# 72-18-4); (M+H)+
Valine
ME205527
6287
-
0.909
117.0794
ADP-RIBOSE (CAS# ); (M+H)+
ADP-ribose
ME205229
33576
-
0.935
559.0714
XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (2M+H)+
XMP
ME205531
73323
-
0.96
364.0387
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M+H)+[-H2O]
2-Oxoglutaric acid
ME205237
51
-
0.967
146.0206
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+
CAR 2:0
ME205430
18230
-
0.967
203.1162
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M+H)+
GMP
ME205337
6804
-
0.987
363.0598
ADPGLUCOSE (CAS# ); (M+H)+
ADP-glucose
ME205231
16500
-
0.99
589.0836
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+...
-
ME205335
451
-
0.99
589.0836
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME205309
123938
-
0.996
250.0625
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+H)+[-H2O]
UDP-N-acetylgalactosamine
ME205518
23724461
-
0.999
607.084
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME205308
123938
-
1.004
250.061
ADP-RIBOSE (CAS# ); (M+H)+[-H2O]
ADP-ribose
ME205230
33576
-
1.01
559.0727
GUANINE (CAS# 73-40-5); (M+H)+
Guanine
ME205332
764
-
1.015
151.0498
METHIONINE (CAS# 63-68-3); (M+H)+
Methionine
ME205387
6137
-
1.015
149.0514
SERINE (CAS# 56-45-1); (M+H)+
Serine
ME205485
617
-
1.019
105.042
NAD (CAS# 53-84-9); (M+NA)+
NAD
ME205419
5893
-
1.022
663.1081
ADENOSINE 5'-DIPHOSPHATE (CAS# 58-64-0); (M+H)+
ADP
ME205225
6022
-
1.036
427.0301
NAD (CAS# 53-84-9); (M+H)+
NAD
ME205418
5893
-
1.037
663.1093
PICOLINIC ACID (CAS# 98-98-6); (M+H)+
Picolinic acid
ME205455
1018
-
1.038
123.0332
URATE (CAS# 69-93-2); (M+H)+
Uric acid
ME205521
1175
-
1.038
168.0287
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M+NA)+[-H...
GMP
ME205336
6804
-
1.051
363.055
NAD (CAS# 53-84-9); (M+2H)+2
NAD
ME205417
5893
-
1.052
663.111
CITRATE (CAS# 77-92-9); (M+NA)+
Citric acid
ME205267
311
-
1.056
192.0275
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+H)+
Ciliatine
ME205166
339
-
1.06
125.025
NICOTINATE (CAS# 59-67-6); (M+H)+
Nicotinic acid
ME205422
938
-
1.068
123.0329
AZELAIC ACID (CAS# 123-99-9); (M+NA)+
Azelaic acid
ME205245
2266
-
10.821
188.106
2-(DIPHENYLMETHOXY)-N-METHYLETHYLAMINE (CAS# 17471...
-
ME205185
40791
-
10.841
241.1464
PYRIDOXAL (CAS# 66-72-8); (M+H)+
Pyridoxal
ME205468
1050
-
1.09
167.0588
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+
AMP
ME205226
6083
-
1.095
347.0646
LUMICHROME (CAS# 1086-80-2); (M+H)+
Lumichrome
ME205375
5326566
-
11.006
242.0827
LUMICHROME (CAS# 1086-80-2); (M+NA)+
Lumichrome
ME205376
5326566
-
11.016
242.0814
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M+H)+
Phosphoethanolamine
ME205301
1015
-
1.105
141.0183
ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M+NA...
Adenosine phosphosulfate
ME205227
10238
-
1.107
427.0235
NICOTINAMIDE (CAS# 98-92-0); (M+H)+
Niacinamide
ME205420
936
-
1.107
122.0481
OMEPRAZOLE (CAS# 73590-58-6); (M+H)+
Omeprazole
ME205439
4594
-
11.147
345.1164
UROCANATE (CAS# 104-98-3); (M+H)+
Urocanic acid
ME205525
736715
-
1.119
138.0425
PURINE (CAS# 120-73-0); (M+H)+
Purine
ME205467
1044
-
1.122
120.0425
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+
Hypoxanthine
ME205341
790
-
1.139
136.0378
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]
Vitamin C
ME205242
54670067
-
1.145
176.0309
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O]
1,2,3-Propanetricarboxylic acid
ME205512
14925
-
1.145
176.0309
PYRIDOXINE (CAS# 65-23-6); (M+H)+
Pyridoxine
ME205471
1054
-
1.168
169.0741
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+
Pyroglutamic acid
ME205218
7405
-
1.184
129.0429
5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+
Pyroglutamic acid
ME205219
7405
-
1.204
129.0434
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...
3-Amino-4-hydroxybenzoic acid
ME205196
65083
-
1.222
153.0419
AHBA (CAS# 76045-71-1); (M+H)+
3-Amino-5-hydroxybenzoic acid
ME205232
127115
-
1.222
153.0419
XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M+H)+
XMP
ME205532
73323
-
1.222
364.0388
XANTHINE (CAS# 69-89-6); (M+H)+
Xanthine
ME205529
1188
-
1.234
152.0339
ALANINE (CAS# 56-41-7); (2M+H)+[-H2O]
Alanine
ME205233
5950
-
1.238
89.048
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+
Ophthalmic acid
ME205440
7018721
-
1.238
289.1279
DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+
Deoxycytidine
ME205292
13711
-
1.241
227.0927
SEBACIC ACID (CAS# 111-20-6); (M+NA)+
Sebacic acid
ME205483
5192
-
13.032
202.1224
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+
Uracil-5-carboxylic acid
ME205520
6971263
-
1.305
156.0157
BENZOIN (CAS# 119-53-9); (M+NA)+
Benzoin
ME205246
667422
-
13.183
212.0854
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+
Jasmonic acid
ME205348
5281166
-
13.238
210.1253
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+
Jasmonic acid
ME205349
5281166
-
13.238
210.1261
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M+H)+
Pyridoxal 5'-phosphate
ME205470
1051
-
1.333
247.0264
NONANOATE (CAS# 112-05-0); (M+NA)+
Pelargonic acid
ME205423
8158
-
13.385
158.1296
CORTISONE (CAS# 53-06-5); (M+NA)+
Cortisone
ME205270
222786
-
13.478
360.1952
TYROSINE (CAS# 60-18-4); (M+H)+
Tyrosine
ME205517
6057
-
1.35
181.0738
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+[-H2O]
Mevalonic acid
ME205391
439230
-
1.365
148.0733
URIDINE (CAS# 58-96-8); (M+H)+
Uridine
ME205522
6029
-
1.369
244.0689
GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Glutathione
ME205323
124886
-
1.374
612.1526
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Oxidized glutathione
ME205442
65359
-
1.374
612.1526
URIDINE (CAS# 58-96-8); (M+NA)+
Uridine
ME205523
6029
-
1.377
244.0699
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2
Glutathione
ME205324
124886
-
1.378
612.1549
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2
Oxidized glutathione
ME205441
65359
-
1.378
612.1549
DGMP (CAS# 902-04-5); (M+H)+
dGMP
ME205294
6994968
-
1.411
347.0646
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+
N-Acetylalanine
ME205402
88064
-
1.448
131.0581
ALANINE (CAS# 56-41-7); (M+H)+
Alanine
ME205234
5950
-
1.454
89.0472
LOPERAMIDE (CAS# 34552-83-5); (M+H)+
Loperamide
ME205374
3955
-
15.295
476.2257
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+
S-Adenosylhomocysteine
ME205479
439155
-
1.552
384.1241
ISOLEUCINE (CAS# 73-32-5); (M+NA)+
Isoleucine
ME205347
6306
-
1.598
131.0937
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+
Methyl jasmonate
ME205389
5281929
-
16.054
224.1408
ISOLEUCINE (CAS# 73-32-5); (M+H)+
Isoleucine
ME205346
6306
-
1.611
131.095
LEUCINE (CAS# 328-39-2); (M+H)+
Leucine
ME205367
6106
-
1.629
131.095
LEUCINE (CAS# 328-39-2); (M+NA)+
Leucine
ME205368
6106
-
1.63
131.0947
NORLEUCINE (CAS# 327-57-1); (M+H)+
Norleucine
ME205426
21236
-
1.632
131.0949
ESTRONE (CAS# 53-16-7); (M+H)+
Estrone
ME205300
5870
-
16.439
270.1596
GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O]
Glyceraldehyde
ME205325
79014
-
1.677
90.0325
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+
PGE2
ME205465
5280360
-
16.808
352.2244
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]
Allose
ME205235
439507
-
1.691
180.0647
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...
3-Hydroxymethylglutaric acid
ME205198
1662
-
1.692
162.0542
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+
Mevalonic acid
ME205390
439230
-
1.708
148.0744
PTERIN (CAS# 2236-60-4); (M+H)+
Pterin
ME205466
73000
-
1.726
163.0503
2-HYDROXYPYRIDINE (CAS# 142-08-5); (M+H)+
2-Hydroxypyridine
ME205186
8871
-
1.728
95.0373
LAUROYLCARNITINE (CAS# 25518-54-1); (M+NA)+
CAR 12:0
ME205366
168381
-
17.961
343.2691
INOSINE (CAS# 58-63-9); (M+NA)+
Inosine
ME205345
6021
-
1.798
268.0819
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+
CAR 12:0
ME205365
168381
-
18.018
343.2712
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+
5-Hydroxy-tryptophan
ME205216
439280
-
1.819
220.0864
GUANOSINE (CAS# 118-00-3); (M+NA)+
Guanosine
ME205334
6802
-
1.82
283.0925
INOSINE (CAS# 58-63-9); (M+H)+
Inosine
ME205344
6021
-
1.833
268.0827
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...
Thyrotropin releasing hormone
ME205510
638678
-
1.837
362.1672
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME205197
64956
-
1.839
103.0635
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+
4-Acetamidobutanoic acid
ME205204
18189
-
1.845
145.0739
GUANOSINE (CAS# 118-00-3); (M+H)+
Guanosine
ME205333
6802
-
1.851
283.0924
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+
Indoleacetaldehyde
ME205343
800
-
1.854
159.0684
LINOLEATE (CAS# 60-33-3); (M+NA)+
Linoleic acid
ME205372
5280450
-
18.63
280.2398
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+
Glycocholic acid
ME205329
10140
-
18.643
465.3114
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+[...
3-Hydroxymandelic acid
ME205379
86957
-
1.901
168.0427
ANDROSTERONE (CAS# 53-41-8); (M+NA)+
Androsterone
ME205239
5879
-
19.853
290.2245
PROGESTERONE (CAS# 57-83-0); (M+H)+
Progesterone
ME205462
5994
-
19.896
314.2275
XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O]
Xylose
ME205534
135191
-
2.004
150.0526
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O...
N-Methyl-glutamic acid
ME205414
439377
-
2.025
161.069
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+
Glycochenodeoxycholic acid
ME205328
9548796
-
20.35
449.3145
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2...
Glycochenodeoxycholic acid
ME205327
9548796
-
20.351
449.311
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+
3-Methoxytyrosine
ME205200
9307
-
2.037
211.0835
SPHINGOSINE (CAS# 123-78-4); (M+H)+[-H2O]
Sphingosine
ME205492
5280335
-
20.485
299.2809
SPHINGOSINE (CAS# 123-78-4); (M+NA)+
Sphingosine
ME205493
5280335
-
20.485
299.2814
SPHINGOSINE (CAS# 123-78-4); (M+H)+
Sphingosine
ME205491
5280335
-
20.486
299.2826
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+
LTB4
ME205371
5280492
-
20.535
336.2292
SPHINGANINE (CAS# 764-22-7); (M+H)+
Sphinganine
ME205490
644260
-
20.58
301.2959
PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O]
Pyridoxal
ME205469
1050
-
2.059
167.0598
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+
LTB4
ME205369
5280492
-
20.73
336.2275
GLUTARATE (CAS# 110-94-1); (M+NA)+
Glutaric acid
ME205322
743
-
2.074
132.0416
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]
LTB4
ME205370
5280492
-
20.773
336.2297
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...
3beta-Hydroxy-5alpha-pregnan-20-one
ME205203
92787
-
20.803
318.2556
PORPHOBILINOGEN (CAS# 487-90-1); (M+NA)+
Porphobilinogen
ME205459
1021
-
2.084
226.0972
2'-DEOXYINOSINE (CAS# 890-38-0); (2M+H)+
Deoxyinosine
ME205182
65058
-
2.096
252.0875
2'-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+
Deoxyinosine
ME205184
65058
-
2.101
252.0869
2'-DEOXYINOSINE (CAS# 890-38-0); (M+H)+
Deoxyinosine
ME205183
65058
-
2.108
252.088
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+
CAR 16:0
ME205444
11953816
-
21.401
399.3356
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+
CAR 16:0
ME205445
11953816
-
21.403
399.3346
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O]
Glycolithocholic acid
ME205331
115245
-
21.508
433.3171
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+
Glycolithocholic acid
ME205330
115245
-
21.644
433.3181
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+
Deoxycholic acid
ME205291
222528
-
21.718
392.2939
URSODIOL (CAS# 128-13-2); (M+NA)+
Ursodeoxycholic acid
ME205526
31401
-
21.718
392.2939
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4);...
Vanylglycol
ME205207
688030
-
2.189
184.0735
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+
Deoxycholic acid
ME205290
222528
-
21.937
392.2896
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+
Taurolithocholic acid
ME205503
439763
-
21.948
483.3065
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O]
Taurolithocholic acid
ME205504
439763
-
22.02
483.3017
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...
MG 14:0
ME205474
79050
-
22.183
302.246
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+
LPC 16:0
ME205176
460602
-
22.255
495.3335
KYNURENINE (CAS# 343-65-7); (M+NA)+
Kynurenine
ME205351
161166
-
2.227
208.0858
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+
LPC 16:0
ME205175
460602
-
22.317
495.3307
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+
Lithocholic acid
ME205373
9903
-
22.337
376.2982
KYNURENINE (CAS# 343-65-7); (M+H)+
Kynurenine
ME205350
161166
-
2.237
208.0851
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+
LPE 18:0
ME205181
9547068
-
22.442
481.3201
OLEIC ACID (CAS# 112-80-1); (M+NA)+
Oleic acid
ME205438
445639
-
22.513
282.2558
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+NA)+
25-Hydroxycholesterol
ME205193
65094
-
22.658
402.3507
OLEIC ACID (CAS# 112-80-1); (M+H)+
Oleic acid
ME205437
445639
-
22.664
282.2544
OLEAMIDE (CAS# 301-02-0); (M+H)+
Oleamide
ME205436
5283387
-
22.679
281.2691
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+
LPE 18:0
ME205180
9547068
-
22.715
481.3197
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+
MG 18:1
ME205173
5283468
-
22.738
356.2942
CALCIDIOL (CAS# 19356-17-3); (M+NA)+
25-Hydroxyvitamin D3
ME205257
5283731
-
22.742
400.3326
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+
cis-Vaccenic acid
ME205264
5282761
-
22.775
282.2544
ELAIDIC ACID (CAS# 112-79-8); (M+H)+
Elaidic acid
ME205296
637517
-
22.775
282.2544
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+
alpha-Linolenic acid
ME205238
5280934
-
22.805
278.2242
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+
gamma-Linolenic acid
ME205310
5280933
-
22.805
278.2242
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+H)+
N-Oleoyl glycine
ME205416
6436908
-
22.834
339.2744
DECANOATE (CAS# 334-48-5); (2M+NA)+
Capric acid
ME205287
2969
-
22.866
172.1464
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+
Elaidic acid
ME205297
637517
-
22.867
282.2583
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+H)+[-H2...
25-Hydroxycholesterol
ME205192
65094
-
22.913
402.3476
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O...
MG 18:1
ME205172
5283468
-
22.92
356.2895
18:0 LYSO-PE (CAS# 69747-55-3); (2M+H)+
LPE 18:0
ME205179
9547068
-
22.966
481.317
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+
LPC 20:0
ME205189
24779473
-
23.085
551.3984
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...
Bis(2-ethylhexyl)phthalate
ME205251
8343
-
23.134
390.2784
ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+
Arachidic acid
ME205241
10467
-
23.225
312.3023
XANTHOSINE (CAS# 146-80-5); (M+H)+
Xanthosine
ME205530
64959
-
2.323
284.0772
ERUCIC ACID (CAS# 112-86-7); (M+NA)+
cis-Erucic acid
ME205298
5281116
-
23.523
338.3215
LANOSTEROL (CAS# 79-63-0); (M+NA)+
Lanosterol
ME205364
246983
-
23.55
426.3886
SQUALENE (CAS# 111-02-4); (M+K)+
Squalene
ME205494
5280370
-
24.373
410.3936
MENAQUINONE (CAS# 11032-49-8); (M+H)+
-
ME205386
5280374
-
24.403
444.3018
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...
Lathosterol
ME205220
65728
-
24.648
386.3555
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]
Cholesterol
ME205260
5997
-
24.648
386.3555
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+
PC 16:0_18:0
ME205177
18631368
-
25.316
761.5873
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]
Normetanephrine
ME205427
688100
-
2.549
183.0897
PHENYLALANINE (CAS# 63-91-2); (M+H)+
Phenylalanine
ME205450
6140
-
2.549
165.0791
PHENYLALANINE (CAS# 63-91-2); (M+NA)+
Phenylalanine
ME205451
6140
-
2.551
165.0792
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+
PC 16:0_18:0
ME205178
18631368
-
25.533
761.5873
PHYLLOQUINONE (CAS# 84-80-0); (M+H)+
Phylloquinone
ME205454
4812
-
26.311
450.3495
TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+H)+
Tryptophanamide
ME205516
439356
-
2.715
203.1071
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+
SM 18:1;O2/24:0
ME205191
44260127
-
28.028
814.6904
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+H)+
SM 18:1;O2/24:0
ME205190
44260127
-
28.141
814.6915
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+
p-Aminobenzoic acid
ME205205
978
-
2.864
137.0474
1-PHENYLETHANOL (CAS# 1445-91-6); (M+H)+[-H2O]
1-Phenylethanol
ME205174
7409
-
2.923
122.0732
PHENETHYLAMINE (CAS# 64-04-0); (M+H)+
Phenylethylamine
ME205449
1001
-
2.947
121.088
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+
1-Methyladenosine
ME205170
27476
-
3.059
281.1127
PANTOTHENATE (CAS# 79-83-4); (M+H)+
Pantothenic acid
ME205446
6613
-
3.3
219.1111
PANTOTHENATE (CAS# 79-83-4); (M+NA)+
Pantothenic acid
ME205447
6613
-
3.302
219.1113
THEOBROMINE (CAS# 83-67-0); (M+NA)+
Theobromine
ME205505
5429
-
3.513
180.0643
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+
Methylglutaric acid
ME205201
12284
-
3.583
146.0588
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+
Adipic acid
ME205228
196
-
3.583
146.0588
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+
Monomethyl glutaric acid
ME205392
73917
-
3.583
146.0588
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+
2-Methylglutaric acid
ME205187
12046
-
3.584
146.0588
ABRINE (CAS# 526-31-8); (M+H)+
N(alpha)-Methyl-tryptophan
ME205222
160511
-
3.595
218.1071
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+
Tryptophan
ME205515
6305
-
3.674
204.0893
TRYPTOPHAN (CAS# 73-22-3); (M+H)+
Tryptophan
ME205514
6305
-
3.675
204.088
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+
Tryptophan
ME205360
16217285
-
3.676
206.0849
DEPHOSPHO-COA (CAS# 3633-59-8); (M+NA)+
3'-Dephospho-CoA
ME205293
444485
-
3.677
687.1455
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+
5-Methyl-THF
ME205217
9825434
-
3.702
459.1866
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA...
Hydroxyphenyllactic acid
ME205195
9378
-
3.857
182.0566
TRYPTAMINE (CAS# 61-54-1); (M+H)+
Tryptamine
ME205513
1150
-
3.879
160.0992
ACETYLCHOLINE (CAS# 51-84-3); M+
Acetylcholine
ME205223
187
-
3.923
146.1168
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+
cis-Zeatin
ME205265
688597
-
3.96
219.1124
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+
trans-Zeatin
ME205535
449093
-
3.96
219.1123
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+
5-Hydroxyindoleacetic acid
ME205215
1826
-
4.107
191.06
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+
N-Acetylmethionine
ME205398
448580
-
4.11
191.062
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+
N-Acetylmethionine
ME205397
448580
-
4.111
191.0601
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+
Theophylline
ME205506
2153
-
4.325
180.0647
PARAXANTHINE (CAS# 611-59-6); (M+NA)+
Paraxanthine
ME205448
4687
-
4.37
180.0647
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+
5'-Methylthioadenosine
ME205211
439176
-
4.56
297.0902
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+
5'-Methylthioadenosine
ME205212
439176
-
4.563
297.09
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+
4-Hydroxyphenyl acetate
ME205209
127
-
4.668
152.0461
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)...
Ketoleucine
ME205210
70
-
4.682
130.0639
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+
Xanthurenic acid
ME205533
5699
-
4.682
205.0377
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O...
3-Hydroxybenzaldehyde
ME205199
101
-
4.857
122.037
PHTHALATE (CAS# 88-99-3); (M+NA)+
Phthalic acid
ME205453
1017
-
4.863
166.0272
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME205206
3845
-
4.96
189.0428
ANTHRANILATE (CAS# 118-92-3); (M+H)+
2-Aminobenzoic acid
ME205240
227
-
4.998
137.0473
SALICYLAMIDE (CAS# 65-45-2); (M+H)+
Salicylamide
ME205481
5147
-
5.173
137.0481
DEBRISOQUIN (CAS# 581-88-4); (M+H)+
Debrisoquine
ME205286
2966
-
5.197
175.1109
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+
2-Aminobenzoic acid
ME205361
227
-
5.427
138.046
HOMOVANILLATE (CAS# 306-08-1); (M+H)+
Homovanillic acid
ME205340
1738
-
5.758
182.0581
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+
3-Methyladipic acid
ME205202
12292
-
5.76
160.0747
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+
Pimelic acid
ME205221
385
-
5.766
160.0747
CAFFEINE (CAS# 58-08-2); (M+NA)+
Caffeine
ME205256
2519
-
5.776
194.0807
FOLIC ACID (CAS# 59-30-3); (M+NA)+
Folic acid
ME205305
6037
-
5.949
441.1418
FOLIC ACID (CAS# 59-30-3); (M+H)+
Folic acid
ME205304
6037
-
5.951
441.1404
CAFFEINE (CAS# 58-08-2); (M+H)+
Caffeine
ME205255
2519
-
5.977
194.0809
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+NA...
FAD
ME205303
643975
-
6.287
785.156
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)...
FAD
ME205302
643975
-
6.293
785.1562
INDOLE (CAS# 120-72-9); (2M+NA)+
Indole
ME205342
798
-
6.551
117.0584
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+
N-Acetylleucine
ME205403
75619
-
7.154
173.1068
RIBOFLAVIN (CAS# 83-88-5); (M+H)+
Riboflavin
ME205477
493570
-
7.689
376.139
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+
Riboflavin
ME205478
493570
-
7.689
376.14
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+
2-Hydroxyquinoline
ME205473
6038
-
7.76
145.0539
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+
N-Acetylphenylalanine
ME205405
74839
-
7.785
207.0904
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+
N-Acetylphenylalanine
ME205404
74839
-
7.812
207.088
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+
N-Cyclohexylformamide
ME205411
13017
-
8
127.0988
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+
N-Cyclohexylformamide
ME205410
13017
-
8.007
127.0991
SUBERIC ACID (CAS# 505-48-6); (M+NA)+
Suberic acid
ME205497
10457
-
8.329
174.0909
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M+NA)+
Gibberellin A3
ME205313
6466
-
8.576
346.1389
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+
Gibberellin A3
ME205314
6466
-
8.58
346.1424
SULFADIMETHOXINE (CAS# 122-11-2); (M+NA)+
Sulfadimethoxine
ME205499
5323
-
9.444
310.076
BOC-ALA-OH (CAS# 15761-38-3); (M+NA)+
-
ME205254
85082
-
9.518
189.1007
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