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Return to study ST002513 main page
Analysis: HILIC POSITIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
(2/3)-amino(iso)butyric acid
-
ME606068
-
-
-
104.07064
Choline
Choline
ME606157
-
-
-
104.10686
Serine
Serine
ME606270
-
-
-
106.0498
Cytosine
Cytosine
ME606165
-
-
-
112.05044
Histamine
Histamine
ME606190
-
-
-
112.08691
Uracil
Uracil
ME606283
-
-
-
113.03446
Creatinine
Creatinine
ME606160
-
-
-
114.06605
Proline
Proline
ME606257
-
-
-
116.07052
Guanidoacetic acid
Guanidoacetic acid
ME606182
-
-
-
118.06104
Betaine
Betaine
ME606152
-
-
-
118.08592
Valine
Valine
ME606287
-
-
-
118.08612
N,N-Diethyl-2-aminoethanol
-
ME606211
-
-
-
118.12246
Threonine
Threonine
ME606278
-
-
-
120.06536
Betaine aldehyde cation
Betaine
ME606153
-
-
-
120.10168
Niacinamide
Niacinamide
ME606239
-
-
-
123.055
Nicotinic acid
Nicotinic acid
ME606242
-
-
-
124.03902
Taurine
Taurine
ME606273
-
-
-
126.02178
5-Methylcytosine
5-Methylcytosine
ME606132
-
-
-
126.06593
1-Methylhistamine
1-Methylhistamine
ME606090
-
-
-
126.10233
Imidazoleacetic acid
Imidazoleacetic acid
ME606125
-
-
-
127.04993
Thymine
Thymine
ME606279
-
-
-
127.05001
Pipecolic acid
Pipecolic acid
ME606255
-
-
-
130.08583
N-Methyl-proline
N-Methyl-proline
ME606225
-
-
-
130.08606
cis-4-Hydroxyproline
cis-4-Hydroxyproline
ME606127
-
-
-
132.06543
Creatine
Creatine
ME606159
-
-
-
132.07631
N-Methyl-valine
N-Methyl-valine
ME606226
-
-
-
132.10153
Isoleucine
Isoleucine
ME606197
-
-
-
132.10162
Ureidopropionic acid
Ureidopropionic acid
ME606121
-
-
-
133.06046
Asparagine
Asparagine
ME606150
-
-
-
133.0686
Ornithine
Ornithine
ME606246
-
-
-
133.09683
Thiazolidine-4-carboxylic acid
-
ME606276
-
-
-
134.02666
Aspartic acid
Aspartic acid
ME606151
-
-
-
134.04456
5-Hydroxyindole
5-Hydroxyindole
ME606131
-
-
-
134.05971
Hypoxanthine
Hypoxanthine
ME606193
-
-
-
137.04536
1-Methyl nicotinamide
1-Methyl nicotinamide
ME606091
-
-
-
137.07071
P-Aminobenzoic acid
p-Aminobenzoic acid
ME606122
-
-
-
138.05463
Nicotinamide N-oxide
Nicotinamide N-oxide
ME606240
-
-
-
139.04979
Urocanic acid
Urocanic acid
ME606286
-
-
-
139.04982
Ectoine
Ectoine
ME606294
-
-
-
143.08118
4-Hydroxyquinoline
4-Hydroxyquinoline
ME606124
-
-
-
146.05956
1H-Indole-3-carboxaldehyde
1H-Indole-3-carboxaldehyde
ME606195
-
-
-
146.05977
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME606123
-
-
-
146.09203
Acetylcholine
Acetylcholine
ME606140
-
-
-
146.11708
N-Methylisoleucine
N-Methylisoleucine
ME606223
-
-
-
146.1171
3-Dehydroxycarnitine
3-Dehydroxycarnitine
ME606169
-
-
-
146.1172
Leucine, methyl ester
-
ME606201
-
-
-
146.1172
Spermidine
Spermidine
ME606271
-
-
-
146.16481
Glutamine
Glutamine
ME606179
-
-
-
147.07593
Lysine
Lysine
ME606203
-
-
-
147.1123
Glutamic acid
Glutamic acid
ME606178
-
-
-
148.05998
Methionine
Methionine
ME606208
-
-
-
150.05798
Triethanolamine
Triethanolamine
ME606111
-
-
-
150.11208
Guanine
Guanine
ME606184
-
-
-
152.05655
Xanthine
Xanthine
ME606288
-
-
-
153.04047
N-Acetylglutamine
N-Acetylglutamine
ME606231
-
-
-
154.09697
Histidine
Histidine
ME606191
-
-
-
156.07637
3-Methylcrotonylglycine
3-Methylcrotonylglycine
ME606118
-
-
-
158.08107
2-Methylquinolin-8-ol
-
ME606115
-
-
-
160.07516
Methacholine
Methacholine
ME606207
-
-
-
160.1326
2-Aminocaprylic acid
2-Aminocaprylic acid
ME606113
-
-
-
160.13268
N(6)-Methyllysine
N(6)-Methyllysine
ME606224
-
-
-
161.12808
N(6)-Methyllysine1
N(6)-Methyllysine
ME606238
-
-
-
161.1281
Aminoadipic acid
Aminoadipic acid
ME606137
-
-
-
162.07574
Carnitine
Carnitine
ME606155
-
-
-
162.11186
delta(5)-Hydroxylysine
-
ME606293
-
-
-
163.10757
Methionine sulfoxide
Methionine sulfoxide
ME606209
-
-
-
166.05283
Phenylalanine
Phenylalanine
ME606253
-
-
-
166.08575
Normetanephrine
Normetanephrine
ME606170
-
-
-
166.08586
Pyridoxamine
Pyridoxamine
ME606261
-
-
-
169.09613
3-Methylhistidine
3-Methylhistidine
ME606120
-
-
-
170.09201
N-Methylhistidine
N-Methylhistidine
ME606222
-
-
-
170.09207
Pro-Gly
Pro-Gly
ME606256
-
-
-
173.09169
Hexanoylglycine
Hexanoylglycine
ME606189
-
-
-
174.11208
N-Acetyl-leucine (double check)
-
ME606216
-
-
-
174.11221
N5-(1-Iminoethyl)-ornithine
-
ME606232
-
-
-
174.12332
1H-Indole-3-acetamide
1H-Indole-3-acetamide
ME606194
-
-
-
175.08614
Gly-Val
Gly-Val
ME606181
-
-
-
175.10718
N-Acetylornithine
N-Acetylornithine
ME606229
-
-
-
175.10727
Arginine
Arginine
ME606145
-
-
-
175.1183
N(6),N(6)-Dimethyl-lysine
N(6),N(6)-Dimethyl-lysine
ME606233
-
-
-
175.14359
Guanidinosuccinic acid
Guanidinosuccinic acid
ME606183
-
-
-
176.06619
Citrulline
Citrulline
ME606158
-
-
-
176.10234
Serotonin
Serotonin
ME606266
-
-
-
177.10173
2-Amino-2-deoxy-D-mannose
2-Amino-2-deoxy-D-mannose
ME606205
-
-
-
180.08624
L-Metanephrine
L-Metanephrine
ME606206
-
-
-
180.10147
Tyrosine
Tyrosine
ME606281
-
-
-
182.08081
4-Pyridoxic acid
4-Pyridoxic acid
ME606126
-
-
-
184.05952
Choline phosphate
Choline phosphate
ME606254
-
-
-
184.07291
N6-(1-Iminoethyl)-lysine
-
ME606234
-
-
-
188.13889
N8-Acetylspermidine
N8-Acetylspermidine
ME606235
-
-
-
188.17531
N6-Acetyllysine
N6-Acetyllysine
ME606230
-
-
-
189.12277
N(2)-Acetyllysine
N(2)-Acetyllysine
ME606236
-
-
-
189.12294
Arginine, methyl ester
-
ME606146
-
-
-
189.13425
Homoarginine
Homoarginine
ME606192
-
-
-
189.13457
N-6-Trimethyllysine
N-6-Trimethyllysine
ME606237
-
-
-
189.15921
Kynurenic acid
Kynurenic acid
ME606199
-
-
-
190.04932
Homocitrulline
Homocitrulline
ME606297
-
-
-
190.11824
N-Acetylmethionine
N-Acetylmethionine
ME606218
-
-
-
192.06818
alpha-Ionone
alpha-Ionone
ME606292
-
-
-
193.15817
Phenylacetylglycine
Phenylacetylglycine
ME606252
-
-
-
194.08052
N-Acetylhistidine
N-Acetylhistidine
ME606217
-
-
-
198.08684
Cysteine-S-sulfate
Cysteine-S-sulfate
ME606265
-
-
-
201.98338
Dimethylarginine
Dimethylarginine
ME606212
-
-
-
203.14966
CAR 2:0
CAR 2:0
ME606139
-
-
-
204.12238
Tryptophan
Tryptophan
ME606280
-
-
-
205.09659
Xanthurenic acid
Xanthurenic acid
ME606290
-
-
-
206.04439
N-Acetylphenylalanine
N-Acetylphenylalanine
ME606219
-
-
-
208.09607
Kynurenine
Kynurenine
ME606200
-
-
-
209.09122
Pelargonidin
Pelargonidin
ME606228
-
-
-
217.12939
CAR 3:0
CAR 3:0
ME606259
-
-
-
218.13783
N-Acetylserotonin
N-Acetylserotonin
ME606214
-
-
-
219.11217
Pantothenic acid
Pantothenic acid
ME606250
-
-
-
220.11731
Cystathionine
Cystathionine
ME606161
-
-
-
223.07437
Carnosine
Carnosine
ME606156
-
-
-
227.11345
Deoxycytidine
Deoxycytidine
ME606110
-
-
-
228.09743
Pro-hydroxyPro
Pro-hydroxyPro
ME606258
-
-
-
229.11775
Ergothioneine
Ergothioneine
ME606173
-
-
-
230.09517
CAR 4:0
CAR 4:0
ME606070
-
-
-
232.15338
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME606136
-
-
-
240.10715
Cystine
Cystine
ME606163
-
-
-
241.03058
Anserine
Anserine
ME606143
-
-
-
241.12898
Cytidine
Cytidine
ME606164
-
-
-
244.09198
Phencyclidine
Phencyclidine
ME606251
-
-
-
244.19009
Uridine
Uridine
ME606285
-
-
-
245.07776
CAR 4:0;3Me
CAR 4:0;3Me
ME606198
-
-
-
246.1693
N-Acetyl-tryptophan
N-Acetyl-tryptophan
ME606220
-
-
-
247.10704
CAR DC3:0
CAR DC3:0
ME606204
-
-
-
248.1124
CAR 4:0;3OH
CAR 4:0;3OH
ME606116
-
-
-
248.14865
Glu-Thr
Glu-Thr
ME606176
-
-
-
249.10757
Thr-Glu
Thr-Glu
ME606277
-
-
-
249.10779
Nicotinamide riboside
Nicotinamide riboside
ME606241
-
-
-
255.09703
3-Methylcytidine
3-Methylcytidine
ME606119
-
-
-
258.10837
5-Methylcytidine
5-Methylcytidine
ME606133
-
-
-
258.10892
sn-Glycero-3-phosphocholine
sn-Glycero-3-phosphocholine
ME606267
-
-
-
258.10913
Ribothymidine
Ribothymidine
ME606134
-
-
-
259.09216
CAR 6:0
CAR 6:0
ME606188
-
-
-
260.18494
Glucose 6-phosphate
Glucose 6-phosphate
ME606177
-
-
-
261.03659
alpha-Asp-Lys
-
ME606291
-
-
-
262.13925
CAR 4:0;OH,Me
CAR 4:0;OH,Me
ME606069
-
-
-
262.1647
Thiamine
Thiamine
ME606275
-
-
-
265.11136
Adenosine
Adenosine
ME606141
-
-
-
268.10345
Inosine
Inosine
ME606196
-
-
-
269.08759
N-Acetylcarnosine
N-Acetylcarnosine
ME606215
-
-
-
269.12534
Asp-His
Asp-His
ME606149
-
-
-
271.10309
H-gamma-glutamyl-glutamine
gamma-Glutamylglutamine
ME606186
-
-
-
276.11826
gamma-Glu-epsilon-Lys
-
ME606295
-
-
-
276.15472
N6-Methyladenosine
N6-Methyladenosine
ME606135
-
-
-
282.1189
1-Methyladenosine
1-Methyladenosine
ME606087
-
-
-
282.11902
Xanthosine
Xanthosine
ME606289
-
-
-
285.082
CAR 8:0
CAR 8:0
ME606244
-
-
-
288.21552
Ophthalmic acid
Ophthalmic acid
ME606243
-
-
-
290.13403
Asp-Arg
Asp-Arg
ME606148
-
-
-
290.14502
Argininosuccinic acid
Argininosuccinic acid
ME606147
-
-
-
291.12601
5'-Methylthioadenosine
5'-Methylthioadenosine
ME606128
-
-
-
298.09595
1-Methylguanosine
1-Methylguanosine
ME606089
-
-
-
298.11429
D-erythro-N-stearoylsphingosine
-
ME606166
-
-
-
300.28873
5,8,11-Eicosatriynoic acid
5,8,11-Eicosatriynoic acid
ME606129
-
-
-
301.21576
Sphinganine
Sphinganine
ME606268
-
-
-
302.30484
5-Hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid, 1,5...
-
ME606130
-
-
-
303.23138
Glu-Arg
Glu-Arg
ME606175
-
-
-
304.16068
Epigallocatechin
Epigallocatechin
ME606172
-
-
-
307.08267
gamma-Glutamyltyrosine
gamma-Glutamyltyrosine
ME606296
-
-
-
311.12292
CAR 10:0
CAR 10:0
ME606171
-
-
-
316.24744
15-Hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoic acid
-
ME606109
-
-
-
319.22617
UMP
UMP
ME606282
-
-
-
325.04251
CAR 12:0
CAR 12:0
ME606298
-
-
-
344.27847
AMP
AMP
ME606138
-
-
-
348.06973
GMP
GMP
ME606185
-
-
-
364.06476
Sucrose
Sucrose
ME606272
-
-
-
365.10406
CAR 14:0
CAR 14:0
ME606210
-
-
-
372.30948
Riboflavin
Riboflavin
ME606262
-
-
-
377.14459
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME606168
-
-
-
380.25528
Sphinganine 1-phosphate
Sphinganine 1-phosphate
ME606167
-
-
-
382.27048
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME606263
-
-
-
385.12769
S-Adenosylmethionine
S-Adenosylmethionine
ME606264
-
-
-
399.14395
CAR 16:0
CAR 16:0
ME606248
-
-
-
400.34106
CAR 16:0;OH
CAR 16:0;OH
ME606117
-
-
-
416.33557
CAR 18:2
CAR 18:2
ME606202
-
-
-
424.34091
CAR 18:1
CAR 18:1
ME606245
-
-
-
426.35635
Cysteine-glutathione disulfide
Cysteine-glutathione disulfide
ME606162
-
-
-
427.09412
CAR 20:4
CAR 20:4
ME606144
-
-
-
448.34033
LPE 16:0/0:0
LPE 16:0/0:0
ME606100
-
-
-
454.29193
1-Myristoyl-sn-glycero-3-phosphocholine
LPC 14:0/0:0
ME606092
-
-
-
468.30585
LPE 18:2
LPE 18:2
ME606310
-
-
-
478.29175
LPE 18:1/0:0
LPE 18:1/0:0
ME606097
-
-
-
480.30716
LPC P-16:0 or LPC O-16:1
LPC P-16:0 or LPC O-16:1
ME606076
-
-
-
480.34384
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolam...
LPE 18:0/0:0
ME606107
-
-
-
482.32242
1-Pentadecanoyl-sn-glycero-3-phosphocholine
LPC 15:0/0:0
ME606104
-
-
-
482.32874
LPC O-16:0
LPC O-16:0
ME606085
-
-
-
482.36572
LPC 16:2
LPC 16:2
ME606300
-
-
-
492.30704
LPC 16:1
LPC 16:1
ME606299
-
-
-
494.32321
LPA 16:0/0:0
LPA 16:0/0:0
ME606103
-
-
-
496.33826
LPC P-18:0 or LPC O-18:1
LPC P-18:0 or LPC O-18:1
ME606079
-
-
-
508.37433
1-Heptadecanoyl-sn-glycero-3-phosphocholine
LPC 17:0/0:0
ME606082
-
-
-
510.35278
Taurocholic acid
Taurocholic acid
ME606274
-
-
-
516.29755
LPC 18:3
LPC 18:3
ME606302
-
-
-
518.32239
LPC 18:2
LPC 18:2
ME606301
-
-
-
520.33813
LPC 18:1/0:0
LPC 18:1/0:0
ME606096
-
-
-
522.35297
LPC 18:0/0:0
LPC 18:0/0:0
ME606106
-
-
-
524.36896
LPC 19:0
LPC 19:0
ME606303
-
-
-
538.38446
LPC 20:5
LPC 20:5
ME606306
-
-
-
542.32214
LPC 20:4
LPC 20:4
ME606305
-
-
-
544.33813
LPC 20:1
LPC 20:1
ME606304
-
-
-
550.38483
1-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine
LPC 20:4/0:0
ME606080
-
-
-
552.40027
LPC 22:6
LPC 22:6
ME606308
-
-
-
568.33801
LPC 22:1
LPC 22:1
ME606307
-
-
-
578.41638
1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine
LPC 22:0/0:0
ME606081
-
-
-
580.43036
Biliverdin
Biliverdin
ME606154
-
-
-
583.25507
2-(5-Oxovaleryl)phosphatidylcholine
-
ME606112
-
-
-
594.375
LPC 24:1
LPC 24:1
ME606309
-
-
-
606.44739
1-Lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholin...
LPC 24:0
ME606086
-
-
-
608.46271
Urea
Urea
ME606284
-
-
-
61.03995
Glutathione
Glutathione
ME606180
-
-
-
613.1582
Hemin cation
-
ME606187
-
-
-
616.17499
Ethanolamine
Ethanolamine
ME606174
-
-
-
62.0604
1-Palmitoyl-2-azelaoylphosphatidylcholine
-
ME606098
-
-
-
666.43268
SM 18:1;O2/16:0
SM 18:1;O2/16:0
ME606247
-
-
-
703.57294
1-Palmitoyl-2-myristoyl-sn-glycero-3-phosphocholin...
PC 16:0/14:0
ME606102
-
-
-
706.53711
N-Oleoyl-D-erythro-sphingosylphosphorylcholine
-
ME606227
-
-
-
729.58832
PC 16:1/16:1
PC 16:1/16:1
ME606074
-
-
-
730.53668
SM 18:1;O2/18:0
SM 18:1;O2/18:0
ME606213
-
-
-
731.60297
1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine
-
ME606095
-
-
-
732.55042
1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine
PC 18:0/14:0
ME606108
-
-
-
734.56726
2-Arachidonoyl-1-palmitoyl-sn-glycero-3-phosphoeth...
PE 16:0/20:4
ME606114
-
-
-
740.52075
Methylguanidine
Methylguanidine
ME606088
-
-
-
74.07163
PC 16:0/18:2
PC 16:0/18:2
ME606101
-
-
-
758.56726
1-O-Hexadecyl-2-O-(5Z,8Z,11Z,14Z,17Z-eicosapentaen...
PC O-16:0/20:5
ME606094
-
-
-
766.57178
1-Hexadecyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...
PC O-16:0/20:3
ME606083
-
-
-
768.58759
1-Hexadecyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glyce...
PC O-16:0/20:5
ME606084
-
-
-
770.59338
PC 18:3/18:3
PC 18:3/18:3
ME606071
-
-
-
778.54407
Palmitoyleicosapentaenoyl phosphatidylcholine
-
ME606249
-
-
-
780.55219
1,2-Dilinoleoyl-sn-glycero-3-phosphocholine
-
ME606073
-
-
-
782.56708
PC 18:1/18:1
PC 18:1/18:1
ME606075
-
-
-
786.59778
SM 18:1;O2/22:0
SM 18:1;O2/22:0
ME606221
-
-
-
787.6662
1-O-Hexadecyl-2-O-(4Z,7Z,10Z,13Z,16Z,19Z-docosahex...
PC O-16:0/22:6
ME606093
-
-
-
792.58746
PC O-18:1/20:4
PC O-18:1/20:4
ME606078
-
-
-
794.60144
PC 16:0/22:6
PC 16:0/22:6
ME606099
-
-
-
806.56738
1-Stearoyl-2-arachidonyl-sn-glycero-3-phosphocholi...
PC 18:0/20:4
ME606105
-
-
-
810.59753
PC O-18:1/22:6
PC O-18:1/22:6
ME606077
-
-
-
818.60303
1,2-Diarachidonoyl-sn-glycero-3-phosphocholine
PC 20:4/20:4
ME606072
-
-
-
830.56671
Putrescine
Putrescine
ME606260
-
-
-
89.10747
Alanine
Alanine
ME606142
-
-
-
90.05508
Sarcosine
Sarcosine
ME606269
-
-
-
90.05511
Analysis: HILIC NEGATIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Oxalic acid mono(N-methyl)amide
-
ME606430
-
-
-
102.0185
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME606337
-
-
-
103.03883
2-Hydroxyisobutyric acid
2-Hydroxyisobutyric acid
ME606332
-
-
-
103.03886
Serine
Serine
ME606449
-
-
-
104.03416
Hypotaurine
Hypotaurine
ME606399
-
-
-
108.01129
Uracil
Uracil
ME606464
-
-
-
111.01887
Creatinine
Creatinine
ME606370
-
-
-
112.0507
Fumaric acid
Fumaric acid
ME606380
-
-
-
115.00267
Guanidoacetic acid
Guanidoacetic acid
ME606394
-
-
-
116.04555
Valine
Valine
ME606467
-
-
-
116.07046
Succinic acid
Succinic acid
ME606451
-
-
-
117.01803
Erythronolactone
-
ME606378
-
-
-
117.01809
Threonine
Threonine
ME606460
-
-
-
118.04976
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME606345
-
-
-
121.02833
Taurine
Taurine
ME606455
-
-
-
124.00616
1,2,4-Trihydroxybenzene
1,2,4-Trihydroxybenzene
ME606364
-
-
-
125.02318
Pyroglutamic acid
Pyroglutamic acid
ME606444
-
-
-
128.03412
N-Acetylalanine
N-Acetylalanine
ME606412
-
-
-
130.0499
trans-4-Hydroxyproline
trans-4-Hydroxyproline
ME606453
-
-
-
130.05014
Leucine
Leucine
ME606405
-
-
-
130.0863
Isoleucine
Isoleucine
ME606403
-
-
-
130.08633
Methylsuccinic acid
Methylsuccinic acid
ME606410
-
-
-
131.0338
Glutaric acid
Glutaric acid
ME606389
-
-
-
131.03386
Aspartic acid
Aspartic acid
ME606362
-
-
-
132.02911
Malic acid
Malic acid
ME606407
-
-
-
133.01311
Threonic acid
Threonic acid
ME606459
-
-
-
135.02879
Hypoxanthine
Hypoxanthine
ME606400
-
-
-
135.03012
4-Hydroxybenzoic acid
4-Hydroxybenzoic acid
ME606346
-
-
-
137.02333
Urocanic acid
Urocanic acid
ME606466
-
-
-
137.03465
4-Nitrophenol
4-Nitrophenol
ME606348
-
-
-
138.01848
Sulfoacetic acid
Sulfoacetic acid
ME606452
-
-
-
138.96954
Phosphoethanolamine
Phosphoethanolamine
ME606426
-
-
-
140.01076
2-Hydroxyquinoline
2-Hydroxyquinoline
ME606334
-
-
-
144.04442
N-Isobutyrylglycine
Isobutyrylglycine
ME606420
-
-
-
144.0654
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME606343
-
-
-
144.06543
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME606344
-
-
-
144.07678
Adipic acid
Adipic acid
ME606353
-
-
-
145.04956
Glutamine
Glutamine
ME606388
-
-
-
145.06056
Lysine
Lysine
ME606406
-
-
-
145.09711
Glutamic acid
Glutamic acid
ME606387
-
-
-
146.04466
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME606331
-
-
-
147.02888
Xanthine
Xanthine
ME606468
-
-
-
151.02495
2-Hydroxyphenylacetic acid
2-Hydroxyphenylacetic acid
ME606333
-
-
-
151.03888
Arabitol
Arabitol
ME606357
-
-
-
151.06009
3-Methyl-4-nitrophenol
-
ME606341
-
-
-
152.03406
2,6-Dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME606328
-
-
-
153.0182
Histidine
Histidine
ME606398
-
-
-
154.06105
Orotic acid
Orotic acid
ME606429
-
-
-
155.00874
Tiglylglycine
Tiglylglycine
ME606502
-
-
-
156.06549
Allantoin
Allantoin
ME606355
-
-
-
157.0356
Isovalerylglycine
Isovalerylglycine
ME606421
-
-
-
158.08116
Pimelic acid
Pimelic acid
ME606441
-
-
-
159.06525
3-Hydroxyoctanoic acid
3-Hydroxyoctanoic acid
ME606340
-
-
-
159.1017
N-Methyl-glutamic acid
N-Methyl-glutamic acid
ME606422
-
-
-
160.06049
Glucosan
Glucosan
ME606316
-
-
-
161.04446
Phenylpyruvic acid
Phenylpyruvic acid
ME606437
-
-
-
163.03908
Methionine sulfoxide
Methionine sulfoxide
ME606409
-
-
-
164.03764
Phenylalanine
Phenylalanine
ME606436
-
-
-
164.07066
Phthalic acid
Phthalic acid
ME606440
-
-
-
165.01805
Phenyllactic acid
Phenyllactic acid
ME606342
-
-
-
165.05453
2-Mercaptobenzothiazole
-
ME606335
-
-
-
165.97798
Phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME606438
-
-
-
166.97418
rac-Glycerol 3-phosphoate
-
ME606500
-
-
-
171.00529
1,4-Cyclohexanedicarboxylic acid
-
ME606315
-
-
-
171.06505
1,3-Cyclohexanedicarboxylic acid
-
ME606314
-
-
-
171.06522
4-Hydroxyquinoline-2-carbaldehyde
-
ME606347
-
-
-
172.0394
Hexanoylglycine
Hexanoylglycine
ME606397
-
-
-
172.09685
N-Acetylleucine
N-Acetylleucine
ME606416
-
-
-
172.09685
Suberic acid
Suberic acid
ME606501
-
-
-
173.08086
N-Acetylornithine
N-Acetylornithine
ME606423
-
-
-
173.09207
Arginine
Arginine
ME606358
-
-
-
173.10327
Citrulline
Citrulline
ME606369
-
-
-
174.08733
Hippuric acid
Hippuric acid
ME606395
-
-
-
178.05022
D-Tagatose
D-Tagatose
ME606454
-
-
-
179.05499
Sorbose
Sorbose
ME606450
-
-
-
179.05504
9-Fluorenone
-
ME606351
-
-
-
179.05513
p-Hydroxyphenyllactic acid
-
ME606499
-
-
-
181.04951
Galactitol
Galactitol
ME606473
-
-
-
181.07333
4-Pyridoxic acid
4-Pyridoxic acid
ME606349
-
-
-
182.04469
2-Phosphoglyceric acid
2-Phosphoglyceric acid
ME606336
-
-
-
184.98468
Azelaic acid
Azelaic acid
ME606363
-
-
-
187.0966
N6-Acetyllysine
N6-Acetyllysine
ME606424
-
-
-
187.10776
N(2)-Acetyllysine
N(2)-Acetyllysine
ME606425
-
-
-
187.10791
10-Hydroxydecanoic acid
10-Hydroxydecanoic acid
ME606338
-
-
-
187.13301
Kynurenic acid
Kynurenic acid
ME606404
-
-
-
188.03424
Gly-Asp
Gly-Asp
ME606391
-
-
-
189.05081
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid
2-Oxindole-3-acetate
ME606312
-
-
-
190.05
N-Acetylmethionine
N-Acetylmethionine
ME606418
-
-
-
190.05327
Citric acid
Citric acid
ME606368
-
-
-
191.01872
Glucuronic acid
Glucuronic acid
ME606386
-
-
-
193.03467
Gluconic acid
Gluconic acid
ME606384
-
-
-
195.04999
N-Acetylhistidine
N-Acetylhistidine
ME606415
-
-
-
196.07178
Cysteine-S-sulfate
Cysteine-S-sulfate
ME606447
-
-
-
199.96837
Sebacic acid
Sebacic acid
ME606448
-
-
-
201.11218
Dimethylarginine
Dimethylarginine
ME606411
-
-
-
201.13481
Gly-Glu
Gly-Glu
ME606392
-
-
-
203.06659
Tryptophan
Tryptophan
ME606462
-
-
-
203.0817
Indolelactic acid
Indolelactic acid
ME606401
-
-
-
204.06573
N-Acetylphenylalanine
N-Acetylphenylalanine
ME606413
-
-
-
206.08136
2-Benzothiazolesulfonic acid
-
ME606329
-
-
-
213.96294
Undecanedioic acid
Undecanedioic acid
ME606463
-
-
-
215.12802
3-Hydroxydodecanoic acid
3-Hydroxydodecanoic acid
ME606339
-
-
-
215.16443
Pantothenic acid
Pantothenic acid
ME606435
-
-
-
218.10254
N-Acetyl-mannosamine
N-Acetyl-mannosamine
ME606417
-
-
-
220.08177
N-Acetyltyrosine
N-Acetyltyrosine
ME606414
-
-
-
222.0762
Myo-inositol
Myo-inositol
ME606498
-
-
-
225.06094
Carnosine
Carnosine
ME606366
-
-
-
225.09839
Deoxyuridine
Deoxyuridine
ME606330
-
-
-
227.06664
Traumatic acid
Traumatic acid
ME606503
-
-
-
227.12807
Ergothioneine
Ergothioneine
ME606377
-
-
-
228.08052
Ribose 5-phosphate
Ribose 5-phosphate
ME606446
-
-
-
229.01128
Dodecanedioic acid
Dodecanedioic acid
ME606375
-
-
-
229.14389
Cystine
Cystine
ME606372
-
-
-
239.01581
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME606365
-
-
-
239.09186
Anserine
Anserine
ME606356
-
-
-
239.11438
Thymidine
Thymidine
ME606461
-
-
-
241.08229
Cytidine
Cytidine
ME606373
-
-
-
242.07773
Pseudouridine
Pseudouridine
ME606443
-
-
-
243.06152
Uridine
Uridine
ME606465
-
-
-
243.06154
Tridecanedioic acid
Tridecanedioic acid
ME606313
-
-
-
243.15939
beta-Hydroxymyristic acid
3-Hydroxytetradecanoic acid
ME606470
-
-
-
243.19609
N-Acetyl-tryptophan
N-Acetyl-tryptophan
ME606419
-
-
-
245.09251
Asp-Leu
Asp-Leu
ME606361
-
-
-
245.11353
Asp-Asn
Asp-Asn
ME606359
-
-
-
246.07288
Asp-Asp
Asp-Asp
ME606360
-
-
-
247.05656
Glu-Thr
Glu-Thr
ME606383
-
-
-
247.09288
Thr-Glu
Thr-Glu
ME606458
-
-
-
247.093
Daidzein
Daidzein
ME606374
-
-
-
253.05026
2'-O-Methyluridine
2'-O-Methyluridine
ME606327
-
-
-
257.07721
Tetradecanedioic acid
Tetradecanedioic acid
ME606457
-
-
-
257.1752
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME606385
-
-
-
258.03781
Mannose 6-phosphate
Mannose 6-phosphate
ME606408
-
-
-
259.02219
Fructose 1-phosphate
Fructose 1-phosphate
ME606379
-
-
-
259.02274
gamma-Glutamylleucine
gamma-Glutamylleucine
ME606475
-
-
-
259.12936
Inosine
Inosine
ME606402
-
-
-
267.07291
gamma-Glutamylglutamine
gamma-Glutamylglutamine
ME606474
-
-
-
274.10394
Glu-Lys
Glu-Lys
ME606382
-
-
-
274.14047
Xanthosine
Xanthosine
ME606469
-
-
-
283.06784
Hexadecanedioic acid
Hexadecanedioic acid
ME606396
-
-
-
285.20667
Ophthalmic acid
Ophthalmic acid
ME606427
-
-
-
288.11948
9-Hydroperoxy-10E,12Z-octadecadienoic acid
-
ME606352
-
-
-
293.21109
Coriolic acid
Coriolic acid
ME606325
-
-
-
295.22702
gamma-Glutamyltyrosine
gamma-Glutamyltyrosine
ME606476
-
-
-
309.10852
Octadecanedioic acid
Octadecanedioic acid
ME606428
-
-
-
313.23792
12S-HETE
12S-HETE
ME606324
-
-
-
319.22699
Dodecylbenzenesulfonic acid
Dodecylbenzenesulfonic acid
ME606376
-
-
-
325.18222
14-HDoHE
14-HDoHE
ME606326
-
-
-
343.22702
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME606472
-
-
-
378.24057
erythro-Sphinganine-1-phosphate
Sphinganine 1-phosphate
ME606471
-
-
-
380.25626
Trehalose
Trehalose
ME606311
-
-
-
387.11407
Cysteine-glutathione disulfide
Cysteine-glutathione disulfide
ME606371
-
-
-
425.0799
LPE 16:0
LPE 16:0
ME606490
-
-
-
452.27771
6alpha-Mannobiose
-
ME606350
-
-
-
455.10168
1-(9Z-Octadecenyl)-sn-glycero-3-phosphoethanolamin...
-
ME606318
-
-
-
464.31476
Cholesterol sulfate
Cholesterol sulfate
ME606367
-
-
-
465.30383
LPE 18:3
LPE 18:3
ME606494
-
-
-
474.26208
LPE 18:2
LPE 18:2
ME606493
-
-
-
476.27713
LPE 18:1
LPE 18:1
ME606492
-
-
-
478.29279
LPE 18:0
LPE 18:0
ME606491
-
-
-
480.30865
LPE 20:5
LPE 20:5
ME606496
-
-
-
498.26212
LPE 20:4
LPE 20:4
ME606495
-
-
-
500.27731
LPC 14:0
LPC 14:0
ME606477
-
-
-
512.29742
Taurocholic acid
Taurocholic acid
ME606456
-
-
-
514.2829
LPE 22:6
LPE 22:6
ME606497
-
-
-
524.2771
LPC P-16:0 or LPC O-16:1
LPC P-16:0 or LPC O-16:1
ME606317
-
-
-
524.33435
LPC 16:1
LPC 16:1
ME606479
-
-
-
538.31409
LPC 16:0
LPC 16:0
ME606478
-
-
-
540.32941
Gentianose
-
ME606381
-
-
-
549.16705
1-Heptadecanoyl-sn-glycero-3-phosphocholine
LPC 17:0/0:0
ME606319
-
-
-
554.34521
LPC 18:3
LPC 18:3
ME606483
-
-
-
562.31378
LPC 18:2
LPC 18:2
ME606482
-
-
-
564.32892
LPC 18:1
LPC 18:1
ME606481
-
-
-
566.3443
LPC 18:0
LPC 18:0
ME606480
-
-
-
568.36053
LPC 19:0
LPC 19:0
ME606484
-
-
-
582.37762
LPC 20:5
LPC 20:5
ME606488
-
-
-
586.31421
LPC 20:4
LPC 20:4
ME606487
-
-
-
588.32947
LPC 20:1
LPC 20:1
ME606486
-
-
-
594.37622
LPC 20:0
LPC 20:0
ME606485
-
-
-
596.39233
Glutathione
Glutathione
ME606390
-
-
-
611.14386
LPC 22:6
LPC 22:6
ME606489
-
-
-
612.32947
Propionic acid
Propionic acid
ME606442
-
-
-
73.02843
SM 18:1;O2/16:0
SM 18:1;O2/16:0
ME606434
-
-
-
747.56573
PC 16:0/18:2
PC 16:0/18:2
ME606322
-
-
-
802.56006
PC 36:5
PC 36:5
ME606431
-
-
-
824.54492
PC 16:0/20:4
PC 16:0/20:4
ME606320
-
-
-
826.56036
PI 34:2
PI 34:2
ME606432
-
-
-
833.5188
PC 16:0/22:6
PC 16:0/22:6
ME606321
-
-
-
850.56024
PI 36:4
PI 36:4
ME606433
-
-
-
857.51935
Pyruvic acid
Pyruvic acid
ME606445
-
-
-
87.00764
Alanine
Alanine
ME606354
-
-
-
88.03925
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'...
PI 18:0/20:4
ME606323
-
-
-
885.54974
Glyceraldehyde
Glyceraldehyde
ME606393
-
-
-
89.02325
Phosphoric acid
Phosphoric acid
ME606439
-
-
-
96.95883
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