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Return to study ST000689 main page
Analysis: Reversed phase 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
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-
PC 16:0_18:0
ME192164
18631368
-
25.575
761.597
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-
PC 16:0_18:0
ME192165
18631368
-
25.434
761.5909
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
LPC 16:0
ME192163
460602
-
22.253
495.3311
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
LPE 18:0
ME192166
9547068
-
22.649
481.3151
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-
1-Methyladenosine
ME192162
27476
-
3.295
281.1107
2-AMINO-2-METHYLPROPANOATE (CAS# 62-57-7); (M-H)-
Aminoisobutyric acid
ME192168
22316286
-
1.282
103.0634
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...
dCMP
ME192167
13945
-
0.836
307.0585
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-
2-Deoxy-glucose
ME192169
439268
-
0.704
164.0691
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-
2-Deoxy-glucose
ME192170
439268
-
0.681
164.0671
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME192171
853180
-
3.543
118.0628
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...
2-Hydroxy-4-(methylthio)butanoic acid
ME192172
11427
-
3.381
150.0346
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
2-Methylglutaric acid
ME192173
12046
-
3.59
146.0578
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-
Citraconic acid
ME192174
643798
-
1.839
130.0276
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...
Hydroxyphenyllactic acid
ME192176
9378
-
3.806
182.0575
3'-CMP (CAS# 63-37-6); (M-H)-
3'-CMP
ME192175
66535
-
0.745
323.0525
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...
3-Hydroxymethylglutaric acid
ME192177
1662
-
1.627
162.0528
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-
Methylglutaric acid
ME192178
12284
-
3.59
146.0578
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-
3-Methyladipic acid
ME192179
12292
-
5.733
160.0731
3-PHOSPHOGLYCERATE (CAS# ); (M-H)-
3-Phosphoglyceric acid
ME192180
439183
-
0.916
185.9936
3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)-
3-Sulfino-alanine
ME192181
109
-
0.728
153.009
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-
4-Acetamidobutanoic acid
ME192182
18189
-
1.821
145.0735
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M-H)-
cis-4-Hydroxyproline
ME192183
440015
-
0.938
131.0582
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-
Ketoleucine
ME192184
70
-
4.803
130.0629
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-
Ketoleucine
ME192185
70
-
4.803
130.0629
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
4-Nitrophenol
ME192186
980
-
7.029
139.0269
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-
4-Pyridoxic acid
ME192187
6723
-
1.875
183.0527
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M-H)-
4-Quinolinecarboxylic acid
ME192188
10243
-
4.766
173.0489
5-AMINOLEVULINATE (CAS# 106-60-5); (M-H)-
5-Amino-levulinic acid
ME192191
137
-
0.938
131.0582
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
5'-Methylthioadenosine
ME192189
439176
-
4.471
297.0892
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-
5'-Methylthioadenosine
ME192190
439176
-
4.473
297.0891
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
Pyroglutamic acid
ME192192
7405
-
1.181
129.0423
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-
Pimelic acid
ME192193
385
-
5.733
160.0731
6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M-H)-
6-Hydroxynicotinic acid
ME192194
72924
-
1.673
139.0268
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-
AMP
ME192195
6083
-
0.909
347.0612
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-
Adipic acid
ME192196
196
-
3.59
146.0578
ADPGLUCOSE (CAS# ); (M-H)-
ADP-glucose
ME192198
16500
-
0.915
589.0813
ADP-RIBOSE (CAS# ); (M-H)-
ADP-ribose
ME192197
33576
-
0.775
559.0693
ALANINE (CAS# 56-41-7); (M-H)-
Alanine
ME192199
5950
-
0.938
89.0483
ALLANTOIN (CAS# 97-59-6); (M-H)-
Allantoin
ME192200
439714
-
0.66
158.0432
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
Allose
ME192201
439507
-
1.627
180.0644
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...
Galactose 1-phosphate
ME192202
123912
-
0.729
260.0302
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
alpha-Linolenic acid
ME192203
5280934
-
22.828
278.2223
ARABITOL (CAS# 7643-75-6); (M+CL)-
Arabitol
ME192204
94154
-
0.669
152.0691
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-
Arachidic acid
ME192205
10467
-
23.587
312.3024
ARACHIDONATE (CAS# 506-32-1); (M-H)-
Arachidonic acid
ME192206
444899
-
22.69
304.2403
ASPARTATE (CAS# 56-84-8); (M-H)-
Aspartic acid
ME192207
5960
-
0.735
133.0371
AZELAIC ACID (CAS# 123-99-9); (M-H)-
Azelaic acid
ME192208
2266
-
10.786
188.1047
BEHENIC ACID (CAS# 112-85-6); (M-H)-
Behenic acid
ME192209
8215
-
24.101
340.3333
BETA-ALANINE (CAS# 107-95-9); (M-H)-
beta-Alanine
ME192210
239
-
0.865
89.0483
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME192211
439186
-
0.726
342.1175
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME192212
439186
-
0.74
342.114
BIOTIN (CAS# 58-85-5); (M+CL)-
Biotin
ME192213
11966127
-
6.274
244.0867
BIOTIN (CAS# 58-85-5); (M-H)-
Biotin
ME192214
11966127
-
6.28
244.0875
CELLOBIOSE (CAS# 528-50-7); (M+CL)-
Cellobiose
ME192215
294
-
0.726
342.1176
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); (M-...
Cholesterol sulfate
ME192216
65076
-
23.564
466.3116
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-
Choline phosphate
ME192217
1014
-
0.898
183.0662
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-
cis-Gondoic acid
ME192218
5282768
-
23.249
310.2881
CIS-ACONITATE (CAS# 585-84-2); (M-H)-
cis-Aconitic acid
ME192219
643757
-
1.151
174.0167
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
cis-Vaccenic acid
ME192220
5282761
-
22.912
282.2557
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
cis-Zeatin
ME192221
688597
-
3.867
219.1122
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
cis-Zeatin
ME192222
688597
-
3.867
219.1123
CITRAMALATE (CAS# 2306-22-1); (M-H)-
Citramalic acid
ME192223
441696
-
1.497
148.0374
CITRATE (CAS# 77-92-9); (M-H)-
Citric acid
ME192224
311
-
1.015
192.0269
CITRULLINE (CAS# 372-75-8); (M-H)-
Citrulline
ME192225
9750
-
0.661
175.0963
CMP (CAS# 63-37-6); (M-H)-
CMP
ME192226
6131
-
0.746
323.0525
CORTISONE (CAS# 53-06-5); (M+CL)-
Cortisone
ME192227
222786
-
13.414
360.1933
CORTISONE (CAS# 53-06-5); (M+HCOO)-
Cortisone
ME192228
222786
-
13.414
360.1936
CREATINE (CAS# 57-00-1); (M-H)-
Creatine
ME192229
586
-
0.662
131.0695
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...
Cycloheptanecarboxylic acid
ME192230
15091
-
10.786
142.0994
CYTIDINE (CAS# 65-46-3); (M-H)-
Cytidine
ME192231
6175
-
0.646
243.087
DAMP (CAS# 653-63-4); (M-H)-
dAMP
ME192241
12599
-
1.185
331.0672
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-
Arabinose
ME192232
66308
-
0.679
150.0521
DECANOATE (CAS# 334-48-5); (M-H)-
Capric acid
ME192242
2969
-
19.87
172.1457
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-
Dehydroascorbic acid
ME192243
210328
-
0.665
174.0156
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
Dehydroascorbic acid
ME192245
210328
-
0.769
174.0163
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-
Dehydroascorbic acid
ME192244
210328
-
1.044
174.0164
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-
Deoxycholic acid
ME192246
222528
-
21.987
392.2933
DEOXYCYTIDINE (CAS# 951-77-9); (M-H)-
Deoxycytidine
ME192248
13711
-
0.713
227.09
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-
Deoxycytidine
ME192247
13711
-
0.955
227.0907
DEOXYGUANOSINE 5'-TRIPHOSPHATE (CAS# 2564-35-4); (...
dGTP
ME192249
65103
-
3.915
506.9913
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-
Deoxyuridine
ME192250
13712
-
1.61
228.0748
DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)-
3'-Dephospho-CoA
ME192251
444485
-
3.786
687.1444
DETHIOBIOTIN (CAS# 533-48-2); (M+CL)-
Dethiobiotin
ME192252
445027
-
8.322
214.1307
D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)-
Galactosamine
ME192233
3034366
-
0.852
179.0787
D-GALACTOSAMINE (CAS# 7535-00-4); (M-H)-[-H2O]
Galactosamine
ME192234
3034366
-
0.679
179.0792
DGDP (CAS# 653-63-4); (M-H)-
dGDP
ME192253
439220
-
1.185
427.0284
D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)-
Glucosamine
ME192235
439213
-
0.852
179.0787
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-
Glucose 6-phosphate
ME192236
5958
-
0.729
260.0302
DGMP (CAS# 902-04-5); (M-H)-
dGMP
ME192254
6994968
-
1.256
347.0604
DIACETYL (CAS# 431-03-8); (M+HCOO)-
Diacetyl
ME192255
650
-
2.05
86.0361
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)-
Dihydroxymandelic acid
ME192256
85782
-
0.738
184.0385
D-LYXOSE (CAS# 1114-34-7); (M+CL)-
Lyxose
ME192237
65550
-
0.679
150.0533
D-LYXOSE (CAS# 1114-34-7); (M-H)-
Lyxose
ME192239
65550
-
0.706
150.0527
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-
Lyxose
ME192238
65550
-
0.679
150.0521
D-MANNOSAMINE (CAS# 14307-02-9); (M-H)-[-H2O]
2-Amino-2-deoxy-D-mannose
ME192240
3034366
-
0.679
179.0792
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-
Docosahexaenoic acid
ME192257
445580
-
22.677
328.2408
EDTA (CAS# 60-00-4); (M-H)-
Edetic acid
ME192258
6049
-
1.206
292.0882
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
Elaidic acid
ME192259
637517
-
22.912
282.2557
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-
24-epi-Brassinolide
ME192260
115196
-
19.858
480.3448
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...
24-epi-Brassinolide
ME192261
115196
-
19.86
480.3449
ERUCIC ACID (CAS# 112-86-7); (M-H)-
cis-Erucic acid
ME192262
5281116
-
23.657
338.3178
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
Ethylmalonic acid
ME192263
11756
-
2.656
132.0419
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)...
FAD
ME192264
643975
-
6.366
785.1568
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-
Fructose
ME192265
5984
-
0.584
180.0637
FUMARATE (CAS# 110-17-8); (2M-H)-
Fumaric acid
ME192266
444972
-
1.245
116.0114
FUMARATE (CAS# 110-17-8); (M-H)-
Fumaric acid
ME192267
444972
-
1.235
116.0111
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-
Galacturonic acid
ME192268
84740
-
0.692
194.0409
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-
gamma-Butyrolactone
ME192269
7302
-
2.05
86.0361
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
gamma-Linolenic acid
ME192270
5280933
-
22.828
278.2223
GDPGLUCOSE (CAS# ); (M-H)-
GDP-glucose
ME192271
644106
-
1.104
605.0783
GDPMANNOSE (CAS# ); (M-H)-
GDP-mannose
ME192272
18396
-
0.799
605.0763
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-
Gibberellin A3
ME192273
6466
-
8.513
346.1408
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
Gibberellin A3
ME192274
6466
-
8.513
346.1414
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-
Gibberellin A3
ME192275
6466
-
8.514
346.1415
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
Glucaric acid
ME192276
33037
-
0.768
210.0385
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
Gluconic acid
ME192277
10690
-
0.679
196.0576
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-
Glucose 1-phosphate
ME192280
65533
-
0.729
260.0302
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]
Glucose
ME192278
5793
-
0.725
180.0647
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O]
Glucose
ME192279
5793
-
0.742
180.0649
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-
Glucuronic acid
ME192281
94715
-
0.692
194.0409
GLUTAMATE (CAS# 56-86-0); (M-H)-
Glutamic acid
ME192282
33032
-
0.636
147.0533
GLUTARATE (CAS# 110-94-1); (M-H)-
Glutaric acid
ME192283
743
-
2.051
132.0416
GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Glutathione
ME192284
124886
-
1.319
612.1516
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
Glyceraldehyde
ME192285
79014
-
1.627
90.0317
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-
sn-Glycero-2-phosphate
ME192286
2526
-
0.738
172.0137
GLYCINE (CAS# 56-40-6); (M-H)-
Glycine
ME192287
750
-
0.83
75.0327
GLYOXYLATE (CAS# 298-12-4); (M-H)-
Glyoxylic acid
ME192288
760
-
0.779
74.0011
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-...
-
ME192289
451
-
0.915
589.0817
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)-
GMP
ME192290
6804
-
0.928
363.0573
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
Margaric acid
ME192291
10465
-
22.945
270.2556
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-
Cerotic acid
ME192292
10469
-
25.725
396.3966
HIPPURATE (CAS# 495-69-2); (M-H)-
Hippuric acid
ME192293
464
-
4.823
179.0578
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
Hyodeoxycholic acid
ME192294
5283820
-
22.829
392.2946
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-
Indoleacetic acid
ME192295
802
-
8.125
175.0628
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M-H)-
IMP
ME192297
8582
-
1.04
348.0489
INOSINE (CAS# 58-63-9); (M-H)-
Inosine
ME192296
6021
-
1.804
268.0801
ISOCITRATE (CAS# 320-77-4); (M-H)-
Isocitric acid
ME192298
5318532
-
0.768
192.0268
ISOLEUCINE (CAS# 73-32-5); (M-H)-
Isoleucine
ME192299
6306
-
1.606
131.094
ITACONATE (CAS# 97-65-4); (M-H)-
Itaconic acid
ME192300
811
-
1.75
130.0276
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-
Jasmonic acid
ME192301
5281166
-
13.184
210.1253
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-
Jasmonic acid
ME192302
5281166
-
13.185
210.1258
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
2-Aminobenzoic acid
ME192310
227
-
5.36
138.0444
LACTOSE (CAS# 63-42-3); (M+CL)-
Lactose
ME192311
440995
-
0.726
342.1175
LAURIC ACID (CAS# 143-07-7); (M-H)-
Lauric acid
ME192312
3893
-
21.75
200.1765
LEUCINE (CAS# 328-39-2); (M-H)-
Leucine
ME192313
6106
-
1.606
131.094
L-FUCOSE 1-PHOSPHATE (CAS# 16562-58-6); (M-H)-
Fucose 1-phosphate
ME192303
439871
-
0.765
244.0333
L-GULONATE (CAS# 6322-07-2); (M-H)-
Gulonic acid
ME192305
152304
-
0.679
196.0576
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]
Gulonic acid
ME192304
152304
-
0.95
196.0567
L-HISTIDINE (CAS# 71-00-1); (M-H)-
Histidine
ME192306
6274
-
0.696
155.0686
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-
Lignoceric acid
ME192314
11197
-
24.783
368.3647
LINOLEATE (CAS# 60-33-3); (M-H)-
Linoleic acid
ME192315
5280450
-
22.703
280.2402
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-
Rhamnose
ME192307
25310
-
0.704
164.0691
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-
Rhamnose
ME192308
25310
-
0.681
164.068
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
Tryptophan
ME192309
16217285
-
3.615
206.0835
MALATE (CAS# 97-67-6); (M-H)-
Malic acid
ME192317
222656
-
0.776
134.0216
MALATE (CAS# 97-67-6); (M-H)+[-H2O]
Malic acid
ME192316
222656
-
1.086
134.0228
MALEAMATE (CAS# 557-24-4); (M-H)-
Maleamic acid
ME192318
5280451
-
0.937
115.0261
MALEIC ACID (CAS# 110-16-7); (M-H)-
Maleic acid
ME192319
444266
-
1.187
116.0111
MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME192320
439186
-
0.726
342.1176
MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME192321
439186
-
0.74
342.1141
MANDELIC ACID (CAS# 611-71-2); (M-H)-
Mandelic acid
ME192322
11914
-
6.881
152.046
MANNITOL (CAS# 69-65-8); (M-H)-
Mannitol
ME192323
6251
-
0.662
182.0782
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-
Mannose 6-phosphate
ME192324
439198
-
0.729
260.0302
MELIBIOSE (CAS# 585-99-9); (M+CL)-
Melibiose
ME192325
440658
-
0.726
342.1175
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-
Melibiose
ME192326
440658
-
0.74
342.114
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCO...
Methyl beta-D-galactoside
ME192327
94214
-
0.678
194.0782
METHYLMALONATE (CAS# 516-05-2); (M-H)-
Methylmalonic acid
ME192328
487
-
1.497
118.0268
MEVALONIC ACID (CAS# 674-26-0); (M-H)-
Mevalonic acid
ME192329
439230
-
1.768
148.0723
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-
Monomethyl glutaric acid
ME192330
73917
-
3.59
146.0578
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
Myristic acid
ME192331
11005
-
22.438
228.2091
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-
N-Acetylglucosamine
ME192332
446101
-
0.693
221.0899
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)-
N-Acetylglutamic acid
ME192334
185
-
1.282
189.0639
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
N-Acetylmethionine
ME192335
448580
-
4.087
191.0615
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-
N-Acetylserine
ME192336
65249
-
0.774
147.0531
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-
N-Acetyl-mannosamine
ME192333
53477792
-
0.693
221.0899
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-
N-Acetylgalactosamine
ME192340
35717
-
0.693
221.0899
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-
N-Acetylglycine
ME192341
1097
-
1.186
117.0423
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
N-Acetylalanine
ME192337
88064
-
1.49
131.0586
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-
N-Acetylaspartic acid
ME192338
65065
-
0.937
175.0482
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-
N-Acetylleucine
ME192339
75619
-
7.232
173.1051
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
N-Acetylneuraminic acid
ME192342
439197
-
0.726
309.1052
NAD (CAS# 53-84-9); (M-H)-
NAD
ME192347
5893
-
1.032
663.1077
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M-H...
N-Acetylasparagine
ME192343
99715
-
0.89
174.0623
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)-
Guanidinosuccinic acid
ME192344
439918
-
0.671
175.0585
NERVONIC ACID (CAS# 506-37-6); (M-H)-
Nervonic acid
ME192348
5281120
-
24.185
366.349
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS...
NAADP
ME192349
52942300
-
1.833
744.0633
NICOTINIC ACID MONONUCLEOTIDE (CAS# ); (M-H)-
Nicotinic acid mononucleotide
ME192350
4484
-
0.759
335.0393
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-
N-Methyl-D-aspartic acid
ME192345
4376
-
0.636
147.0533
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M-H)-
N-Methyl-glutamic acid
ME192346
439377
-
0.679
161.0687
NONANOATE (CAS# 112-05-0); (M-H)-
Pelargonic acid
ME192351
8158
-
18.396
158.1296
NORLEUCINE (CAS# 327-57-1); (M-H)-
Norleucine
ME192352
21236
-
1.606
131.094
OLEIC ACID (CAS# 112-80-1); (M-H)-
Oleic acid
ME192354
445639
-
22.912
282.2557
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M-H)+
DL-O-Phosphoserine
ME192353
106
-
1.115
185.0075
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-
Ophthalmic acid
ME192355
7018721
-
1.211
289.1271
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2
Oxidized glutathione
ME192356
65359
-
1.448
612.1493
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Oxidized glutathione
ME192357
65359
-
1.319
612.1516
PALATINOSE (CAS# 343336-76-5); (M+CL)-
Palatinose
ME192358
439559
-
0.726
342.1175
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-
Palatinose
ME192359
439559
-
0.74
342.114
PALMITATE (CAS# 57-10-3); (M-H)-
Palmitic acid
ME192360
985
-
22.832
256.24
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
Palmitoleic acid
ME192361
445638
-
22.586
254.2245
PANTOTHENATE (CAS# 79-83-4); (M+CL)-
Pantothenic acid
ME192362
6613
-
3.293
219.1106
PANTOTHENATE (CAS# 79-83-4); (M-H)-
Pantothenic acid
ME192363
6613
-
3.294
219.1108
PENICILLAMINE (CAS# 52-67-5); (2M-H)+[-H2]
Penicillamine
ME192364
5852
-
1.242
149.0524
PENTANOATE (CAS# 109-52-4); (M+HCOO)-
Valeric acid
ME192365
7991
-
1.776
102.0671
PHENYL ACETATE (CAS# 122-79-2); (M-H)-
Phenyl acetate
ME192367
999
-
3.849
136.0531
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
Phenyl acetate
ME192366
999
-
3.806
136.052
PHENYLALANINE (CAS# 63-91-2); (M-H)-
Phenylalanine
ME192368
6140
-
2.525
165.0786
PHYTANATE (CAS# 14721-66-5); (M-H)-
Phytanic acid
ME192369
10380830
-
23.587
312.3024
PROPENOATE (CAS# 79-10-7); (M-H)-
Acrylic acid
ME192370
6581
-
1.396
72.0218
PTERIN (CAS# 2236-60-4); (M-H)-
Pterin
ME192371
73000
-
1.523
163.0502
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M-H)-
Pyridoxal 5'-phosphate
ME192372
1051
-
1.287
247.0246
PYRUVATE (CAS# 127-17-3); (M-H)-
Pyruvic acid
ME192373
1060
-
0.778
88.0162
RAFFINOSE (CAS# 512-69-6); (M+CL)-
Raffinose
ME192374
439242
-
0.733
504.1709
RETINOATE (CAS# 302-79-4); (M-H)-
Retinoic acid
ME192375
444795
-
22.257
300.2079
RIBITOL (CAS# 488-81-3); (M+CL)-
Ribitol
ME192376
94154
-
0.669
152.0691
RIBOFLAVIN (CAS# 83-88-5); (M+CL)-
Riboflavin
ME192377
493570
-
7.61
376.1382
RIBOFLAVIN (CAS# 83-88-5); (M-H)-
Riboflavin
ME192379
493570
-
7.607
376.1383
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-
Riboflavin
ME192378
493570
-
7.61
376.1351
RIBOSE (CAS# 50-69-1); (M+CL)-
Ribose
ME192380
5779
-
0.679
150.0533
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME192159
440473
-
0.922
198.0636
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...
3-Methyl-2-oxovaleric acid
ME192160
47
-
4.392
130.0629
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)-
S-Adenosylhomocysteine
ME192381
439155
-
1.5
384.1219
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-
S-Adenosylhomocysteine
ME192382
439155
-
1.497
384.1211
S-CARBOXYMETHYL-L-CYSTEINE (CAS# 638-23-3); (M-H)-
S-Carboxymethyl-cysteine
ME192383
193653
-
0.831
179.0252
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-
4,5-Dihydroorotic acid
ME192161
1149667
-
0.773
158.0323
SEBACIC ACID (CAS# 111-20-6); (M-H)-
Sebacic acid
ME192384
5192
-
13.003
202.1207
SERINE (CAS# 56-45-1); (M-H)-
Serine
ME192385
617
-
0.835
105.0425
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME192386
439285
-
0.884
257.1006
STEARATE (CAS# 57-11-4); (M-H)-
Stearic acid
ME192387
5281
-
23.17
284.2715
SUBERIC ACID (CAS# 505-48-6); (M-H)-
Suberic acid
ME192388
10457
-
8.302
174.0886
SUCCINATE (CAS# 110-15-6); (M-H)-
Succinic acid
ME192389
1110
-
1.294
118.0267
SUCROSE (CAS# 57-50-1); (M+CL)-
Sucrose
ME192390
5988
-
0.726
342.1176
SUCROSE (CAS# 57-50-1); (M+HCOO)-
Sucrose
ME192391
5988
-
0.74
342.1141
TAURINE (CAS# 107-35-7); (M-H)-
Taurine
ME192392
1123
-
0.675
125.0151
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]
Threonine
ME192393
6288
-
0.774
119.0581
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M-H)-
trans-4-Hydroxyproline
ME192394
5810
-
0.938
131.0582
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
trans-Aconitic acid
ME192395
444212
-
1.151
174.0167
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
trans-Vaccenic acid
ME192396
5281127
-
22.912
282.2557
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-
1,2,3-Propanetricarboxylic acid
ME192397
14925
-
1.29
176.0322
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-
Tricosylic acid
ME192398
17085
-
24.408
354.3498
TRYPTOPHAN (CAS# 73-22-3); (2M-H)-
Tryptophan
ME192399
6305
-
3.61
204.09
TRYPTOPHAN (CAS# 73-22-3); (M-H)-
Tryptophan
ME192400
6305
-
3.613
204.0896
TYROSINE (CAS# 60-18-4); (M-H)-
Tyrosine
ME192401
6057
-
1.303
181.0735
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)-
UDP-galactose
ME192402
44134987
-
1.364
566.0541
UDP-GLUCOSE (CAS# 133-89-1); (M-H)-
UDP-glucose
ME192403
53477679
-
1.295
566.0541
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)-
UDP-N-acetylgalactosamine
ME192404
23724461
-
0.814
607.0811
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)-
UDP-N-acetylglucosamine
ME192405
445675
-
1.417
607.0808
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)-
Uracil-5-carboxylic acid
ME192407
6971263
-
1.249
156.0172
URACIL (CAS# 66-22-8); (M-H)-
Uracil
ME192406
1174
-
0.718
112.027
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-
UMP
ME192410
6030
-
0.799
324.0363
URIDINE (CAS# 58-96-8); (M-H)-
Uridine
ME192409
6029
-
1.11
244.0695
URIDINE (CAS# 58-96-8); (M+HCOO)-
Uridine
ME192408
6029
-
1.088
244.0678
URSODIOL (CAS# 128-13-2); (M-H)-
Ursodeoxycholic acid
ME192411
31401
-
21.734
392.2923
XANTHINE (CAS# 69-89-6); (M-H)-
Xanthine
ME192412
1188
-
1.25
152.0331
XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M-H)-
XMP
ME192414
73323
-
1.101
364.0402
XANTHOSINE (CAS# 146-80-5); (M-H)-
Xanthosine
ME192413
64959
-
2.274
284.0757
XYLOSE (CAS# 58-86-6); (M+HCOO)-
Xylose
ME192415
135191
-
0.736
150.0521
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-
trans-Zeatin
ME192416
449093
-
3.867
219.1122
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-
trans-Zeatin
ME192417
449093
-
3.867
219.1122
Analysis: Reversed phase 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
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+
10-Hydroxydecanoic acid
ME192425
6991989
-
13.437
188.1427
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+
11-Deoxycortisol
ME192426
440707
-
15.74
346.215
1-(5'-PHOSPHORIBOSYL)-5-AMINO-4-IMIDAZOLECARBOXAMI...
AICAR
ME192420
65110
-
0.832
338.0643
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+
PC 16:0_18:0
ME192429
18631368
-
25.437
761.5901
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+
PC 16:0_18:0
ME192430
18631368
-
25.434
761.5935
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+
LPC 16:0
ME192427
460602
-
22.241
495.33
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+
LPC 16:0
ME192428
460602
-
22.25
495.3325
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+
LPE 18:0
ME192431
9547068
-
22.65
481.3138
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...
1-Aminocyclopropanecarboxylic acid
ME192421
5460234
-
0.86
101.0481
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+
1-Methyladenosine
ME192422
27476
-
2.999
281.1113
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O...
MG 18:1
ME192423
5283468
-
22.847
356.2892
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+
MG 18:1
ME192424
5283468
-
22.689
356.2925
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+
LPC 20:0
ME192441
24779473
-
23.185
551.3897
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+
LPC 20:0
ME192442
24779473
-
22.963
551.3976
2-AMINO-2-METHYLPROPANOATE (CAS# 62-57-7); (M+H)+
Aminoisobutyric acid
ME192434
22316286
-
1.394
103.0624
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...
dCMP
ME192432
13945
-
0.727
307.0543
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+
2-Deoxy-glucose
ME192435
439268
-
0.763
164.0698
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+
Deoxyguanosine
ME192433
187790
-
1.775
267.0955
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME192436
853180
-
3.541
118.0639
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...
2-Hydroxy-4-(methylthio)butanoic acid
ME192437
11427
-
3.384
150.0349
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+
2-Methylglutaric acid
ME192438
12046
-
4.09
146.0568
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+
2-Methylglutaric acid
ME192439
12046
-
3.562
146.0587
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...
2-Methylpropanal oxime
ME192440
9023
-
1.14
87.069
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA...
Hydroxyphenyllactic acid
ME192444
9378
-
3.804
182.0589
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME192445
64956
-
1.821
103.0636
3'-CMP (CAS# 63-37-6); (M+H)+
3'-CMP
ME192443
66535
-
0.785
323.0495
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+
3-Dehydroxycarnitine
ME192446
725
-
0.665
145.1098
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...
3-Hydroxymethylglutaric acid
ME192447
1662
-
1.649
162.0526
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...
3-Hydroxymethylglutaric acid
ME192448
1662
-
1.649
162.0541
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA...
3-Hydroxymethylglutaric acid
ME192449
1662
-
1.645
162.0535
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O...
3-Hydroxybenzaldehyde
ME192450
101
-
4.825
122.0372
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M+H)+
Hydroxykynurenine
ME192451
11811
-
1.457
224.0775
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+
3-Methoxytyrosine
ME192452
9307
-
2.002
211.0829
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+
Methylglutaric acid
ME192453
12284
-
3.562
146.0587
3-METHYLADENINE (CAS# 5142-23-4); (M+NA)+
3-Methyladenine
ME192454
1673
-
0.926
149.0715
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+
3-Methylxanthine
ME192455
70639
-
2.241
166.0498
3-PHOSPHOGLYCERATE (CAS# ); (M+NA)+
3-Phosphoglyceric acid
ME192456
439183
-
0.779
185.9923
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+
4-Acetamidobutanoic acid
ME192457
18189
-
1.82
145.0743
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+
p-Aminobenzoic acid
ME192458
978
-
2.775
137.0478
4-AMINOBUTANOATE (CAS# 56-12-2); (M+H)+
gamma-Aminobutyric acid
ME192459
119
-
1.24
103.0624
4-COUMARATE (CAS# 501-98-4); (M+NA)+
cis-p-Coumaric acid
ME192460
637542
-
6.9
164.0464
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME192461
3845
-
4.923
189.0419
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0...
4-Hydroxy-3-methoxybenzenemethanol
ME192462
62348
-
3.911
154.0641
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+
cis-4-Hydroxyproline
ME192463
440015
-
0.622
131.0592
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+
4-Quinolinecarboxylic acid
ME192464
10243
-
3.302
173.0476
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...
Lathosterol
ME192472
65728
-
24.594
386.3545
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+
5-Amino-levulinic acid
ME192468
137
-
0.622
131.0592
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+
5-Aminopentanoic acid
ME192469
138
-
0.652
117.0787
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+H)+
5'-Deoxyadenosine
ME192465
439182
-
2.752
251.1023
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+
5'-Methylthioadenosine
ME192466
439176
-
4.467
297.0898
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+
5'-Methylthioadenosine
ME192467
439176
-
4.469
297.0897
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+
Pyroglutamic acid
ME192470
7405
-
1.177
129.0427
5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+
Pyroglutamic acid
ME192471
7405
-
1.179
129.0436
ABRINE (CAS# 526-31-8); (M+H)+
N(alpha)-Methyl-tryptophan
ME192473
160511
-
3.591
218.107
ACETYLCHOLINE (CAS# 51-84-3); M+
Acetylcholine
ME192474
187
-
3.929
146.1173
ADENINE (CAS# 73-24-5); (M+H)+
Adenine
ME192475
190
-
0.883
135.0547
ADENOSINE 5'-DIPHOSPHATE (CAS# 58-64-0); (M+H)+
ADP
ME192477
6022
-
0.862
427.0294
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+
AMP
ME192478
6083
-
0.911
347.0631
ADENOSINE (CAS# 58-61-7); (M+H)+
Adenosine
ME192476
60961
-
1.776
267.0955
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+
Adipic acid
ME192479
196
-
3.562
146.0587
ADPGLUCOSE (CAS# ); (M+H)+
ADP-glucose
ME192483
16500
-
0.917
589.0801
ADPGLUCOSE (CAS# ); (M+NA)+
ADP-glucose
ME192484
16500
-
0.915
589.0813
ADP-RIBOSE (CAS# ); (M+H)+
ADP-ribose
ME192480
33576
-
0.763
559.0696
ADP-RIBOSE (CAS# ); (M+H)+[-H2O]
ADP-ribose
ME192481
33576
-
1.013
559.0714
ADP-RIBOSE (CAS# ); (M+NA)+
ADP-ribose
ME192482
33576
-
0.752
559.0708
ALANINE (CAS# 56-41-7); (2M+H)+[-H2O]
Alanine
ME192485
5950
-
1.208
89.0476
ALANINE (CAS# 56-41-7); (M+H)+
Alanine
ME192486
5950
-
0.981
89.048
ALLANTOIN (CAS# 97-59-6); (M+NA)+
Allantoin
ME192487
439714
-
0.652
158.0428
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]
Allose
ME192488
439507
-
1.671
180.0623
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O]
Allose
ME192489
439507
-
1.645
180.0641
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...
Galactose 1-phosphate
ME192490
123912
-
0.701
260.0286
ANDROSTERONE (CAS# 53-41-8); (M+NA)+
Androsterone
ME192491
5879
-
19.859
290.2253
ANTHRANILATE (CAS# 118-92-3); (M+H)+
2-Aminobenzoic acid
ME192492
227
-
5.304
137.0477
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]
Vitamin C
ME192493
54670067
-
0.812
176.0329
ASPARTATE (CAS# 56-84-8); (M+H)+
Aspartic acid
ME192494
5960
-
0.794
133.0378
AZELAIC ACID (CAS# 123-99-9); (M+NA)+
Azelaic acid
ME192495
2266
-
10.785
188.1055
BETA-ALANINE (CAS# 107-95-9); (M+H)+
beta-Alanine
ME192496
239
-
0.662
89.0483
BETAINE (CAS# 107-43-7); (M+H)+
Betaine
ME192498
247
-
0.649
117.0787
BETAINE (CAS# 107-43-7); (M+NA)+
Betaine
ME192499
247
-
0.544
117.0786
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME192497
439186
-
0.734
342.1159
BILIVERDIN (CAS# 114-25-0); (M+H)+
Biliverdin
ME192500
5280353
-
18.482
582.2506
BILIVERDIN (CAS# 114-25-0); (M+NA)+
Biliverdin
ME192501
5280353
-
18.486
582.2493
BIOTIN (CAS# 58-85-5); (2M+NA)+
Biotin
ME192502
11966127
-
6.278
244.0893
BIOTIN (CAS# 58-85-5); (M+H)+
Biotin
ME192503
11966127
-
6.278
244.0889
BIOTIN (CAS# 58-85-5); (M+H)+[-H2O]
Biotin
ME192504
11966127
-
6.279
244.0903
BIOTIN (CAS# 58-85-5); (M+NA)+
Biotin
ME192505
11966127
-
6.278
244.0894
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+
Bis(2-ethylhexyl)phthalate
ME192506
8343
-
23.083
390.2779
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...
Bis(2-ethylhexyl)phthalate
ME192507
8343
-
23.082
390.2771
BIURET (CAS# 108-19-0); (M+NA)+
Biuret
ME192508
7913
-
1.089
103.0383
BOC-ALA-OH (CAS# 15761-38-3); (M+NA)+
-
ME192509
85082
-
9.51
189.1019
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME192510
46891735
-
23.2
643.5056
CAFFEINE (CAS# 58-08-2); (M+H)+
Caffeine
ME192511
2519
-
5.877
194.0808
CAFFEINE (CAS# 58-08-2); (M+NA)+
Caffeine
ME192512
2519
-
5.89
194.0811
CAPECITABINE (CAS# 154361-50-9); (M+NA)+
Capecitabine
ME192513
60953
-
13.487
359.1481
CELLOBIOSE (CAS# 528-50-7); (M+NA)+
Cellobiose
ME192514
294
-
0.734
342.1159
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]
Cholesterol
ME192515
5997
-
24.594
386.3545
CHOLINE (CAS# 62-49-7); M+
Choline
ME192516
305
-
0.629
104.1079
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+
Choline phosphate
ME192517
1014
-
0.658
183.0662
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+
Choline phosphate
ME192518
1014
-
0.603
183.066
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+
cis-Zeatin
ME192519
688597
-
3.867
219.1121
CITRAMALATE (CAS# 2306-22-1); (2M+NA)+
Citramalic acid
ME192520
441696
-
1.248
148.038
CITRAMALATE (CAS# 2306-22-1); (M+NA)+
Citramalic acid
ME192521
441696
-
1.239
148.0372
CITRATE (CAS# 77-92-9); (M+H)+[-H2O]
Citric acid
ME192522
311
-
0.778
192.0258
CITRATE (CAS# 77-92-9); (M+NA)+
Citric acid
ME192523
311
-
1.026
192.0273
CMP (CAS# 63-37-6); (M+H)+
CMP
ME192524
6131
-
0.749
323.0495
CORTICOSTERONE (CAS# 50-22-6); (M+NA)+
Corticosterone
ME192525
5753
-
15.43
346.2171
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+
Cortisol 21-acetate
ME192526
5744
-
15.997
404.2176
CORTISONE (CAS# 53-06-5); (M+H)+
Cortisone
ME192527
222786
-
13.418
360.1936
CORTISONE (CAS# 53-06-5); (M+NA)+
Cortisone
ME192528
222786
-
13.421
360.1938
CREATINE (CAS# 57-00-1); (M+H)+
Creatine
ME192529
586
-
0.661
131.0697
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+
-
ME192530
71309782
-
0.644
114.0612
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+NA)+
-
ME192531
71309782
-
0.641
114.0629
CYTIDINE 5'-DIPHOSPHATE (CAS# 63-38-7); (M+H)+
CDP
ME192533
6132
-
0.757
403.0189
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H...
CDP-choline
ME192534
13804
-
0.655
488.1057
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+K...
CDP-choline
ME192535
13804
-
0.808
488.1098
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+N...
CDP-choline
ME192536
13804
-
0.656
488.1026
CYTIDINE (CAS# 65-46-3); (M+H)+
Cytidine
ME192532
6175
-
0.862
243.085
CYTOSINE (CAS# 71-30-7); (M+H)+
Cytosine
ME192537
597
-
0.747
111.0439
CYTOSINE (CAS# 71-30-7); (M+NA)+
Cytosine
ME192538
597
-
0.72
111.0439
DAMP (CAS# 653-63-4); (M+H)+
dAMP
ME192547
12599
-
0.94
331.0668
DECANOATE (CAS# 334-48-5); (2M+NA)+
Capric acid
ME192548
2969
-
22.766
172.1451
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+
Dehydroascorbic acid
ME192549
210328
-
0.78
174.0152
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O]
Dehydroascorbic acid
ME192550
210328
-
1.027
174.0148
DEOXYADENOSINE (CAS# 16373-93-6); (M+NA)+
Deoxyadenosine
ME192551
13730
-
1.849
251.1025
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+
Deoxycholic acid
ME192552
222528
-
21.56
392.2951
DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+
Deoxycytidine
ME192553
13711
-
1.264
227.0922
DEPHOSPHO-COA (CAS# 3633-59-8); (M+2H)+2
3'-Dephospho-CoA
ME192554
444485
-
3.808
687.1482
DEPHOSPHO-COA (CAS# 3633-59-8); (M+H)+
3'-Dephospho-CoA
ME192555
444485
-
3.831
687.1442
DETHIOBIOTIN (CAS# 533-48-2); (M+NA)+
Dethiobiotin
ME192556
445027
-
8.517
214.1326
D-GALACTOSAMINE (CAS# 7535-00-4); (2M+NA)+
Galactosamine
ME192539
3034366
-
0.782
179.0799
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O]
Galactosamine
ME192540
3034366
-
0.863
179.0803
DGDP (CAS# 653-63-4); (M+H)+
dGDP
ME192557
439220
-
1.192
427.0281
D-GLUCOSAMINE 6-SULFATE (CAS# 91674-26-9); (M+H)+
Glucosamine 6-sulfate
ME192541
3330962
-
0.699
259.0345
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+K)+
Glucose 6-phosphate
ME192542
5958
-
0.681
260.0298
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+
Glucose 6-phosphate
ME192543
5958
-
0.701
260.0286
DGMP (CAS# 902-04-5); (M+H)+
dGMP
ME192558
6994968
-
1.256
347.0618
DIMETHYL MALEATE (CAS# 624-48-6); (M+NA)+
Dimethyl maleate
ME192560
5271565
-
4.811
144.0413
DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA...
Tert-butoxycarbonyl anhydride
ME192559
90495
-
5.664
218.1141
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O]
2-Amino-2-deoxy-D-mannose
ME192544
3034366
-
0.863
179.0803
D-ORNITHINE (CAS# 348-66-3); (M+H)+[-H2O]
D-Ornithine
ME192545
6262
-
0.496
132.0888
DOXYLAMINE (CAS# 469-21-6); (M+H)+
Doxylamine
ME192561
3162
-
5.858
270.1722
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]
Psicose
ME192546
90008
-
0.734
180.0631
EDTA (CAS# 60-00-4); (M+NA)+
Edetic acid
ME192562
6049
-
1.246
292.0888
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+
Elaidic acid
ME192563
637517
-
22.742
282.2564
ERUCIC ACID (CAS# 112-86-7); (M+NA)+
cis-Erucic acid
ME192564
5281116
-
23.459
338.3215
ERYTHRITOL (CAS# 149-32-6); (M+NA)+
Erythritol
ME192565
222285
-
0.648
122.0589
ESTRONE (CAS# 53-16-7); (M+H)+
Estrone
ME192566
5870
-
16.331
270.1607
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+
Ethylmalonic acid
ME192567
11756
-
2.93
132.0433
FERULATE (CAS# 1135-24-6); (M+H)+
trans-Ferulic acid
ME192568
445858
-
8.467
194.0563
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)...
FAD
ME192569
643975
-
6.424
785.1563
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+NA...
FAD
ME192570
643975
-
6.431
785.1546
FOLIC ACID (CAS# 59-30-3); (M+H)+
Folic acid
ME192571
6037
-
5.832
441.1388
FOLIC ACID (CAS# 59-30-3); (M+NA)+
Folic acid
ME192572
6037
-
5.846
441.141
FRUCTOSE (CAS# 57-48-7); (M+NA)+
Fructose
ME192573
5984
-
0.642
180.0635
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+
gamma-Butyrolactone
ME192574
7302
-
2.099
86.0369
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME192575
123938
-
0.941
250.0633
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME192576
123938
-
0.963
250.0626
GDPMANNOSE (CAS# ); (M+H)+
GDP-mannose
ME192577
18396
-
0.779
605.0715
GDPMANNOSE (CAS# ); (M+NA)+
GDP-mannose
ME192578
18396
-
0.754
605.0716
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M+NA)+
Gibberellin A3
ME192579
6466
-
8.516
346.1401
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+
Gibberellin A3
ME192580
6466
-
8.516
346.1417
GLUCOSE (CAS# 50-99-7); (2M+NA)+
Glucose
ME192581
5793
-
0.595
180.0619
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]
Glucose
ME192582
5793
-
0.734
180.0631
GLUCOSE (CAS# 50-99-7); (M+NA)+
Glucose
ME192583
5793
-
0.616
180.0635
GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+
Glucuronic acid
ME192584
94715
-
0.977
194.0433
GLUTAMATE (CAS# 56-86-0); (M+H)+
Glutamic acid
ME192585
33032
-
0.63
147.0536
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]
Glutamic acid
ME192586
33032
-
0.626
147.0535
GLUTAMINE (CAS# 56-85-9); (M+NA)+
Glutamine
ME192587
5961
-
0.608
146.0686
GLUTARATE (CAS# 110-94-1); (M+NA)+
Glutaric acid
ME192588
743
-
2.056
132.043
GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Glutathione
ME192589
124886
-
1.333
612.1519
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2
Glutathione
ME192590
124886
-
1.324
612.1565
GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O]
Glyceraldehyde
ME192591
79014
-
1.648
90.0315
GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O]
Glyceraldehyde
ME192592
79014
-
1.644
90.0324
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+
Glycochenodeoxycholic acid
ME192593
9548796
-
20.316
449.3138
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+
Glycolithocholic acid
ME192594
115245
-
21.825
433.3218
GUANINE (CAS# 73-40-5); (M+H)+
Guanine
ME192595
764
-
0.969
151.0485
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+...
-
ME192597
451
-
0.917
589.0801
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+...
-
ME192598
451
-
0.915
589.0813
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M+H)+
GMP
ME192599
6804
-
0.929
363.0582
GUANOSINE (CAS# 118-00-3); (M+H)+
Guanosine
ME192596
6802
-
1.799
283.0944
HIPPURATE (CAS# 495-69-2); (M+NA)+
Hippuric acid
ME192600
464
-
4.825
179.0584
HOMOSERINE (CAS# 672-15-1); (M+H)+
Homoserine
ME192601
12647
-
0.705
119.0593
HOMOSERINE (CAS# 672-15-1); (M+NA)+
Homoserine
ME192602
12647
-
0.628
119.0588
HYPOXANTHINE (CAS# 68-94-0); (M+H)+
Hypoxanthine
ME192603
790
-
0.927
136.0397
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+
Hypoxanthine
ME192604
790
-
0.818
136.0389
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)...
-
ME192605
10444113
-
12.858
236.1038
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+
Indoleacetaldehyde
ME192607
800
-
1.784
159.0682
INDOLE (CAS# 120-72-9); (2M+NA)+
Indole
ME192606
798
-
6.531
117.0569
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M+H)+
IMP
ME192609
8582
-
1.326
348.0437
INOSINE (CAS# 58-63-9); (M+H)+
Inosine
ME192608
6021
-
1.756
268.0828
ISOLEUCINE (CAS# 73-32-5); (M+H)+
Isoleucine
ME192610
6306
-
1.507
131.0947
ISOLEUCINE (CAS# 73-32-5); (M+NA)+
Isoleucine
ME192611
6306
-
1.595
131.0944
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+
Jasmonic acid
ME192612
5281166
-
13.187
210.1256
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+
Jasmonic acid
ME192613
5281166
-
13.188
210.1256
KYNURENINE (CAS# 343-65-7); (M+H)+
Kynurenine
ME192614
161166
-
2.198
208.0839
KYNURENINE (CAS# 343-65-7); (M+NA)+
Kynurenine
ME192615
161166
-
2.195
208.0833
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+
2-Aminobenzoic acid
ME192623
227
-
5.359
138.0454
LACTOSE (CAS# 63-42-3); (M+K)+
Lactose
ME192624
440995
-
0.73
342.1163
LACTOSE (CAS# 63-42-3); (M+NA)+
Lactose
ME192625
440995
-
0.734
342.1159
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+
Allothreonine
ME192616
99289
-
0.705
119.0593
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]
Allothreonine
ME192617
99289
-
0.629
119.0586
LANOSTEROL (CAS# 79-63-0); (M+NA)+
Lanosterol
ME192626
246983
-
23.318
426.389
LANTHIONINE (CAS# 3183-08-2); (M+H)+
Lanthionine
ME192627
102950
-
0.915
208.0513
L-ARGININE (CAS# 74-79-3); (M+NA)+
Arginine
ME192618
6322
-
0.576
174.111
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+
CAR 12:0
ME192628
168381
-
17.956
343.2706
L-CARNITINE (CAS# 541-15-1); (M+H)+
Carnitine
ME192619
10917
-
0.641
161.1051
LEUCINE (CAS# 328-39-2); (M+H)+
Leucine
ME192629
6106
-
1.606
131.0947
LEUCINE (CAS# 328-39-2); (M+NA)+
Leucine
ME192630
6106
-
1.604
131.0944
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+
LTB4
ME192631
5280492
-
20.721
336.2283
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+
LTB4
ME192632
5280492
-
20.748
336.2326
L-HISTIDINE (CAS# 71-00-1); (M+H)+
Histidine
ME192620
6274
-
0.718
155.0683
L-HISTIDINOL (CAS# 4836-52-6); (M+NA)+
L-Histidinol
ME192621
165271
-
0.854
141.0892
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+
Lithocholic acid
ME192633
9903
-
22.401
376.2944
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+
Tryptophan
ME192622
16217285
-
3.616
206.084
LUMICHROME (CAS# 1086-80-2); (M+NA)+
Lumichrome
ME192634
5326566
-
10.929
242.0818
LYSINE (CAS# 56-87-1); (M+H)+
Lysine
ME192635
5962
-
0.514
146.1049
MALATE (CAS# 636-61-3); (M+NA)+
Malic acid
ME192636
222656
-
0.778
134.0217
MALEAMATE (CAS# 557-24-4); (M+H)+
Maleamic acid
ME192637
5280451
-
0.895
115.0262
MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME192638
439186
-
0.734
342.1159
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+
Mannose 6-phosphate
ME192639
439198
-
0.701
260.0286
MELATONIN (CAS# 73-31-4); (M+NA)+
Melatonin
ME192640
896
-
8.547
232.1228
MELIBIOSE (CAS# 585-99-9); (M+K)+
Melibiose
ME192641
440658
-
0.73
342.1163
MELIBIOSE (CAS# 585-99-9); (M+NA)+
Melibiose
ME192642
440658
-
0.734
342.1159
METHIONINE (CAS# 63-68-3); (M+H)+
Methionine
ME192643
6137
-
0.994
149.0513
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...
Methyl beta-D-galactoside
ME192644
94214
-
0.909
194.0799
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+
Methyl jasmonate
ME192645
5281929
-
16.11
224.1402
METHYLMALONATE (CAS# 516-05-2); (M+NA)+
Methylmalonic acid
ME192646
487
-
1.29
118.0271
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+
Mevalonic acid
ME192647
439230
-
1.651
148.075
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+
Monomethyl glutaric acid
ME192648
73917
-
3.562
146.0587
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+
Myo-inositol
ME192649
892
-
0.616
180.0634
N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+H)+
N1-Acetylspermine
ME192683
916
-
0.729
244.2252
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (2M+NA)+
N-Acetylglucosamine
ME192650
446101
-
0.699
221.0921
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H...
N-Acetylglucosamine
ME192651
446101
-
0.816
221.0887
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+
N-Acetylglutamic acid
ME192652
185
-
1.281
189.0637
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+...
N-Acetylglutamic acid
ME192653
185
-
1.278
189.064
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...
N-Acetylglutamic acid
ME192654
185
-
1.278
189.0639
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+
N-Acetylmethionine
ME192655
448580
-
4.088
191.0616
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H...
N-Acetylmethionine
ME192656
448580
-
4.089
191.0614
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+
N-Acetylmethionine
ME192657
448580
-
4.089
191.0619
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+
N-Acetylserine
ME192658
65249
-
0.824
147.0532
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]
N-Acetylserine
ME192659
65249
-
0.831
147.0536
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+
N-Acetylserine
ME192660
65249
-
0.804
147.0542
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2...
N-Acetylgalactosamine
ME192671
35717
-
0.816
221.0887
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+
N-Acetylalanine
ME192661
88064
-
1.177
131.0576
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O]
N-Acetylalanine
ME192662
88064
-
1.701
131.0582
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+
N-Acetylalanine
ME192663
88064
-
1.472
131.0586
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+
N-Acetylaspartic acid
ME192664
65065
-
0.944
175.0481
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-...
N-Acetylaspartic acid
ME192665
65065
-
0.935
175.048
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+
N-Acetylaspartic acid
ME192666
65065
-
0.94
175.0489
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M+H)+
N-Acetylcysteine
ME192667
12035
-
3.386
324.0424
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+
N-Acetylleucine
ME192668
75619
-
7.23
173.1037
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+
N-Acetylleucine
ME192669
75619
-
7.214
173.1051
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+
N-Acetylphenylalanine
ME192670
74839
-
7.735
207.0906
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+
N-Acetylneuraminic acid
ME192672
439197
-
0.743
309.1067
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+
N-Acetylneuraminic acid
ME192673
439197
-
0.722
309.1056
NAD (CAS# 53-84-9); (M+2H)+2
NAD
ME192684
5893
-
1.022
663.1118
NAD (CAS# 53-84-9); (M+H)+
NAD
ME192685
5893
-
1.006
663.1094
NAD (CAS# 53-84-9); (M+NA)+
NAD
ME192686
5893
-
1.024
663.1081
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+H...
N-Acetylasparagine
ME192674
99715
-
0.886
174.0636
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+N...
N-Acetylasparagine
ME192675
99715
-
0.79
174.0633
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+
N(2)-Acetyllysine
ME192676
92907
-
0.893
188.1149
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+
N-Cyclohexylformamide
ME192677
13017
-
7.969
127.0992
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+
N-Cyclohexylformamide
ME192678
13017
-
7.964
127.0987
NICOTINAMIDE (CAS# 98-92-0); (M+H)+
Niacinamide
ME192687
936
-
1.125
122.0484
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+H...
Nicotinamide ribotide
ME192688
14180
-
1.033
334.0559
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+N...
Nicotinamide ribotide
ME192689
14180
-
0.677
334.0557
NICOTINE (CAS# 54-11-5); (M+H)+
Nicotine
ME192690
157672
-
1.246
162.1149
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS...
NAADP
ME192691
52942300
-
1.885
744.0543
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+
N-Methyl-D-aspartic acid
ME192679
4376
-
0.63
147.0536
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+
N-Methyl-D-aspartic acid
ME192680
4376
-
0.639
147.0541
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O...
N-Methyl-glutamic acid
ME192681
439377
-
2.029
161.0698
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+
Trigonelline
ME192682
5570
-
0.468
137.0476
NORLEUCINE (CAS# 327-57-1); (M+H)+
Norleucine
ME192692
21236
-
1.606
131.0947
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]
Normetanephrine
ME192693
688100
-
2.527
183.0895
NORVALINE (CAS# 6600-40-4); M+[-CO2H]
Norvaline
ME192695
65098
-
0.876
117.08
NORVALINE (CAS# 6600-40-4); (M+H)+
Norvaline
ME192694
65098
-
0.875
117.0794
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+
CAR 2:0
ME192696
18230
-
0.917
203.116
OLEAMIDE (CAS# 301-02-0); (M+H)+
Oleamide
ME192702
5283387
-
22.605
281.2694
OLEIC ACID (CAS# 112-80-1); (M+H)+
Oleic acid
ME192703
445639
-
22.553
282.2542
OLEIC ACID (CAS# 112-80-1); (M+NA)+
Oleic acid
ME192704
445639
-
22.532
282.2565
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+NA)+
DL-O-Phosphoserine
ME192697
106
-
0.625
185.0072
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+H)+
DL-O-Phosphoserine
ME192698
106
-
0.828
185.0082
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+NA)+
DL-O-Phosphoserine
ME192699
106
-
0.736
185.0105
O-PHOSPHOSERINE (CAS# 407-41-0); (M+H)+
DL-O-Phosphoserine
ME192700
68841
-
0.82
185.0082
O-PHOSPHOSERINE (CAS# 407-41-0); (M+NA)+
DL-O-Phosphoserine
ME192701
68841
-
0.719
185.0106
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+
Ophthalmic acid
ME192705
7018721
-
1.208
289.1273
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2
Oxidized glutathione
ME192706
65359
-
1.324
612.1565
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Oxidized glutathione
ME192707
65359
-
1.333
612.1519
PALATINOSE (CAS# 343336-76-5); (M+NA)+
Palatinose
ME192708
439559
-
0.734
342.1156
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+
CAR 16:0
ME192709
11953816
-
21.286
399.3314
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+
CAR 16:0
ME192710
11953816
-
21.287
399.3333
PANTOLACTONE (CAS# 599-04-2); (M+H)+[-H2O]
Pantolactone
ME192711
439368
-
3.293
130.0625
PANTOTHENATE (CAS# 79-83-4); (M+H)+
Pantothenic acid
ME192712
6613
-
3.294
219.1106
PANTOTHENATE (CAS# 79-83-4); (M+NA)+
Pantothenic acid
ME192713
6613
-
3.295
219.1107
PARAXANTHINE (CAS# 611-59-6); (M+NA)+
Paraxanthine
ME192714
4687
-
4.266
180.0648
PHENYL ACETATE (CAS# 122-79-2); (M+H)+
Phenyl acetate
ME192715
999
-
3.911
136.0535
PHENYLACETIC ACID (CAS# 103-82-2); (M+H)+
Phenylacetic acid
ME192716
999
-
3.911
136.0535
PHENYLALANINE (CAS# 63-91-2); (M+H)+
Phenylalanine
ME192717
6140
-
2.527
165.0789
PHENYLALANINE (CAS# 63-91-2); (M+NA)+
Phenylalanine
ME192718
6140
-
2.527
165.0789
PHOSPHOCREATINE (CAS# 67-07-2); (M+H)+
Phosphocreatine
ME192719
9548602
-
0.65
211.0362
PHTHALATE (CAS# 88-99-3); (M+NA)+
Phthalic acid
ME192720
1017
-
4.843
166.0279
PINITOL (CAS# 10284-63-6); (M+NA)+
Pinitol
ME192721
164619
-
0.909
194.0799
PIPECOLATE (CAS# 535-75-1); (M+NA)+
Pipecolic acid
ME192722
849
-
1.147
129.0782
PROLINE (CAS# 147-85-3); (M+H)+
Proline
ME192723
145742
-
0.689
115.0637
PROLINE (CAS# 147-85-3); (M+NA)+
Proline
ME192724
145742
-
0.686
115.0635
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O]
PGE2
ME192725
5280360
-
16.911
352.2246
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+
Protoporphyrin
ME192726
4971
-
22.832
562.262
PURINE (CAS# 120-73-0); (M+NA)+
Purine
ME192727
1044
-
1.57
120.0446
PYRIDOXAL (CAS# 66-72-8); (M+H)+
Pyridoxal
ME192728
1050
-
1.198
167.0566
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M+H)+
Pyridoxal 5'-phosphate
ME192729
1051
-
1.323
247.0251
PYRIDOXINE (CAS# 65-23-6); (M+H)+
Pyridoxine
ME192730
1054
-
1.142
169.0739
PYRROLE-2-CARBOXYLIC ACID (CAS# 634-97-9); (M+H)+
Pyrrole-2-carboxylic acid
ME192731
12473
-
3.302
111.0317
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...
MG 14:0
ME192732
79050
-
22.135
302.2449
RAFFINOSE (CAS# 512-69-6); (M+K)+
Raffinose
ME192733
439242
-
0.886
504.1702
RAFFINOSE (CAS# 512-69-6); (M+NA)+
Raffinose
ME192734
439242
-
0.744
504.1714
RETINOATE (CAS# 302-79-4); (M+H)+
Retinoic acid
ME192735
444795
-
20.588
300.2061
RIBITOL (CAS# 488-81-3); (M+NA)+
Ribitol
ME192736
94154
-
0.643
152.0679
RIBOFLAVIN (CAS# 83-88-5); (M+H)+
Riboflavin
ME192737
493570
-
7.611
376.1385
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+
Riboflavin
ME192738
493570
-
7.611
376.1393
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+
S-Adenosylhomocysteine
ME192739
439155
-
1.497
384.1216
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+
S-Adenosylmethionine
ME192740
34755
-
0.737
398.1371
SALICYLAMIDE (CAS# 65-45-2); (M+H)+
Salicylamide
ME192741
5147
-
5.304
137.0477
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+
Salsolinol
ME192418
7157331
-
1.492
179.0952
SARCOSINE (CAS# 107-97-1); (M+H)+
Sarcosine
ME192742
1088
-
0.662
89.0483
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M+H)+
4,5-Dihydroorotic acid
ME192419
1149667
-
0.77
158.0321
SEBACIC ACID (CAS# 111-20-6); (M+NA)+
Sebacic acid
ME192743
5192
-
13.009
202.1221
SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+
Selenocystamine
ME192744
115119
-
0.511
247.9316
SERINE (CAS# 56-45-1); (M+H)+
Serine
ME192745
617
-
0.916
105.0429
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME192746
439285
-
0.632
257.103
SORBIC ACID (CAS# 110-44-1); (M+H)+
Sorbic acid
ME192747
643460
-
3.293
112.0521
SPERMIDINE (CAS# 124-20-9); (M+H)+
Spermidine
ME192748
1102
-
0.54
145.1582
SPERMIDINE (CAS# 124-20-9); (M+NA)+
Spermidine
ME192749
1102
-
0.543
145.1572
SPERMINE (CAS# 71-44-3); (M+H)+
Spermine
ME192750
1103
-
0.533
202.2153
SPHINGANINE (CAS# 764-22-7); (M+H)+
Sphinganine
ME192751
644260
-
20.954
301.2954
SPHINGANINE (CAS# 764-22-7); (M+NA)+
Sphinganine
ME192752
644260
-
20.996
301.2952
SPHINGOSINE (CAS# 123-78-4); (M+H)+
Sphingosine
ME192753
5280335
-
20.388
299.2811
STACHYOSE (CAS# 54261-98-2); (M+K)+
Stachyose
ME192754
439531
-
0.763
666.2171
STACHYOSE (CAS# 54261-98-2); (M+NA)+
Stachyose
ME192755
439531
-
0.772
666.2187
SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O]
Suberic acid
ME192756
10457
-
8.303
174.0907
SUBERIC ACID (CAS# 505-48-6); (M+NA)+
Suberic acid
ME192757
10457
-
8.307
174.0907
SUCROSE (CAS# 57-50-1); (M+NA)+
Sucrose
ME192758
5988
-
0.734
342.1159
TAURINE (CAS# 107-35-7); (M+H)+
Taurine
ME192759
1123
-
0.734
125.0157
TAURINE (CAS# 107-35-7); (M+K)+
Taurine
ME192760
1123
-
0.658
125.0149
TAURINE (CAS# 107-35-7); (M+NA)+
Taurine
ME192761
1123
-
0.633
125.0146
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+
Taurocholic acid
ME192762
6675
-
18.181
515.2901
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O]
Taurolithocholic acid
ME192763
439763
-
22.079
483.3013
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+
Taurolithocholic acid
ME192764
439763
-
21.876
483.3048
THEOBROMINE (CAS# 83-67-0); (M+H)+
Theobromine
ME192765
5429
-
3.46
180.0661
THEOBROMINE (CAS# 83-67-0); (M+NA)+
Theobromine
ME192766
5429
-
3.51
180.0644
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+
Theophylline
ME192767
2153
-
4.275
180.0648
THIAMIN (CAS# 59-43-8); M+
Thiamine
ME192768
1130
-
0.646
265.1122
THIAMIN (CAS# 59-43-8); M+[-C6H9NOS]
Thiamine
ME192769
1130
-
0.646
265.1128
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]
Threonine
ME192770
6288
-
0.724
119.0586
THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (2M+NA...
TMP
ME192771
12803287
-
1.358
322.0542
THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M+NA)...
TMP
ME192772
12803287
-
1.728
322.0584
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+
trans-4-Hydroxyproline
ME192773
5810
-
0.622
131.0592
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+
Trimethylamine
ME192774
1146
-
0.735
59.0738
TRYPTOPHAN (CAS# 73-22-3); (M+H)+
Tryptophan
ME192775
6305
-
3.615
204.0898
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+
Tryptophan
ME192776
6305
-
3.616
204.0898
TYROSINE (CAS# 60-18-4); (M+H)+
Tyrosine
ME192777
6057
-
1.302
181.0739
TYROSINE (CAS# 60-18-4); (M+NA)+
Tyrosine
ME192778
6057
-
1.294
181.0756
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+H)+[-H2O]
UDP-N-acetylgalactosamine
ME192779
23724461
-
1.065
607.0858
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+
UDP-N-acetylgalactosamine
ME192780
23724461
-
0.784
607.0807
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+
UDP-N-acetylglucosamine
ME192781
445675
-
1.362
607.0794
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)...
UDP-N-acetylglucosamine
ME192782
445675
-
1.446
607.0774
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+
Uracil-5-carboxylic acid
ME192783
6971263
-
1.255
156.0159
URATE (CAS# 69-93-2); (M+H)+
Uric acid
ME192784
1175
-
1.017
168.0292
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+H)+
UMP
ME192787
6030
-
1.012
324.0384
URIDINE (CAS# 58-96-8); (M+H)+
Uridine
ME192785
6029
-
1.427
244.0671
URIDINE (CAS# 58-96-8); (M+NA)+
Uridine
ME192786
6029
-
1.102
244.0696
UROCANATE (CAS# 104-98-3); (M+H)+
Urocanic acid
ME192788
736715
-
0.98
138.0436
VALINE (CAS# 72-18-4); (M+H)+
Valine
ME192789
6287
-
0.875
117.0794
VALINE (CAS# 72-18-4); (M+NA)+
Valine
ME192790
6287
-
0.722
117.0784
XANTHINE (CAS# 69-89-6); (M+H)+
Xanthine
ME192791
1188
-
1.255
152.033
XANTHOSINE (CAS# 146-80-5); (M+H)+
Xanthosine
ME192792
64959
-
2.276
284.0756
XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O]
Xylose
ME192793
135191
-
1.757
150.0541
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+
trans-Zeatin
ME192794
449093
-
3.867
219.1121
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