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Return to study ST000692 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
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...
3-Methyl-2-oxovaleric acid
ME192922
47
-
4.503
130.0629
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-
Ketoleucine
ME192975
70
-
4.834
130.0629
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-
Ketoleucine
ME192976
70
-
4.817
130.0629
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-
Oxoadipic acid
ME192947
71
-
1.264
160.0368
ACETOACETATE (CAS# 541-50-4); (M-H)-
Acetoacetic acid
ME192992
96
-
2.796
102.0318
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M-H)+
DL-O-Phosphoserine
ME193248
106
-
0.597
185.0075
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)-
Ureidopropionic acid
ME192966
111
-
1.036
132.0531
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-
4-Hydroxyphenyl acetate
ME192974
127
-
4.988
152.0459
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-
4-Hydroxybenzoic acid
ME192973
135
-
4.139
138.0312
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-
5-Aminopentanoic acid
ME192984
138
-
0.811
117.0781
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)-
N-Acetylglutamic acid
ME193218
185
-
1.336
189.0635
ADENINE (CAS# 73-24-5); (M-H)-
Adenine
ME192994
190
-
0.904
135.0536
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
2-Aminobenzoic acid
ME193182
227
-
5.434
138.0442
BETA-ALANINE (CAS# 107-95-9); (M-H)-
beta-Alanine
ME193018
239
-
0.641
89.0471
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)-
Benzaldehyde
ME193017
240
-
4.984
106.042
CATECHOL (CAS# 120-80-9); (M-H)-
Pyrocatechol
ME193033
289
-
2.594
110.0369
CELLOBIOSE (CAS# 528-50-7); (M+CL)-
Cellobiose
ME193034
294
-
0.706
342.1132
CITRATE (CAS# 77-92-9); (M-H)-
Citric acid
ME193044
311
-
1.063
192.0272
SALICYLATE (CAS# 69-72-7); (M-H)-
Salicylic acid
ME193300
338
-
8.346
138.0313
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M-H)-
Ciliatine
ME192920
339
-
0.817
125.0245
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-
Caprylic acid
ME193031
379
-
10.176
144.1158
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-
Pimelic acid
ME192989
385
-
5.756
160.0728
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+CL)-
1H-Indole-3-acetamide
ME193155
397
-
5.815
174.0799
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-...
-
ME193143
451
-
0.95
589.0862
HIPPURATE (CAS# 495-69-2); (M-H)-
Hippuric acid
ME193148
464
-
4.892
179.0581
METHYLMALONATE (CAS# 516-05-2); (M-H)-
Methylmalonic acid
ME193211
487
-
1.345
118.0269
SERINE (CAS# 56-45-1); (M-H)-
Serine
ME193303
617
-
0.652
105.0424
DIACETYL (CAS# 431-03-8); (M+HCOO)-
Diacetyl
ME193089
650
-
2.083
86.0361
GLUTARATE (CAS# 110-94-1); (M-H)-
Glutaric acid
ME193131
743
-
2.088
132.042
GLYCINE (CAS# 56-40-6); (M-H)-
Glycine
ME193137
750
-
0.656
75.0322
GLYOXYLATE (CAS# 298-12-4); (M-H)-
Glyoxylic acid
ME193139
760
-
0.821
74.0005
GUANINE (CAS# 73-40-5); (M-H)-
Guanine
ME193140
764
-
0.931
151.0491
HYPOXANTHINE (CAS# 68-94-0); (M-H)-
Hypoxanthine
ME193151
790
-
1.114
136.0384
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M-H)-
Indoleacetaldehyde
ME193154
800
-
2.953
159.0672
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-
Indoleacetic acid
ME193156
802
-
8.581
175.0635
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M-H)-
Indolepyruvate
ME193157
803
-
10.548
203.0595
ITACONATE (CAS# 97-65-4); (M-H)-
Itaconic acid
ME193164
811
-
1.646
130.0273
MALONATE (CAS# 141-82-2); (M-H)-
Malonic acid
ME193199
867
-
0.939
104.0106
MALONIC ACID-D4 (CAS# 813-56-9); (M-H)-
Malonic acid
ME193200
867
-
0.904
108.0357
TARTARIC ACID (CAS# 87-69-4); (M-H)-
Tartaric acid
ME193316
875
-
0.738
150.0157
NICOTINATE (CAS# 59-67-6); (M-H)-
Nicotinic acid
ME193244
938
-
1.056
123.0316
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M-H)-
Hydroxypyruvic acid
ME192960
964
-
0.979
104.0106
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M+HCOO)-
Hydroxypyruvic acid
ME192959
964
-
0.738
104.0102
OROTATE (CAS# 65-86-1); (M-H)-
Orotic acid
ME193253
967
-
0.813
156.0159
OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O]
Oxaloacetic acid
ME193255
970
-
0.774
132.0051
OXALATE (CAS# 144-62-7); (M-H)-
Oxalic acid
ME193254
971
-
0.857
89.9948
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
4-Nitrophenol
ME192978
980
-
7.121
139.0271
PALMITATE (CAS# 57-10-3); (M-H)-
Palmitic acid
ME193262
985
-
22.899
256.2405
PHENOL (CAS# 108-95-2); (M-H)-
Phenol
ME193269
996
-
4.165
94.042
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-
Phenylpyruvic acid
ME193272
997
-
5.583
164.0467
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
Phenyl acetate
ME193270
999
-
3.862
136.0519
PHOSPHOENOLPYRUVATE (CAS# 138-08-9); (M-H)-
Phosphoenolpyruvic acid
ME193274
1005
-
1.434
167.9822
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-
Choline phosphate
ME193037
1014
-
0.779
183.0666
PICOLINIC ACID (CAS# 98-98-6); (M-H)-
Picolinic acid
ME193276
1018
-
1.057
123.0316
PURINE (CAS# 120-73-0); (M-H)-
Purine
ME193282
1044
-
1.472
120.0427
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M-H)-
Pyridoxal 5'-phosphate
ME193283
1051
-
1.437
247.0265
PYRUVATE (CAS# 127-17-3); (M-H)-
Pyruvic acid
ME193284
1060
-
0.761
88.0159
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-
N-Acetylglycine
ME193228
1097
-
0.979
117.0417
SUCCINATE (CAS# 110-15-6); (M-H)-
Succinic acid
ME193313
1110
-
1.345
118.0269
TAURINE (CAS# 107-35-7); (M-H)-
Taurine
ME193317
1123
-
0.648
125.0148
THYMINE (CAS# 65-71-4); (M-H)-
Thymine
ME193326
1135
-
1.752
126.0428
URACIL (CAS# 66-22-8); (M-H)-
Uracil
ME193343
1174
-
0.818
112.0271
URATE (CAS# 69-93-2); (M-H)-
Uric acid
ME193345
1175
-
1.012
168.0286
XANTHINE (CAS# 69-89-6); (M-H)-
Xanthine
ME193353
1188
-
1.298
152.0334
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...
3-Hydroxymethylglutaric acid
ME192956
1662
-
1.589
162.0518
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-
5-Hydroxyindoleacetic acid
ME192985
1826
-
4.142
191.0601
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M-H)-
Acetaminophen
ME192991
1983
-
3.012
151.0619
THEOPHYLLINE (CAS# 58-55-9); (M-H)-
Theophylline
ME193318
2153
-
4.441
180.0646
AZELAIC ACID (CAS# 123-99-9); (M-H)-
Azelaic acid
ME193015
2266
-
10.8
188.1049
GLYCEROL 2-PHOSPHATE (CAS# ); (2M-H)-
sn-Glycero-2-phosphate
ME193135
2526
-
0.68
172.0129
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-
sn-Glycero-2-phosphate
ME193136
2526
-
0.779
172.0136
DECANOATE (CAS# 334-48-5); (M-H)-
Capric acid
ME193074
2969
-
19.915
172.1462
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME192972
3845
-
4.968
189.0439
LAURIC ACID (CAS# 143-07-7); (M-H)-
Lauric acid
ME193186
3893
-
21.814
200.1775
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-
N-Methyl-D-aspartic acid
ME193238
4376
-
0.663
147.0522
NICOTINIC ACID MONONUCLEOTIDE (CAS# ); (M-H)-
Nicotinic acid mononucleotide
ME193245
4484
-
0.678
335.0434
PARAXANTHINE (CAS# 611-59-6); (M-H)-
Paraxanthine
ME193266
4687
-
4.454
180.0646
SEBACIC ACID (CAS# 111-20-6); (M-H)-
Sebacic acid
ME193302
5192
-
13.019
202.1208
STEARATE (CAS# 57-11-4); (M-H)-
Stearic acid
ME193311
5281
-
23.24
284.2719
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-
Corticosterone
ME193047
5753
-
15.459
346.2113
CORTISOL (CAS# 50-23-7); (M+CL)-
Cortisol
ME193048
5754
-
13.859
362.2097
CORTISOL (CAS# 50-23-7); (M+HCOO)-
Cortisol
ME193049
5754
-
13.872
362.2097
RIBOSE (CAS# 50-69-1); (M+CL)-
Ribose
ME193296
5779
-
0.716
150.0521
SORBITOL (CAS# 50-70-4); (M+CL)-
Sorbitol
ME193307
5780
-
0.875
180.0619
THYMIDINE (CAS# 50-89-5); (M+CL)-
Thymidine
ME193322
5789
-
2.775
242.0911
THYMIDINE (CAS# 50-89-5); (M-H)-
Thymidine
ME193324
5789
-
2.712
242.0896
THYMIDINE (CAS# 50-89-5); (M+HCOO)-
Thymidine
ME193323
5789
-
2.652
242.0905
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]
Glucose
ME193123
5793
-
0.702
180.0618
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O]
Glucose
ME193124
5793
-
0.665
180.0623
GLUCOSE (CAS# 50-99-7); (M+CL)-
Glucose
ME193125
5793
-
0.685
180.0632
THYROXINE (CAS# 51-48-9); (M-H)-
Thyroxine
ME193328
5819
-
16.24
776.688
ALDOSTERONE (CAS# 52-39-1); (M-H)-
Aldosterone
ME193003
5839
-
12.79
360.1924
PENICILLAMINE (CAS# 52-67-5); (2M-H)+[-H2]
Penicillamine
ME193267
5852
-
1.153
149.0507
NAD (CAS# 53-84-9); (M-H)-
NAD
ME193242
5893
-
1.04
663.1104
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-
Glucose 6-phosphate
ME193065
5958
-
0.741
260.0295
ASPARTATE (CAS# 56-84-8); (M-H)-
Aspartic acid
ME193014
5960
-
0.655
133.0371
GLUTAMINE (CAS# 56-85-9); (M-H)-
Glutamine
ME193130
5961
-
0.659
146.0682
LYSINE (CAS# 56-87-1); (M-H)-
Lysine
ME193193
5962
-
0.612
146.1058
FRUCTOSE (CAS# 57-48-7); (M+CL)-
Fructose
ME193105
5984
-
0.685
180.0632
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-
Fructose
ME193106
5984
-
0.663
180.0639
SUCROSE (CAS# 57-50-1); (M+CL)-
Sucrose
ME193314
5988
-
0.706
342.1132
SUCROSE (CAS# 57-50-1); (M+HCOO)-
Sucrose
ME193315
5988
-
0.737
342.113
INOSINE (CAS# 58-63-9); (M-H)-
Inosine
ME193158
6021
-
1.841
268.0814
URIDINE (CAS# 58-96-8); (M+CL)-
Uridine
ME193346
6029
-
1.42
244.07
URIDINE (CAS# 58-96-8); (M-H)-
Uridine
ME193347
6029
-
1.372
244.07
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-
UMP
ME193348
6030
-
0.992
324.0364
FOLIC ACID (CAS# 59-30-3); (M-H)-
Folic acid
ME193104
6037
-
5.864
441.1431
EDTA (CAS# 60-00-4); (M-H)-
Edetic acid
ME193096
6049
-
1.089
292.0911
TYROSINE (CAS# 60-18-4); (M-H)-
Tyrosine
ME193337
6057
-
1.323
181.0734
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+
AMP
ME192997
6083
-
1.037
347.0648
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-
AMP
ME192998
6083
-
1.156
347.0632
LEUCINE (CAS# 328-39-2); (M-H)-
Leucine
ME193187
6106
-
1.565
131.0945
CMP (CAS# 63-37-6); (M-H)-
CMP
ME193046
6131
-
0.953
323.0518
METHIONINE (CAS# 63-68-3); (M-H)-
Methionine
ME193208
6137
-
1.007
149.0507
PHENYLALANINE (CAS# 63-91-2); (M-H)-
Phenylalanine
ME193271
6140
-
2.521
165.0788
CYTIDINE (CAS# 65-46-3); (M-H)-
Cytidine
ME193057
6175
-
0.732
243.0868
CYTIDINE (CAS# 65-46-3); (M+HCOO)-
Cytidine
ME193056
6175
-
0.822
243.0862
MANNITOL (CAS# 69-65-8); (M+CL)-
Mannitol
ME193204
6251
-
0.94
182.0804
D-ORNITHINE (CAS# 348-66-3); (M-H)-
D-Ornithine
ME193070
6262
-
0.623
132.0893
L-ORNITHINE (CAS# 70-26-8); (M-H)-
Ornithine
ME193177
6262
-
0.623
132.0893
ASPARAGINE (CAS# 70-47-3); (M-H)-
Asparagine
ME193013
6267
-
0.879
132.0527
L-HISTIDINE (CAS# 71-00-1); (M-H)-
Histidine
ME193175
6274
-
0.638
155.0693
VALINE (CAS# 72-18-4); (M-H)-
Valine
ME193352
6287
-
0.839
117.0781
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]
Threonine
ME193319
6288
-
0.672
119.0573
TRYPTOPHAN (CAS# 73-22-3); (2M-H)-
Tryptophan
ME193335
6305
-
3.627
204.0888
TRYPTOPHAN (CAS# 73-22-3); (M-H)-
Tryptophan
ME193336
6305
-
3.627
204.0897
ISOLEUCINE (CAS# 73-32-5); (M-H)-
Isoleucine
ME193163
6306
-
1.55
131.0946
L-ARGININE (CAS# 74-79-3); (M-H)-
Arginine
ME193168
6322
-
0.641
174.1108
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-
Gibberellin A3
ME193116
6466
-
8.555
346.143
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
Gibberellin A3
ME193117
6466
-
8.56
346.1418
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-
Gibberellin A3
ME193118
6466
-
8.556
346.142
QUINATE (CAS# 77-95-2); (M-H)-
Quinic acid
ME193285
6508
-
0.663
192.0641
PROPENOATE (CAS# 79-10-7); (M-H)-
Acrylic acid
ME193279
6581
-
1.27
72.0218
PANTOTHENATE (CAS# 79-83-4); (M+CL)-
Pantothenic acid
ME193264
6613
-
3.336
219.1106
PANTOTHENATE (CAS# 79-83-4); (M-H)-
Pantothenic acid
ME193265
6613
-
3.329
219.1109
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-
4-Pyridoxic acid
ME192979
6723
-
1.926
183.0527
GUANOSINE (CAS# 118-00-3); (M+CL)-
Guanosine
ME193141
6802
-
1.552
283.0941
GUANOSINE (CAS# 118-00-3); (M-H)-
Guanosine
ME193142
6802
-
1.873
283.0908
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M-H)+
GMP
ME193144
6804
-
0.989
363.0601
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)-
GMP
ME193145
6804
-
1.091
363.0591
INOSINE 5'-DIPHOSPHATE (CAS# 86-04-4); (M-H)-
IDP
ME193160
6831
-
0.633
428.0146
INOSINE 5'-DIPHOSPHATE (CAS# 86-04-4); (M-H)+[-H2O...
IDP
ME193159
6831
-
0.596
428.0115
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-
gamma-Butyrolactone
ME193111
7302
-
2.087
86.0365
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
Pyroglutamic acid
ME192988
7405
-
1.215
129.0425
3-HYDROXYBENZOATE (CAS# 99-06-9); (M-H)-
3-Hydroxybenzoic acid
ME192957
7420
-
5.097
138.0308
PENTANOATE (CAS# 109-52-4); (M+HCOO)-
Valeric acid
ME193268
7991
-
2.237
102.0675
NONANOATE (CAS# 112-05-0); (M-H)-
Pelargonic acid
ME193246
8158
-
18.451
158.1302
BEHENIC ACID (CAS# 112-85-6); (M-H)-
Behenic acid
ME193016
8215
-
24.142
340.3326
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M-H)-
IMP
ME193161
8582
-
1.036
348.0502
SHIKIMATE (CAS# 138-59-0); (M-H)-
Shikimic acid
ME193304
8742
-
0.723
174.0542
3-METHOXYTYROSINE (CAS# 4214-13-5); (M-H)-
3-Methoxytyrosine
ME192961
9307
-
1.791
211.0856
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (2M-H...
Hydroxyphenyllactic acid
ME192952
9378
-
3.566
182.057
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...
Hydroxyphenyllactic acid
ME192953
9378
-
3.864
182.0574
CITRULLINE (CAS# 372-75-8); (M-H)-
Citrulline
ME193045
9750
-
0.678
175.0949
LITHOCHOLIC ACID (CAS# 434-13-9); (M-H)-
Lithocholic acid
ME193191
9903
-
22.397
376.2955
HOMOCYSTINE (CAS# 462-10-2); (M-H)-
Homocystine
ME193149
10010
-
0.688
268.054
OXOMALONATE (CAS# 473-90-5); (M-H)-
Mesoxalic acid
ME193258
10132
-
0.866
117.9893
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-
Glycocholic acid
ME193138
10140
-
18.943
465.3064
ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)...
Adenosine phosphosulfate
ME192999
10238
-
0.626
427.0177
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M-H)-
4-Quinolinecarboxylic acid
ME192980
10243
-
5.01
173.0468
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-
Salicyluric acid
ME193301
10253
-
6.269
195.0544
SUBERIC ACID (CAS# 505-48-6); (M-H)-
Suberic acid
ME193312
10457
-
8.32
174.0885
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
Margaric acid
ME193146
10465
-
23.03
270.2558
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-
Arachidic acid
ME193011
10467
-
23.478
312.3032
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-
Cerotic acid
ME193147
10469
-
25.756
396.3956
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
Gluconic acid
ME193121
10690
-
0.697
196.0569
L-CARNITINE (CAS# 541-15-1); (M+CL)-
Carnitine
ME193170
10917
-
0.647
161.104
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
Myristic acid
ME193212
11005
-
22.495
228.209
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-
Lignoceric acid
ME193189
11197
-
24.823
368.3649
2-HYDROXYBUTYRATE (CAS# ); (M-H)-
2-Hydroxybutyric acid
ME192944
11266
-
1.815
104.0475
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...
2-Hydroxy-4-(methylthio)butanoic acid
ME192943
11427
-
3.427
150.0358
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
Ethylmalonic acid
ME193101
11756
-
2.643
132.0412
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+CL)-
Galactitol
ME193109
11850
-
0.875
182.0776
MANDELIC ACID (CAS# 611-71-2); (M-H)-
Mandelic acid
ME193203
11914
-
5.706
152.0471
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)-
N-Acetylcysteine
ME193223
12035
-
3.556
324.0472
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
2-Methylglutaric acid
ME192945
12046
-
3.676
146.0582
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-
3-Hydroxyphenylacetic acid
ME192958
12122
-
8.022
152.0467
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-
3-Methyladipic acid
ME192962
12292
-
5.752
160.0728
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)-
Tridecylic acid
ME193334
12530
-
22.181
214.1932
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...
Dehydroepiandrosterone sulfate
ME192968
12594
-
15.653
368.1659
DAMP (CAS# 653-63-4); (M-H)-
dAMP
ME193073
12599
-
1.171
331.065
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-
Deoxycytidine
ME193082
13711
-
0.797
227.0914
DEOXYCYTIDINE (CAS# 951-77-9); (M-H)-
Deoxycytidine
ME193084
13711
-
0.682
227.0891
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-
Deoxycytidine
ME193083
13711
-
1.002
227.0886
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-
Deoxyuridine
ME193085
13712
-
1.505
228.0736
DEOXYURIDINE (CAS# 951-78-0); (M-H)-
Deoxyuridine
ME193086
13712
-
1.611
228.0748
DEOXYADENOSINE (CAS# 16373-93-6); (M-H)-
Deoxyadenosine
ME193079
13730
-
1.609
251.1006
DEOXYADENOSINE (CAS# 16373-93-6); (M+HCOO)-
Deoxyadenosine
ME193078
13730
-
2.101
251.1019
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (2M-...
CDP-choline
ME193058
13804
-
0.687
488.1042
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+C...
CDP-choline
ME193059
13804
-
0.894
488.1111
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M-H...
CDP-choline
ME193061
13804
-
0.878
488.1075
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H...
CDP-choline
ME193060
13804
-
0.883
488.1116
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...
dCMP
ME192936
13945
-
0.618
307.0565
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...
dCMP
ME192937
13945
-
1.11
307.0577
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (2M-H...
N-Benzyloxycarbonylglycine
ME193234
14349
-
8.663
209.0675
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-
1,2,3-Propanetricarboxylic acid
ME193331
14925
-
1.288
176.0323
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME193332
14925
-
1.177
176.032
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...
Cycloheptanecarboxylic acid
ME193053
15091
-
10.8
142.0995
ADPGLUCOSE (CAS# ); (M-H)-
ADP-glucose
ME193001
16500
-
0.95
589.0862
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-
Tricosylic acid
ME193333
17085
-
24.379
354.3493
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-
4-Acetamidobutanoic acid
ME192969
18189
-
1.811
145.0729
GDPMANNOSE (CAS# ); (M-H)-
GDP-mannose
ME193114
18396
-
0.688
605.0831
NORLEUCINE (CAS# 327-57-1); (M-H)-
Norleucine
ME193247
21236
-
1.566
131.0946
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-
Rhamnose
ME193178
25310
-
0.724
164.0683
L-RHAMNOSE (CAS# 10030-85-0); (M-H)-
Rhamnose
ME193180
25310
-
0.834
164.0672
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-
Rhamnose
ME193179
25310
-
0.709
164.068
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-
1-Methyladenosine
ME192925
27476
-
3.318
281.1116
1-METHYLADENOSINE (CAS# 15763-06-1); (M+HCOO)-
1-Methyladenosine
ME192926
27476
-
3.154
281.114
URSODIOL (CAS# 128-13-2); (M-H)-
Ursodeoxycholic acid
ME193351
31401
-
21.753
392.2909
URSODIOL (CAS# 128-13-2); (M+HCOO)-
Ursodeoxycholic acid
ME193350
31401
-
21.649
392.2916
GLUTAMATE (CAS# 56-86-0); (M-H)-
Glutamic acid
ME193129
33032
-
0.663
147.0522
GLUCARIC ACID (CAS# 87-73-0); (M-H)-
Glucaric acid
ME193120
33037
-
0.834
210.0356
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
Glucaric acid
ME193119
33037
-
0.774
210.0378
ADP-RIBOSE (CAS# ); (M-H)-
ADP-ribose
ME193000
33576
-
0.961
559.0741
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-
N-Acetylgalactosamine
ME193227
35717
-
0.707
221.089
ADENOSINE (CAS# 58-61-7); (M+CL)-
Adenosine
ME192995
60961
-
1.765
267.0977
ADENOSINE (CAS# 58-61-7); (M+HCOO)-
Adenosine
ME192996
60961
-
1.792
267.0969
XANTHOSINE (CAS# 146-80-5); (M-H)-
Xanthosine
ME193354
64959
-
2.325
284.0766
2'-DEOXYINOSINE (CAS# 890-38-0); (M-H)-
Deoxyinosine
ME192939
65058
-
2.131
252.0854
DUMP (CAS# 964-26-1); (M-H)-
dUMP
ME193095
65063
-
1.082
308.039
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-
N-Acetylaspartic acid
ME193222
65065
-
0.966
175.0474
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); (M-...
Cholesterol sulfate
ME193036
65076
-
23.89
466.311
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...
3-Amino-4-hydroxybenzoic acid
ME192954
65083
-
1.42
153.043
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)-
Nitrotyrosine
ME192963
65124
-
2.529
226.0581
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-
N-Acetylserine
ME193220
65249
-
0.67
147.0522
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2
Oxidized glutathione
ME193256
65359
-
1.213
612.1497
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Oxidized glutathione
ME193257
65359
-
1.427
612.1521
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-
Glucose 1-phosphate
ME193126
65533
-
0.733
260.0295
D-LYXOSE (CAS# 1114-34-7); (M+CL)-
Lyxose
ME193066
65550
-
0.712
150.0534
D-LYXOSE (CAS# 1114-34-7); (M-H)-
Lyxose
ME193068
65550
-
0.678
150.0519
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-
Lyxose
ME193067
65550
-
0.696
150.0514
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-
Arabinose
ME193062
66308
-
0.696
150.0515
3'-CMP (CAS# 63-37-6); (M-H)-
3'-CMP
ME192951
66535
-
0.953
323.0518
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-
1-Methyluric acid
ME192927
69726
-
2.239
182.0427
6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M-H)-
6-Hydroxynicotinic acid
ME192990
72924
-
1.906
139.0268
PTERIN (CAS# 2236-60-4); (M-H)-
Pterin
ME193281
73000
-
1.591
163.0498
XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M-H)-
XMP
ME193355
73323
-
1.02
364.0386
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-
N-Acetylphenylalanine
ME193226
74839
-
7.79
207.0896
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (2M-H)-
N-Acetylleucine
ME193224
75619
-
7.254
173.1049
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-
N-Acetylleucine
ME193225
75619
-
7.256
173.1052
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
Glyceraldehyde
ME193133
79014
-
1.565
90.0309
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H...
12-Hydroxy lauric acid
ME193251
79034
-
17.053
216.1719
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)...
MG 14:0
ME193286
79050
-
22.06
302.2452
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCO...
MG 14:0
ME193287
79050
-
22.04
302.2454
BOC-ASN (CAS# 7536-55-2); (M-H)-
-
ME193026
82035
-
5.4
232.1037
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME193278
83228
-
0.59
162.0993
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-
Paracetamol sulfate
ME192970
83939
-
2.505
231.0212
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...
p-Acetamidophenylglucuronide
ME193259
83944
-
2.378
327.0957
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-
Galacturonic acid
ME193110
84740
-
0.656
194.0417
BOC-ALA-OH (CAS# 15761-38-3); (M-H)-
-
ME193025
85082
-
9.478
189.0999
BOC-PRO-OH (CAS# 15761-39-4); (M-H)-
-
ME193027
85083
-
11.906
215.1151
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (2M-H)-
Dihydroxymandelic acid
ME193091
85782
-
1.022
184.0372
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)-
Dihydroxymandelic acid
ME193092
85782
-
1.032
184.0363
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (2M-H)-
3-Hydroxymandelic acid
ME193194
86957
-
2.264
168.043
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
N-Acetylalanine
ME193221
88064
-
1.489
131.0575
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)-
Methionine sulfoximine
ME193176
89034
-
0.706
180.0586
D-PSICOSE (CAS# 551-68-8); (M+CL)-
Psicose
ME193071
90008
-
0.685
180.0632
D-TAGATOSE (CAS# 87-81-0); (M+CL)-
D-Tagatose
ME193072
90008
-
0.685
180.0632
ACETOACETYL-COA (CAS# 1420-36-6); (M-H)-
Acetoacetyl-CoA
ME192993
92153
-
21.448
851.1309
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...
N6-Isopentenyladenine
ME193240
92180
-
7.928
203.1171
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...
N6-Isopentenyladenine
ME193241
92180
-
7.925
203.1169
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...
3beta-Hydroxy-5alpha-pregnan-20-one
ME192967
92787
-
21.115
318.2587
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M-H)-
N(2)-Acetyllysine
ME193231
92907
-
0.999
188.1147
ARABITOL (CAS# 7643-75-6); (M+CL)-
Arabitol
ME193009
94154
-
0.737
152.0692
ARABITOL (CAS# 7643-75-6); (M+HCOO)-
Arabitol
ME193010
94154
-
0.71
152.067
RIBITOL (CAS# 488-81-3); (M+CL)-
Ribitol
ME193291
94154
-
0.753
152.0693
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...
Methyl beta-D-galactoside
ME193209
94214
-
0.812
194.078
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCO...
Methyl beta-D-galactoside
ME193210
94214
-
0.684
194.0779
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-
Glucuronic acid
ME193127
94715
-
0.699
194.042
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-
Glucuronic acid
ME193128
94715
-
0.656
194.0423
BOC-SER-OH (CAS# 3262-72-4); (M-H)-
-
ME193028
98766
-
7.02
205.0941
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M-H...
N-Acetylasparagine
ME193230
99715
-
0.798
174.0634
LANTHIONINE (CAS# 3183-08-2); (M-H)-
Lanthionine
ME193185
102950
-
0.74
208.0523
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-
24-epi-Brassinolide
ME193098
115196
-
19.88
480.3453
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...
24-epi-Brassinolide
ME193099
115196
-
19.88
480.346
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...
Galactose 1-phosphate
ME193006
123912
-
0.725
260.0295
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)...
gamma-Glutamylcysteine
ME193112
123938
-
0.869
250.0611
GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Glutathione
ME193132
124886
-
1.427
612.1521
AHBA (CAS# 76045-71-1); (M-H)-
3-Amino-5-hydroxybenzoic acid
ME193002
127115
-
1.42
153.043
XYLOSE (CAS# 58-86-6); (M+HCOO)-
Xylose
ME193356
135191
-
0.696
150.0515
L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O]
Gulonic acid
ME193172
152304
-
0.742
196.0573
L-GULONATE (CAS# 6322-07-2); (M-H)-
Gulonic acid
ME193174
152304
-
0.697
196.0569
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]
Gulonic acid
ME193173
152304
-
0.756
196.0566
KYNURENINE (CAS# 343-65-7); (M-H)-
Kynurenine
ME193167
161166
-
2.234
208.0847
PINITOL (CAS# 10284-63-6); (M+CL)-
Pinitol
ME193277
164619
-
0.812
194.078
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)-
Deoxyguanosine
ME192938
187790
-
1.779
267.0988
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-
Dehydroascorbic acid
ME193075
210328
-
0.78
174.0154
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
Dehydroascorbic acid
ME193077
210328
-
0.817
174.0162
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-
Dehydroascorbic acid
ME193076
210328
-
0.858
174.0176
CHOLATE (CAS# 81-25-4); (M-H)-
Cholic acid
ME193035
221493
-
20.412
408.2839
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)-
Deoxycholic acid
ME193080
222528
-
21.69
392.2938
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-
Deoxycholic acid
ME193081
222528
-
21.753
392.2909
MALATE (CAS# 97-67-6); (M-H)-
Malic acid
ME193196
222656
-
0.844
134.0217
MALATE (CAS# 97-67-6); (M-H)+[-H2O]
Malic acid
ME193195
222656
-
0.821
134.0223
CORTISONE (CAS# 53-06-5); (M+CL)-
Cortisone
ME193050
222786
-
13.449
360.1933
CORTISONE (CAS# 53-06-5); (M+HCOO)-
Cortisone
ME193051
222786
-
13.385
360.1939
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)-
S-Adenosylhomocysteine
ME193298
439155
-
1.371
384.1226
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-
S-Adenosylhomocysteine
ME193299
439155
-
1.418
384.1237
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)-
Ribose 5-phosphate
ME193297
439167
-
0.705
230.0185
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
5'-Methylthioadenosine
ME192983
439176
-
4.351
297.0905
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-
5'-Deoxyadenosine
ME192981
439182
-
2.728
251.1005
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M-H)-[-H2O]
5'-Deoxyadenosine
ME192982
439182
-
2.401
251.102
3-PHOSPHOGLYCERATE (CAS# ); (M-H)-
3-Phosphoglyceric acid
ME192965
439183
-
0.836
185.9931
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]
Maltose
ME193019
439186
-
0.766
342.1134
BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O]
Maltose
ME193020
439186
-
0.584
342.1132
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME193021
439186
-
0.706
342.1132
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME193022
439186
-
0.737
342.113
MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME193201
439186
-
0.705
342.1132
MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME193202
439186
-
0.726
342.113
GLYCERATE (CAS# 473-81-4); (M-H)-
Glyceric acid
ME193134
439194
-
0.821
106.0259
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
N-Acetylneuraminic acid
ME193229
439197
-
0.61
309.1057
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-
Mannose 6-phosphate
ME193205
439198
-
0.736
260.0295
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M-H)-
Glucosamine 6-phosphate
ME193122
439217
-
0.701
259.0452
DGDP (CAS# 653-63-4); (M-H)-
dGDP
ME193087
439220
-
1.132
427.0262
CARNOSINE (CAS# 305-84-0); (M-H)-
Carnosine
ME193032
439224
-
0.6
226.1052
RAFFINOSE (CAS# 512-69-6); (M+CL)-
Raffinose
ME193288
439242
-
0.713
504.1649
RAFFINOSE (CAS# 512-69-6); (M+HCOO)-
Raffinose
ME193289
439242
-
0.758
504.1662
CYSTATHIONINE (CAS# 56-88-2); (M-H)-
Cystathionine
ME193054
439258
-
0.769
222.0689
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-
2-Deoxy-glucose
ME192940
439268
-
0.724
164.0683
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-
2-Deoxy-glucose
ME192941
439268
-
0.737
164.068
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-
5-Hydroxy-tryptophan
ME192986
439280
-
1.857
220.0828
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME193305
439285
-
0.732
257.1037
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME193306
439285
-
0.73
257.1016
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)-
o-Succinylhomoserine
ME193249
439406
-
1.165
219.0722
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
Allose
ME193005
439507
-
1.606
180.0635
STACHYOSE (CAS# 54261-98-2); (M+CL)-
Stachyose
ME193308
439531
-
0.755
666.219
STACHYOSE (CAS# 54261-98-2); (M-H)-
Stachyose
ME193310
439531
-
0.605
666.2189
STACHYOSE (CAS# 54261-98-2); (M+HCOO)-
Stachyose
ME193309
439531
-
0.652
666.2273
PALATINOSE (CAS# 343336-76-5); (M+CL)-
Palatinose
ME193260
439559
-
0.706
342.1132
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-
Palatinose
ME193261
439559
-
0.737
342.113
3-OXALOMALATE (CAS# 89304-26-7); (M-H)-[-H2O]
3-Oxalomalic acid
ME192964
439620
-
0.828
206.008
ALLANTOIN (CAS# 97-59-6); (M-H)-
Allantoin
ME193004
439714
-
0.67
158.0437
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M-H)-
3-Dehydroshikimate
ME192955
439774
-
0.943
172.0369
L-FUCOSE 1-PHOSPHATE (CAS# 16562-58-6); (2M-H)-
Fucose 1-phosphate
ME193171
439871
-
0.641
244.0336
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-
N-Acetyl-D-tryptophan
ME193217
439917
-
8.013
246.0999
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)-
Guanidinosuccinic acid
ME193233
439918
-
0.914
175.061
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)+[-H...
Guanidinosuccinic acid
ME193232
439918
-
0.831
175.061
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME192921
440473
-
0.864
198.0651
MELIBIOSE (CAS# 585-99-9); (M+CL)-
Melibiose
ME193206
440658
-
0.705
342.1132
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-
Melibiose
ME193207
440658
-
0.737
342.113
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-
11-Deoxycortisol
ME192930
440707
-
15.459
346.2113
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H...
2-Hydroxyisobutyric acid
ME193007
440873
-
1.814
104.0475
LACTOSE (CAS# 63-42-3); (M+CL)-
Lactose
ME193183
440995
-
0.705
342.1132
LACTOSE (CAS# 63-42-3); (M-H)-
Lactose
ME193184
440995
-
0.685
342.1138
INDICAN (CAS# 487-60-5); (2M+CL)-[-H2O]
Indican
ME193153
441564
-
0.871
295.1046
CITRAMALATE (CAS# 2306-22-1); (M-H)-
Citramalic acid
ME193043
441696
-
1.438
148.0369
DTDPGLUCOSE (CAS# ); (M-H)-
dTDP-glucose
ME193094
443210
-
2.223
564.0801
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
trans-Aconitic acid
ME193329
444212
-
1.285
174.0164
MALEIC ACID (CAS# 110-16-7); (M-H)-
Maleic acid
ME193198
444266
-
0.995
116.0111
RETINOATE (CAS# 302-79-4); (M-H)-
Retinoic acid
ME193290
444795
-
22.335
300.2115
ARACHIDONATE (CAS# 506-32-1); (M-H)-
Arachidonic acid
ME193012
444899
-
22.763
304.241
FUMARATE (CAS# 110-17-8); (M-H)-
Fumaric acid
ME193107
444972
-
1.214
116.0111
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-
Docosahexaenoic acid
ME193093
445580
-
22.738
328.2413
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
Palmitoleic acid
ME193263
445638
-
22.639
254.2249
OLEIC ACID (CAS# 112-80-1); (M-H)-
Oleic acid
ME193250
445639
-
22.98
282.2565
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)-
UDP-N-acetylglucosamine
ME193342
445675
-
1.346
607.0865
FERULATE (CAS# 1135-24-6); (M-H)-
trans-Ferulic acid
ME193102
445858
-
8.138
194.0563
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-
N-Acetylglucosamine
ME193214
446101
-
0.707
221.089
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+HCOO)-
N-Acetylglucosamine
ME193215
446101
-
0.664
221.0903
GERANYLGERANYL DIPHOSPHATE (CAS# 6699-20-3); (M-H)...
Geranylgeranyl diphosphate
ME193115
447277
-
23.209
450.1908
DIETHYLSTILBESTROL (CAS# 56-53-1); (M-H)-
Diethylstilbestrol
ME193090
448537
-
18.755
268.1447
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
N-Acetylmethionine
ME193219
448580
-
4.132
191.0612
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-
trans-Zeatin
ME193357
449093
-
3.931
219.1123
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-
trans-Zeatin
ME193358
449093
-
3.93
219.1122
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-
LPC 16:0
ME192931
460602
-
22.246
495.3311
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
LPC 16:0
ME192932
460602
-
22.232
495.3334
RIBOFLAVIN (CAS# 83-88-5); (2M-H)-
Riboflavin
ME193292
493570
-
7.659
376.1391
RIBOFLAVIN (CAS# 83-88-5); (M+CL)-
Riboflavin
ME193293
493570
-
7.666
376.1401
RIBOFLAVIN (CAS# 83-88-5); (M-H)-
Riboflavin
ME193295
493570
-
7.656
376.1403
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-
Riboflavin
ME193294
493570
-
7.656
376.1404
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
Elaidic acid
ME193097
637517
-
22.98
282.2565
4-COUMARATE (CAS# 501-98-4); (M-H)-
cis-p-Coumaric acid
ME192971
637542
-
6.986
164.0471
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...
Thyrotropin releasing hormone
ME193327
638678
-
1.435
362.1668
CIS-ACONITATE (CAS# 585-84-2); (M-H)-
cis-Aconitic acid
ME193039
643757
-
1.351
174.0164
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-
Citraconic acid
ME192946
643798
-
1.972
130.027
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)...
FAD
ME193103
643975
-
6.092
785.1581
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
cis-Zeatin
ME193041
688597
-
3.93
219.1123
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
cis-Zeatin
ME193042
688597
-
3.93
219.1122
UROCANATE (CAS# 104-98-3); (M-H)-
Urocanic acid
ME193349
736715
-
0.832
138.042
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME192942
853180
-
3.559
118.0627
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-
4,5-Dihydroorotic acid
ME192923
1149667
-
0.813
158.0324
D-GALACTOSAMINE (CAS# 7535-00-4); (M+HCOO)-
Galactosamine
ME193063
3034366
-
0.675
179.0792
D-MANNOSAMINE (CAS# 14307-02-9); (M+HCOO)-
2-Amino-2-deoxy-D-mannose
ME193069
3034366
-
0.675
179.0792
GALACTARATE (CAS# 526-99-8); (M-H)-
Galactaric acid
ME193108
3037582
-
0.82
210.0356
D-GLUCOSAMINE 6-SULFATE (CAS# 91674-26-9); (M-H)-
Glucosamine 6-sulfate
ME193064
3330962
-
0.694
259.038
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)-
PGE2
ME193280
5280360
-
16.807
352.2224
LINOLEATE (CAS# 60-33-3); (M-H)-
Linoleic acid
ME193190
5280450
-
22.774
280.2407
MALEAMATE (CAS# 557-24-4); (M-H)-
Maleamate
ME193197
5280451
-
0.653
115.0267
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-
LTB4
ME193188
5280492
-
20.488
336.229
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
gamma-Linolenic acid
ME193113
5280933
-
22.902
278.2226
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
alpha-Linolenic acid
ME193008
5280934
-
22.902
278.2226
ERUCIC ACID (CAS# 112-86-7); (M-H)-
cis-Erucic acid
ME193100
5281116
-
23.735
338.3184
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-
Myristoleic acid
ME193213
5281119
-
22.055
226.193
NERVONIC ACID (CAS# 506-37-6); (M-H)-
Nervonic acid
ME193243
5281120
-
24.234
366.3497
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
trans-Vaccenic acid
ME193330
5281127
-
22.98
282.2565
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-
Jasmonic acid
ME193165
5281166
-
13.219
210.1251
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-
Jasmonic acid
ME193166
5281166
-
13.219
210.1261
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
cis-Vaccenic acid
ME193040
5282761
-
22.98
282.2565
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-
cis-Gondoic acid
ME193038
5282768
-
23.325
310.2873
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-
TXB2
ME193320
5283137
-
16.795
370.2338
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]
TXB2
ME193321
5283137
-
16.988
370.232
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-
MG 18:1
ME192928
5283468
-
22.656
356.2921
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
Hyodeoxycholic acid
ME193150
5283820
-
22.909
392.2956
ISOCITRATE (CAS# 320-77-4); (M-H)-
Isocitric acid
ME193162
5318532
-
0.78
192.0261
LUMICHROME (CAS# 1086-80-2); (M-H)-
Lumichrome
ME193192
5326566
-
10.976
242.0807
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...
1-Aminocyclopropanecarboxylic acid
ME192924
5460234
-
0.829
101.048
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)-
N-Oleoyl glycine
ME193239
6436908
-
22.568
339.276
CYSTINE (CAS# 56-89-3); (M-H)-
Cystine
ME193055
6857538
-
0.674
240.0224
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)-
Uracil-5-carboxylic acid
ME193344
6971263
-
0.951
156.016
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-
10-Hydroxydecanoic acid
ME192929
6991989
-
13.628
188.141
DGMP (CAS# 902-04-5); (M-H)-
dGMP
ME193088
6994968
-
1.155
347.0632
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-
Ophthalmic acid
ME193252
7018721
-
1.207
289.1276
(-)-SALSOLINOL (CAS# 27740-96-1); (M+CL)-
Salsolinol
ME192919
7157331
-
1.621
179.0936
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
LPE 18:0
ME192935
9547068
-
22.646
481.3195
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)-
Phosphocreatine
ME193273
9548602
-
0.921
211.0345
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-
5-Methyl-THF
ME192987
9825434
-
3.692
459.1909
PHYTANATE (CAS# 14721-66-5); (M-H)-
Phytanic acid
ME193275
10380830
-
23.32
312.3018
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)...
-
ME193152
10444113
-
13.068
236.1049
BIOTIN (CAS# 58-85-5); (M-H)-
Biotin
ME193023
11966127
-
6.321
244.0882
THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M-H)-
TMP
ME193325
12803287
-
1.709
322.0595
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+CL)-
Glucosamine
ME193235
13998612
-
3.492
279.1332
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M-H)-
Glucosamine
ME193237
13998612
-
3.389
279.1295
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+HCOO)-
Glucosamine
ME193236
13998612
-
4.094
279.1312
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
Tryptophan
ME193181
16217285
-
3.669
206.0838
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...
-
ME193169
16217579
-
0.629
176.107
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-
PC 16:0_18:0
ME192933
18631368
-
25.648
761.5926
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-
PC 16:0_18:0
ME192934
18631368
-
25.629
761.5945
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)-
UDP-N-acetylgalactosamine
ME193341
23724461
-
0.815
607.0788
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)+[-H2O]
UDP-N-acetylgalactosamine
ME193340
23724461
-
0.664
607.0773
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-
LPC 20:0
ME192948
24779473
-
22.717
551.3951
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-
LPC 20:0
ME192949
24779473
-
22.947
551.3951
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)-
UDP-galactose
ME193338
44134987
-
1.383
566.0605
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-
SM 18:1;O2/24:0
ME192950
44260127
-
28.013
814.6932
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME193029
46891735
-
23.318
643.5039
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME193030
46891735
-
23.061
643.5031
UDP-GLUCOSE (CAS# 133-89-1); (M-H)-
UDP-glucose
ME193339
53477679
-
1.383
566.0605
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-
N-Acetyl-mannosamine
ME193216
53477792
-
0.707
221.089
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+CL)-
-
ME193052
71309782
-
0.712
114.0628
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)...
Bis-gamma-glutamylcystine
ME193024
90657696
-
0.879
498.1087
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-
4-Nitrobenzoic acid
ME192977
101532566
-
8.553
167.0219
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-OXOBUTANOATE (CAS# 600-18-0); (M+H)+
3-Methyl pyruvic acid
ME193398
58
-
0.699
102.0327
3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+
3-Hydroxyanthranilic acid
ME193409
86
-
2.965
153.0417
ACETOACETATE (CAS# 541-50-4); (M+NA)+
Acetoacetic acid
ME193453
96
-
2.527
102.0318
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+
DL-O-Phosphoserine
ME193789
106
-
0.737
185.0074
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+NA)+
DL-O-Phosphoserine
ME193790
106
-
1.003
185.0093
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+H)+
DL-O-Phosphoserine
ME193791
106
-
0.644
185.0103
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+NA)+
DL-O-Phosphoserine
ME193792
106
-
0.637
185.0098
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+
Ureidopropionic acid
ME193420
111
-
1.018
132.054
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+[-H2...
Ureidopropionic acid
ME193421
111
-
0.773
132.0536
4-AMINOBUTANOATE (CAS# 56-12-2); (M+H)+
gamma-Aminobutyric acid
ME193426
119
-
0.844
103.0632
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M+H)+
4-Hydroxybenzaldehyde
ME193432
126
-
4.972
122.0377
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+
5-Amino-levulinic acid
ME193437
137
-
0.791
131.0587
5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+
5-Amino-levulinic acid
ME193438
137
-
0.632
131.059
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+
5-Aminopentanoic acid
ME193439
138
-
0.588
117.0789
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+
N-Acetylglutamic acid
ME193730
185
-
1.327
189.0655
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+...
N-Acetylglutamic acid
ME193731
185
-
1.337
189.0642
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...
N-Acetylglutamic acid
ME193732
185
-
1.524
189.0623
ACETYLCHOLINE (CAS# 51-84-3); M+
Acetylcholine
ME193455
187
-
3.895
146.1176
ADENINE (CAS# 73-24-5); (M+H)+
Adenine
ME193456
190
-
0.872
135.0555
ADIPIC ACID (CAS# 124-04-9 ); (M+H)+
Adipic acid
ME193462
196
-
3.6
146.0566
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+
Adipic acid
ME193463
196
-
3.57
146.059
AGMATINE (CAS# 2482-00-0); (M+H)+
Agmatine
ME193469
199
-
0.568
130.1207
ANTHRANILATE (CAS# 118-92-3); (M+H)+
2-Aminobenzoic acid
ME193477
227
-
5.134
137.0478
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+
2-Aminobenzoic acid
ME193679
227
-
5.381
138.0457
BETA-ALANINE (CAS# 107-95-9); (M+H)+
beta-Alanine
ME193488
239
-
0.676
89.0478
BENZOATE (CAS# 65-85-0); (M+H)+
Benzoic acid
ME193487
243
-
4.972
122.0377
BETAINE (CAS# 107-43-7); (M+H)+
Betaine
ME193493
247
-
0.49
117.0789
BETAINE (CAS# 107-43-7); (M+NA)+
Betaine
ME193494
247
-
0.665
117.0783
CADAVERINE (CAS# 462-94-2); (M+NA)+
Cadaverine
ME193505
273
-
0.578
102.1151
CATECHOL (CAS# 120-80-9); (M+H)+
Pyrocatechol
ME193511
289
-
2.677
110.0378
CELLOBIOSE (CAS# 528-50-7); (M+NA)+
Cellobiose
ME193512
294
-
0.677
342.1182
CHOLINE (CAS# 62-49-7); M+
Choline
ME193516
305
-
0.642
104.1076
CITRATE (CAS# 77-92-9); (M+H)+[-H2O]
Citric acid
ME193523
311
-
1.056
192.0262
CITRATE (CAS# 77-92-9); (M+NA)+
Citric acid
ME193524
311
-
1.026
192.0277
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+
Pimelic acid
ME193450
385
-
5.716
160.0745
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+...
-
ME193634
451
-
1.224
589.087
1-METHYLNICOTINAMIDE (CAS# ); M+
1-Methyl nicotinamide
ME193368
457
-
0.836
137.0724
HIPPURATE (CAS# 495-69-2); (M+H)+
Hippuric acid
ME193638
464
-
4.853
179.0598
HIPPURATE (CAS# 495-69-2); (M+NA)+
Hippuric acid
ME193639
464
-
4.862
179.0596
METHYLMALONATE (CAS# 516-05-2); (M+NA)+
Methylmalonic acid
ME193716
487
-
1.332
118.0275
CREATINE (CAS# 57-00-1); (M+H)+
Creatine
ME193528
586
-
0.686
131.0701
CREATININE (CAS# 60-27-5); (M+H)+
Creatinine
ME193529
588
-
0.756
113.06
CYTOSINE (CAS# 71-30-7); (M+H)+
Cytosine
ME193542
597
-
0.806
111.0438
CYTOSINE (CAS# 71-30-7); (M+NA)+
Cytosine
ME193543
597
-
0.844
111.0436
SERINE (CAS# 56-45-1); (M+H)+
Serine
ME193860
617
-
1.002
105.0432
GLYCINE (CAS# 56-40-6); (M+H)+
Glycine
ME193621
750
-
0.687
75.0324
GUANINE (CAS# 73-40-5); (2M+H)+
Guanine
ME193628
764
-
0.662
151.05
GUANINE (CAS# 73-40-5); (2M+NA)+
Guanine
ME193629
764
-
0.899
151.0501
GUANINE (CAS# 73-40-5); (M+H)+
Guanine
ME193630
764
-
0.919
151.0503
GUANINE (CAS# 73-40-5); (M+NA)+
Guanine
ME193631
764
-
0.824
151.0498
HISTAMINE (CAS# 51-45-6); (M+H)+
Histamine
ME193640
774
-
0.634
111.0791
HOMOGENTISATE (CAS# 451-13-8); (M+NA)+
Homogentisic acid
ME193642
780
-
2.089
168.0436
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+
Hypoxanthine
ME193647
790
-
0.885
136.0386
INDOLE (CAS# 120-72-9); (2M+NA)+
Indole
ME193650
798
-
6.518
117.058
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+
Indoleacetaldehyde
ME193651
800
-
7.515
159.0697
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+
Indoleacetic acid
ME193652
802
-
8.386
175.0635
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M+NA)+
Indolepyruvate
ME193655
803
-
10.548
203.0597
PIPECOLATE (CAS# 535-75-1); (M+H)+
Pipecolic acid
ME193822
849
-
0.634
129.0788
PIPECOLATE (CAS# 535-75-1); (M+NA)+
Pipecolic acid
ME193823
849
-
0.777
129.0781
LIPOAMIDE (CAS# 940-69-2); (M+NA)+
Lipoamide
ME193692
863
-
10.27
205.0613
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+
Myo-inositol
ME193720
892
-
0.648
180.065
MELATONIN (CAS# 73-31-4); (M+H)+
Melatonin
ME193710
896
-
8.989
232.12
N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+H)+
N-Acetylserotonin
ME193753
903
-
4.676
218.1034
N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+NA)+
N-Acetylserotonin
ME193754
903
-
5.002
218.1037
NICOTINAMIDE (CAS# 98-92-0); (M+H)+
Niacinamide
ME193775
936
-
1.184
122.0489
NORADRENALINE (CAS# 51-41-2); (M+H)+
Xi-Norepinephrine
ME193781
951
-
0.899
169.075
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]
Xi-Norepinephrine
ME193782
951
-
0.823
169.0724
OROTATE (CAS# 65-86-1); (M+H)+
Orotic acid
ME193801
967
-
1.001
156.0173
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+
p-Aminobenzoic acid
ME193425
978
-
2.798
137.0479
PHENYL ACETATE (CAS# 122-79-2); (M+H)+
Phenyl acetate
ME193811
999
-
3.902
136.0521
PHENYLACETIC ACID (CAS# 103-82-2); (M+H)+
Phenylacetic acid
ME193812
999
-
3.902
136.0521
PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+
2-Hydroxyphenethylamine
ME193816
1000
-
1.501
137.0838
PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+[-H2O]
2-Hydroxyphenethylamine
ME193817
1000
-
2.108
137.0832
PHENETHYLAMINE (CAS# 64-04-0); (M+H)+
Phenylethylamine
ME193810
1001
-
2.857
121.0898
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+
Choline phosphate
ME193517
1014
-
0.81
183.0677
PHTHALATE (CAS# 88-99-3); (M+H)+
Phthalic acid
ME193819
1017
-
4.924
166.0262
PHTHALATE (CAS# 88-99-3); (M+NA)+
Phthalic acid
ME193820
1017
-
4.929
166.0278
PUTRESCINE (CAS# 110-60-1); (M+H)+
Putrescine
ME193835
1045
-
0.514
88.1002
PUTRESCINE (CAS# 110-60-1); (M+NA)+
Putrescine
ME193836
1045
-
0.566
88.0993
PYRIDOXAL (CAS# 66-72-8); (M+H)+
Pyridoxal
ME193837
1050
-
1.162
167.0571
PYRIDOXAMINE (CAS# 85-87-0); (M+H)+
Pyridoxamine
ME193838
1052
-
0.679
168.0882
PYRIDOXINE (CAS# 65-23-6); (M+H)+
Pyridoxine
ME193839
1054
-
1.12
169.075
SARCOSINE (CAS# 107-97-1); (M+H)+
Sarcosine
ME193858
1088
-
0.676
89.0478
SPERMIDINE (CAS# 124-20-9); (M+H)+
Spermidine
ME193863
1102
-
0.521
145.1578
SPERMIDINE (CAS# 124-20-9); (M+NA)+
Spermidine
ME193864
1102
-
0.574
145.1578
SPERMINE (CAS# 71-44-3); (M+H)+
Spermine
ME193865
1103
-
0.572
202.2147
TAURINE (CAS# 107-35-7); (M+K)+
Taurine
ME193874
1123
-
0.362
125.0138
THIAMIN (CAS# 59-43-8); M+
Thiamine
ME193883
1130
-
0.662
265.1131
THIAMIN (CAS# 59-43-8); M+[-C6H9NOS]
Thiamine
ME193884
1130
-
0.674
265.1113
THYMINE (CAS# 65-71-4); (M+H)+
Thymine
ME193890
1135
-
1.755
126.0422
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+
Trimethylamine
ME193898
1146
-
0.688
59.0739
TRYPTAMINE (CAS# 61-54-1); (M+H)+
Tryptamine
ME193899
1150
-
3.769
160.1007
XANTHINE (CAS# 69-89-6); (M+H)+
Xanthine
ME193918
1188
-
1.279
152.0348
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...
3-Hydroxymethylglutaric acid
ME193408
1662
-
1.889
162.054
3-METHOXYTYRAMINE (CAS# ); (M+H)+
3-Methoxytyramine
ME193410
1669
-
1.992
167.0938
3-METHYLADENINE (CAS# 5142-23-4); (M+H)+
3-Methyladenine
ME193416
1673
-
0.738
149.0708
3-METHYLADENINE (CAS# 5142-23-4); (M+NA)+
3-Methyladenine
ME193417
1673
-
0.632
149.069
HOMOVANILLATE (CAS# 306-08-1); (M+H)+
Homovanillic acid
ME193645
1738
-
5.713
182.0585
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+
5-Hydroxyindoleacetic acid
ME193441
1826
-
4.114
191.059
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+
Theophylline
ME193882
2153
-
4.499
180.0656
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O]
Azelaic acid
ME193485
2266
-
10.755
188.1037
AZELAIC ACID (CAS# 123-99-9); (M+NA)+
Azelaic acid
ME193486
2266
-
10.743
188.1063
CAFFEINE (CAS# 58-08-2); (M+NA)+
Caffeine
ME193507
2519
-
5.874
194.0807
DEBRISOQUIN (CAS# 581-88-4); (M+H)+
Debrisoquine
ME193563
2966
-
5.401
175.1108
DECANOATE (CAS# 334-48-5); (2M+NA)+
Capric acid
ME193564
2969
-
22.75
172.1478
DIPHENHYDRAMINE (CAS# 147-24-0); (M+H)+
Diphenhydramine
ME193582
3100
-
10.846
255.1643
DOXYLAMINE (CAS# 469-21-6); (M+H)+
Doxylamine
ME193583
3162
-
6.112
270.1722
GUAIFENESIN (CAS# 93-14-1); (M+H)+
Guaifenesin
ME193627
3516
-
7.976
198.0899
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME193429
3845
-
5.057
189.0437
N-ETHYLMALEIMIDE (CAS# 128-53-0); (M+H)+
N-Ethylmaleimide
ME193760
4362
-
3.551
125.0486
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+
N-Methyl-D-aspartic acid
ME193761
4376
-
0.709
147.0529
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+
N-Methyl-D-aspartic acid
ME193762
4376
-
0.642
147.0523
1-(4-HYDROXYPHENYL)-2-AMINOETHANOL (CAS# 104-14-3)...
-
ME193364
4581
-
0.859
153.0779
PARAXANTHINE (CAS# 611-59-6); (M+NA)+
Paraxanthine
ME193809
4687
-
4.499
180.0656
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+
Protoporphyrin
ME193833
4971
-
22.859
562.2614
SEROTONIN (CAS# 50-67-9); (M+H)+
Serotonin
ME193861
5202
-
1.742
176.0963
THEOBROMINE (CAS# 83-67-0); (M+NA)+
Theobromine
ME193881
5429
-
3.609
180.0649
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+
Trigonelline
ME193764
5570
-
0.726
137.0465
TYRAMINE (CAS# 51-67-2); (M+H)+
Tyramine
ME193902
5610
-
1.37
137.0851
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+
Xanthurenic acid
ME193922
5699
-
4.64
205.0373
CORTISOL (CAS# 50-23-7); (M+NA)+
Cortisol
ME193527
5754
-
13.826
362.2102
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+
beta-Estradiol
ME193588
5757
-
16.372
272.1759
RIBOSE (CAS# 50-69-1); (M+NA)+
Ribose
ME193852
5779
-
0.74
150.0536
THYMIDINE (CAS# 50-89-5); (M+H)+
Thymidine
ME193889
5789
-
2.455
242.0924
GLUCOSE (CAS# 50-99-7); (2M+NA)+
Glucose
ME193611
5793
-
0.657
180.0619
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]
Glucose
ME193612
5793
-
0.691
180.0646
GLUCOSE (CAS# 50-99-7); (M+NA)+
Glucose
ME193613
5793
-
0.648
180.065
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+
trans-4-Hydroxyproline
ME193895
5810
-
0.847
131.0587
EPINEPHRINE (CAS# 51-43-4); (M+H)+
Epinephrine
ME193586
5816
-
0.657
183.0909
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O]
Epinephrine
ME193587
5816
-
0.674
183.089
THYROXINE (CAS# 51-48-9); (M+H)+
Thyroxine
ME193893
5819
-
16.18
776.6864
ANDROSTERONE (CAS# 53-41-8); (M+NA)+
Androsterone
ME193476
5879
-
19.785
290.223
NAD (CAS# 53-84-9); (M+2H)+2
NAD
ME193770
5893
-
1.05
663.113
NAD (CAS# 53-84-9); (M+H)+
NAD
ME193771
5893
-
1.029
663.1129
NAD (CAS# 53-84-9); (M+NA)+
NAD
ME193772
5893
-
1.029
663.1144
TRIIODOTHYRONINE (CAS# 6893-02-3); (M+H)+
Liothyronine
ME193897
5920
-
14.076
650.7941
ALANINE (CAS# 56-41-7); (M+H)+
Alanine
ME193471
5950
-
1.122
89.0485
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+
Glucose 6-phosphate
ME193552
5958
-
0.674
260.0304
ASPARTATE (CAS# 56-84-8); (M+H)+
Aspartic acid
ME193483
5960
-
0.71
133.0381
ASPARTATE (CAS# 56-84-8); (M+NA)+
Aspartic acid
ME193484
5960
-
0.631
133.0373
LYSINE (CAS# 56-87-1); (M+H)+
Lysine
ME193697
5962
-
0.561
146.1053
LYSINE (CAS# 56-87-1); (M+NA)+
Lysine
ME193698
5962
-
0.589
146.1052
FRUCTOSE (CAS# 57-48-7); (M+NA)+
Fructose
ME193595
5984
-
0.701
180.063
SUCROSE (CAS# 57-50-1); (M+NA)+
Sucrose
ME193873
5988
-
0.676
342.1182
PROGESTERONE (CAS# 57-83-0); (M+H)+
Progesterone
ME193827
5994
-
19.827
314.2232
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]
Cholesterol
ME193514
5997
-
24.608
386.3545
INOSINE (CAS# 58-63-9); (M+H)+
Inosine
ME193656
6021
-
1.774
268.0828
INOSINE (CAS# 58-63-9); (M+NA)+
Inosine
ME193657
6021
-
1.842
268.0801
ADENOSINE 5'-DIPHOSPHATE (CAS# 58-64-0); (M+H)+
ADP
ME193458
6022
-
1.002
427.0333
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (2M+H)+
UMP
ME193911
6030
-
0.757
324.0378
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (2M+NA)+
UMP
ME193912
6030
-
0.904
324.0383
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+H)+
UMP
ME193913
6030
-
0.91
324.0378
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+
2-Hydroxyquinoline
ME193841
6038
-
7.685
145.0534
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+
2-Hydroxyquinoline
ME193842
6038
-
7.686
145.0538
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+
Phenylephrine
ME193815
6041
-
1.101
167.095
TYROSINE (CAS# 60-18-4); (M+H)+
Tyrosine
ME193903
6057
-
1.416
181.0755
TYROSINE (CAS# 60-18-4); (M+NA)+
Tyrosine
ME193904
6057
-
1.31
181.0742
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M+H)+
AMP
ME193459
6083
-
1.446
347.0636
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+
AMP
ME193460
6083
-
1.428
347.0656
N-METHYLTRYPTAMINE (CAS# 61-49-4); (M+NA)+
N-Methyltryptamine
ME193765
6088
-
4
174.1162
LEUCINE (CAS# 328-39-2); (M+H)+
Leucine
ME193686
6106
-
1.747
131.0953
LEUCINE (CAS# 328-39-2); (M+NA)+
Leucine
ME193687
6106
-
1.58
131.0945
LIPOATE (CAS# 62-46-4); (M+NA)+
Lipoic acid
ME193693
6112
-
13.496
206.044
CMP (CAS# 63-37-6); (M+H)+
CMP
ME193526
6131
-
0.682
323.0507
CYTIDINE 5'-DIPHOSPHATE (CAS# 63-38-7); (M+H)+
CDP
ME193538
6132
-
0.7
403.0203
CYTIDINE 5'-DIPHOSPHATE (CAS# 63-38-7); (M+NA)+
CDP
ME193539
6132
-
0.639
403.022
PHENYLALANINE (CAS# 63-91-2); (M+H)+
Phenylalanine
ME193813
6140
-
2.514
165.0798
PHENYLALANINE (CAS# 63-91-2); (M+NA)+
Phenylalanine
ME193814
6140
-
2.503
165.0797
11-DEOXYCORTICOSTERONE (CAS# 64-85-7); (M+NA)+
11-Deoxycorticosterone
ME193374
6166
-
16.852
330.2199
CYTIDINE (CAS# 65-46-3); (2M+H)+
Cytidine
ME193536
6175
-
0.89
243.0837
CYTIDINE (CAS# 65-46-3); (M+H)+
Cytidine
ME193537
6175
-
0.715
243.0877
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+NA)...
17alpha-Hydroxyprogesterone
ME193379
6238
-
17.882
330.2219
MANNITOL (CAS# 69-65-8); (M+H)+
Mannitol
ME193704
6251
-
0.864
182.0782
MANNITOL (CAS# 69-65-8); (M+H)+[-H2O]
Mannitol
ME193705
6251
-
0.603
182.0784
MANNITOL (CAS# 69-65-8); (M+NA)+
Mannitol
ME193706
6251
-
0.655
182.0807
D-ORNITHINE (CAS# 348-66-3); (M+H)+
D-Ornithine
ME193559
6262
-
0.556
132.0894
L-ORNITHINE (CAS# 70-26-8); (M+H)+
Ornithine
ME193676
6262
-
0.556
132.0894
ASPARAGINE (CAS# 70-47-3); (M+H)+
Asparagine
ME193481
6267
-
0.462
132.054
ASPARAGINE (CAS# 70-47-3); (M+NA)+
Asparagine
ME193482
6267
-
0.649
132.0523
L-HISTIDINE (CAS# 71-00-1); (M+H)+
Histidine
ME193673
6274
-
0.641
155.069
L-HISTIDINE (CAS# 71-00-1); (M+NA)+
Histidine
ME193674
6274
-
0.645
155.0683
VALINE (CAS# 72-18-4); (M+H)+
Valine
ME193916
6287
-
0.8
117.0797
VALINE (CAS# 72-18-4); (M+NA)+
Valine
ME193917
6287
-
0.74
117.0783
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]
Threonine
ME193886
6288
-
0.849
119.0582
TRYPTOPHAN (CAS# 73-22-3); (M+H)+
Tryptophan
ME193900
6305
-
3.615
204.0906
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+
Tryptophan
ME193901
6305
-
3.628
204.0915
ISOLEUCINE (CAS# 73-32-5); (M+H)+
Isoleucine
ME193659
6306
-
1.733
131.0953
ISOLEUCINE (CAS# 73-32-5); (M+NA)+
Isoleucine
ME193660
6306
-
1.576
131.0958
L-ARGININE (CAS# 74-79-3); (M+H)+
Arginine
ME193666
6322
-
0.65
174.1103
L-ARGININE (CAS# 74-79-3); (M+NA)+
Arginine
ME193667
6322
-
0.622
174.11
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+
Gibberellin A3
ME193607
6466
-
8.516
346.1429
QUINATE (CAS# 77-95-2); (M+NA)+
Quinic acid
ME193840
6508
-
1.087
192.0627
2-METHYLPROPANOATE (CAS# 79-31-2); (M+NA)+
Isobutyric acid
ME193397
6590
-
3.091
88.0527
PANTOTHENATE (CAS# 79-83-4); (M+H)+
Pantothenic acid
ME193807
6613
-
3.294
219.1119
PANTOTHENATE (CAS# 79-83-4); (M+NA)+
Pantothenic acid
ME193808
6613
-
3.296
219.1123
TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O]
Taurocholic acid
ME193875
6675
-
18.429
515.293
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+
Taurocholic acid
ME193876
6675
-
18.32
515.2905
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+
4-Pyridoxic acid
ME193433
6723
-
2.055
183.0529
GUANOSINE (CAS# 118-00-3); (M+H)+
Guanosine
ME193632
6802
-
1.829
283.0906
GUANOSINE (CAS# 118-00-3); (M+NA)+
Guanosine
ME193633
6802
-
1.884
283.0936
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M+H)+
GMP
ME193635
6804
-
1.021
363.0563
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M+NA)+[-H...
GMP
ME193636
6804
-
0.653
363.0571
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M+H)+
GMP
ME193637
6804
-
1.022
363.0593
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+
gamma-Butyrolactone
ME193601
7302
-
2.093
86.0373
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+
Pyroglutamic acid
ME193447
7405
-
1.216
129.0432
1-PHENYLETHANOL (CAS# 1445-91-6); (M+H)+[-H2O]
1-Phenylethanol
ME193371
7409
-
2.873
122.0739
PHENYLHYDRAZINE (CAS# 100-63-0); (M+H)+
Phenylhydrazine
ME193818
7516
-
3.487
108.0688
DIETHANOLAMINE (CAS# 111-42-2); (M+NA)+
Diethanolamine
ME193578
8113
-
0.402
105.0789
NONANOATE (CAS# 112-05-0); (M+NA)+
Pelargonic acid
ME193780
8158
-
13.152
158.1316
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+
Bis(2-ethylhexyl)phthalate
ME193498
8343
-
23.109
390.2793
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...
Bis(2-ethylhexyl)phthalate
ME193499
8343
-
23.112
390.278
CYCLOPENTANONE (CAS# 120-92-3); (2M+K)+
Cyclopentanone
ME193531
8452
-
3.17
84.0578
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M+H)+
IMP
ME193658
8582
-
0.801
348.0474
PREGNENOLONE (CAS# 145-13-1); (M+H)+[-H2O]
Pregnenolone
ME193824
8955
-
20.527
316.2386
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...
2-Methylpropanal oxime
ME193396
9023
-
0.996
87.0692
CITRULLINE (CAS# 372-75-8); (M+NA)+
Citrulline
ME193525
9750
-
0.701
175.0956
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+
Lithocholic acid
ME193694
9903
-
22.332
376.3
HOMOCYSTINE (CAS# 462-10-2); (M+NA)+
Homocystine
ME193641
10010
-
0.57
268.053
METHYLGUANIDINE (CAS# 471-29-4); (M+H)+
Methylguanidine
ME193715
10111
-
0.699
73.064
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+
Glycocholic acid
ME193624
10140
-
18.824
465.3076
ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M+NA...
Adenosine phosphosulfate
ME193461
10238
-
0.585
427.0159
SALICYLURIC ACID (CAS# 487-54-7); (M+NA)+
Salicyluric acid
ME193857
10253
-
6.367
195.0529
SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O]
Suberic acid
ME193871
10457
-
8.243
174.088
SUBERIC ACID (CAS# 505-48-6); (M+NA)+
Suberic acid
ME193872
10457
-
8.277
174.0909
ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+
Arachidic acid
ME193479
10467
-
23.327
312.3039
17BETA-HYDROXYANDROSTAN-3-ONE (CAS# 521-18-6); (M+...
5alpha-Dihydrotesosterone
ME193380
10635
-
18.751
290.2246
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+
Tryptophanol
ME193653
10685
-
8.458
161.0838
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+[-H2O]
Tryptophanol
ME193654
10685
-
8.461
161.0856
GLUCONIC ACID (CAS# 526-95-4); (M+NA)+
Gluconic acid
ME193608
10690
-
0.778
196.0564
L-CARNITINE (CAS# 541-15-1); (M+H)+
Carnitine
ME193669
10917
-
0.646
161.1062
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+
5-Valerolactone
ME193448
10953
-
2.087
100.0523
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+
2-Hydroxybutyric acid
ME193391
11266
-
1.749
104.0478
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+
Ethylmalonic acid
ME193590
11756
-
3.006
132.0431
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+
Galactitol
ME193596
11850
-
0.529
182.0799
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+[-H2...
Galactitol
ME193597
11850
-
0.603
182.0784
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+
Galactitol
ME193598
11850
-
0.655
182.0807
MANDELIC ACID (CAS# 611-71-2); (M+NA)+
Mandelic acid
ME193703
11914
-
5.648
152.047
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M+NA)+
N-Acetylcysteine
ME193742
12035
-
3.211
324.0447
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+
2-Methylglutaric acid
ME193392
12046
-
3.6
146.0568
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+[-H...
2-Methylglutaric acid
ME193393
12046
-
3.872
146.0587
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+
2-Methylglutaric acid
ME193394
12046
-
3.57
146.059
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+
Methylglutaric acid
ME193411
12284
-
3.6
146.0568
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+[-H2O]
Methylglutaric acid
ME193412
12284
-
3.82
146.0592
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+
Methylglutaric acid
ME193413
12284
-
3.57
146.059
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+
3-Methyladipic acid
ME193418
12292
-
5.618
160.0745
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...
Dehydroepiandrosterone sulfate
ME193423
12594
-
14.733
368.1692
DAMP (CAS# 653-63-4); (M+H)+
dAMP
ME193561
12599
-
1.239
331.0708
DAMP (CAS# 653-63-4); (M+NA)+
dAMP
ME193562
12599
-
1.235
331.0711
HOMOSERINE (CAS# 672-15-1); (M+H)+
Homoserine
ME193643
12647
-
0.666
119.0585
HOMOSERINE (CAS# 672-15-1); (M+NA)+
Homoserine
ME193644
12647
-
0.64
119.0584
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+
N-Cyclohexylformamide
ME193758
13017
-
7.96
127.0995
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+
N-Cyclohexylformamide
ME193759
13017
-
7.958
127.0986
DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+
Deoxycytidine
ME193569
13711
-
0.837
227.0921
DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+
Deoxycytidine
ME193570
13711
-
0.838
227.0915
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+
Deoxyuridine
ME193571
13712
-
1.442
228.0749
DEOXYADENOSINE (CAS# 16373-93-6); (M+H)+
Deoxyadenosine
ME193566
13730
-
1.934
251.1027
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H...
CDP-choline
ME193540
13804
-
0.576
488.111
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+N...
CDP-choline
ME193541
13804
-
0.596
488.1106
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...
dCMP
ME193384
13945
-
0.687
307.0577
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+N...
Nicotinamide ribotide
ME193776
14180
-
0.543
334.0559
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O]
1,2,3-Propanetricarboxylic acid
ME193896
14925
-
1.105
176.0327
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+
alpha-Tocopherol
ME193475
14985
-
24.506
430.3808
ADPGLUCOSE (CAS# ); (M+H)+
ADP-glucose
ME193467
16500
-
0.882
589.087
ADPGLUCOSE (CAS# ); (M+NA)+
ADP-glucose
ME193468
16500
-
0.582
589.0784
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+
4-Acetamidobutanoic acid
ME193424
18189
-
1.849
145.0752
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+
CAR 2:0
ME193788
18230
-
0.988
203.1157
GDPMANNOSE (CAS# ); (M+H)+
GDP-mannose
ME193605
18396
-
0.578
605.0747
GDPMANNOSE (CAS# ); (M+NA)+
GDP-mannose
ME193606
18396
-
0.58
605.0809
NORLEUCINE (CAS# 327-57-1); (M+H)+
Norleucine
ME193783
21236
-
1.739
131.0953
L-RHAMNOSE (CAS# 10030-85-0); (2M+NA)+
Rhamnose
ME193677
25310
-
0.637
164.0694
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+
1-Methyladenosine
ME193367
27476
-
2.925
281.1151
URSODIOL (CAS# 128-13-2); (M+NA)+
Ursodeoxycholic acid
ME193915
31401
-
21.698
392.2922
GLUTAMATE (CAS# 56-86-0); (M+H)+
Glutamic acid
ME193615
33032
-
0.709
147.0529
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]
Glutamic acid
ME193616
33032
-
0.666
147.0536
ADP-RIBOSE (CAS# ); (M+H)+
ADP-ribose
ME193464
33576
-
0.573
559.0771
ADP-RIBOSE (CAS# ); (M+H)+[-H2O]
ADP-ribose
ME193465
33576
-
1.043
559.0741
ADP-RIBOSE (CAS# ); (M+NA)+
ADP-ribose
ME193466
33576
-
0.579
559.0738
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+
S-Adenosylmethionine
ME193856
34755
-
0.678
398.1365
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+
N-Acetylgalactosamine
ME193748
35717
-
0.719
221.092
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2...
N-Acetylgalactosamine
ME193749
35717
-
0.776
221.0908
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+
N-Acetylgalactosamine
ME193750
35717
-
0.712
221.0921
ADENOSINE (CAS# 58-61-7); (M+H)+
Adenosine
ME193457
60961
-
1.79
267.0962
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+
3-Methyl-2-butenal
ME193414
61020
-
2.703
84.0579
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0...
4-Hydroxy-3-methoxybenzenemethanol
ME193430
62348
-
3.897
154.0645
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME193407
64956
-
1.823
103.0639
XANTHOSINE (CAS# 146-80-5); (M+H)+
Xanthosine
ME193919
64959
-
2.303
284.0783
XANTHOSINE (CAS# 146-80-5); (M+NA)+
Xanthosine
ME193920
64959
-
2.416
284.077
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+
3-Methylhistidine
ME193721
64969
-
0.685
169.084
2'-DEOXYINOSINE (CAS# 890-38-0); (2M+NA)+
Deoxyinosine
ME193386
65058
-
1.824
252.0865
2'-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+
Deoxyinosine
ME193387
65058
-
2.102
252.0834
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-...
N-Acetylaspartic acid
ME193741
65065
-
0.848
175.0483
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[...
Cholesterol sulfate
ME193515
65076
-
23.698
466.3105
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...
3-Amino-4-hydroxybenzoic acid
ME193406
65083
-
1.303
153.0411
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+H)+[-H2...
25-Hydroxycholesterol
ME193403
65094
-
22.888
402.3464
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+NA)+
25-Hydroxycholesterol
ME193404
65094
-
22.958
402.3477
NORVALINE (CAS# 6600-40-4); M+[-CO2H]
Norvaline
ME193787
65098
-
0.615
117.0797
NORVALINE (CAS# 6600-40-4); (M+H)+
Norvaline
ME193786
65098
-
0.82
117.0797
1-(5'-PHOSPHORIBOSYL)-5-AMINO-4-IMIDAZOLECARBOXAMI...
AICAR
ME193365
65110
-
0.651
338.0616
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+
N-Acetylserine
ME193736
65249
-
0.851
147.0529
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]
N-Acetylserine
ME193737
65249
-
0.666
147.0536
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+
N-Acetylserine
ME193738
65249
-
0.642
147.0523
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2
Oxidized glutathione
ME193802
65359
-
1.413
612.1581
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Oxidized glutathione
ME193803
65359
-
1.362
612.1537
D-LYXOSE (CAS# 1114-34-7); (M+NA)+
Lyxose
ME193554
65550
-
0.675
150.0536
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...
Lathosterol
ME193449
65728
-
24.608
386.3545
ARABINOSE (CAS# 147-81-9); (M+NA)+
Arabinose
ME193478
66308
-
0.675
150.0536
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+
Arabinose
ME193544
66308
-
0.721
150.0536
3'-CMP (CAS# 63-37-6); (M+H)+
3'-CMP
ME193405
66535
-
0.683
323.0544
O-PHOSPHOSERINE (CAS# 407-41-0); (M+H)+
DL-O-Phosphoserine
ME193793
68841
-
0.643
185.0103
O-PHOSPHOSERINE (CAS# 407-41-0); (M+NA)+
DL-O-Phosphoserine
ME193794
68841
-
0.637
185.0084
6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M+NA)+
6-Hydroxynicotinic acid
ME193451
72924
-
1.835
139.0275
PTERIN (CAS# 2236-60-4); (M+H)+
Pterin
ME193834
73000
-
1.737
163.0502
XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M+H)+
XMP
ME193921
73323
-
1.244
364.0402
GLUCOSAMINATE (CAS# 3646-68-2); (M+H)+
Glucosaminic acid
ME193609
73563
-
0.693
195.0752
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+H)+[-H2...
Monomethyl glutaric acid
ME193718
73917
-
3.82
146.0592
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+
Monomethyl glutaric acid
ME193719
73917
-
3.57
146.059
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+
N-Acetylphenylalanine
ME193746
74839
-
7.749
207.0901
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+
N-Acetylphenylalanine
ME193747
74839
-
7.751
207.0904
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (2M+NA)+
N-Acetylleucine
ME193743
75619
-
7.17
173.1062
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+
N-Acetylleucine
ME193744
75619
-
7.201
173.1055
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+
N-Acetylleucine
ME193745
75619
-
7.21
173.1058
5-HYDROXYMETHYLURACIL (CAS# 4433-40-3); (M+H)+
5-Hydroxymethyluracil
ME193442
78168
-
0.973
142.0367
5-HYDROXYMETHYLURACIL (CAS# 4433-40-3); (M+NA)+
5-Hydroxymethyluracil
ME193443
78168
-
0.644
142.0392
GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O]
Glyceraldehyde
ME193619
79014
-
1.704
90.0323
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+H)+
MG 14:0
ME193843
79050
-
22.06
302.2444
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+H)+...
MG 14:0
ME193844
79050
-
22.049
302.2447
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...
MG 14:0
ME193845
79050
-
22.115
302.2465
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME193825
83228
-
0.559
162.1001
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME193826
83228
-
0.652
162.1007
GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+
Galacturonic acid
ME193599
84740
-
0.631
194.0434
GALACTURONIC ACID (CAS# 91510-62-2); (M+NA)+[-H2O]
Galacturonic acid
ME193600
84740
-
0.609
194.0432
BOC-PRO-OH (CAS# 15761-39-4); (M+NA)+
-
ME193502
85083
-
11.959
215.1154
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+
3-Hydroxymandelic acid
ME193699
86957
-
2.09
168.041
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O]
N-Acetylalanine
ME193739
88064
-
1.232
131.0583
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+
N-Acetylalanine
ME193740
88064
-
1.319
131.0575
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]
Psicose
ME193560
90008
-
0.684
180.0646
ACETOACETYL-COA (CAS# 1420-36-6); (M+H)+
Acetoacetyl-CoA
ME193454
92153
-
21.184
851.1328
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...
N6-Isopentenyladenine
ME193768
92180
-
7.844
203.1174
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...
N6-Isopentenyladenine
ME193769
92180
-
7.867
203.1184
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...
3beta-Hydroxy-5alpha-pregnan-20-one
ME193422
92787
-
20.738
318.2555
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+
N(2)-Acetyllysine
ME193756
92907
-
0.981
188.1165
RIBITOL (CAS# 488-81-3); (M+H)+
Ribitol
ME193848
94154
-
0.778
152.068
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...
Methyl beta-D-galactoside
ME193713
94214
-
0.689
194.0809
GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+
Glucuronic acid
ME193614
94715
-
0.744
194.0437
IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+
Imidazoleacetic acid
ME193649
96215
-
0.682
126.0431
DIHYDROFOLATE (CAS# 4033-27-6); (M+H)+
Dihydrofolic acid
ME193579
98792
-
5.113
443.1509
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+
Allothreonine
ME193664
99289
-
0.666
119.0585
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]
Allothreonine
ME193665
99289
-
0.656
119.058
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+H...
N-Acetylasparagine
ME193755
99715
-
0.656
174.0644
LANTHIONINE (CAS# 3183-08-2); (M+H)+
Lanthionine
ME193683
102950
-
0.884
208.0535
LANTHIONINE (CAS# 3183-08-2); (M+NA)+
Lanthionine
ME193684
102950
-
0.836
208.0527
TRANS-3'-HYDROXYCOTININE (CAS# 34834-67-8); (M+H)+
trans-3-Hydroxycotinine
ME193894
107963
-
0.967
192.091
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85...
Anserine
ME193489
112072
-
0.711
240.1213
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85...
Anserine
ME193490
112072
-
0.729
240.1235
IBUPROFEN (CAS# 15687-27-1); (M+NA)+
Ibuprofen
ME193648
114864
-
18.901
206.1309
SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+
Selenocystamine
ME193859
115119
-
0.52
247.9306
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+
Glycolithocholic acid
ME193625
115245
-
21.648
433.3235
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O]
Glycolithocholic acid
ME193626
115245
-
21.472
433.3224
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+NA)+
5-Hydroxyomeprazole
ME193440
119560
-
12.245
361.111
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...
Galactose 1-phosphate
ME193473
123912
-
0.662
260.0304
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME193602
123938
-
1.102
250.0647
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME193603
123938
-
0.961
250.0636
GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Glutathione
ME193617
124886
-
1.362
612.154
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2
Glutathione
ME193618
124886
-
1.413
612.1581
AHBA (CAS# 76045-71-1); (M+H)+
3-Amino-5-hydroxybenzoic acid
ME193470
127115
-
1.303
153.0411
PROLINE (CAS# 147-85-3); (M+H)+
Proline
ME193828
145742
-
0.592
115.0632
PROLINE (CAS# 147-85-3); (M+NA)+
Proline
ME193829
145742
-
0.637
115.0644
3-METHYL-2-OXINDOLE (CAS# 1504-06-9); (M+H)+
3-Methyloxindole
ME193415
150923
-
9.197
147.0682
L-GULONATE (CAS# 6322-07-2); (M+H)+[-H2O]
Gulonic acid
ME193670
152304
-
0.973
196.0591
L-GULONATE (CAS# 6322-07-2); (M+NA)+
Gulonic acid
ME193671
152304
-
0.778
196.0564
L-GULONATE (CAS# 6322-07-2); (M+NA)+[-H2O]
Gulonic acid
ME193672
152304
-
0.828
196.0595
NAPROXEN (CAS# 22204-53-1); (M+H)+
Naproxen
ME193773
156391
-
15.753
230.0945
NAPROXEN (CAS# 22204-53-1); (M+NA)+
Naproxen
ME193774
156391
-
15.76
230.095
NICOTINE (CAS# 54-11-5); (M+H)+
Nicotine
ME193777
157672
-
1.465
162.1165
ABRINE (CAS# 526-31-8); (M+H)+
N(alpha)-Methyl-tryptophan
ME193452
160511
-
3.657
218.1066
KYNURENINE (CAS# 343-65-7); (M+H)+
Kynurenine
ME193663
161166
-
2.413
208.0862
PINITOL (CAS# 10284-63-6); (M+NA)+
Pinitol
ME193821
164619
-
0.689
194.0809
L-HISTIDINOL (CAS# 4836-52-6); (M+H)+
L-Histidinol
ME193675
165271
-
0.548
141.0891
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+
CAR 12:0
ME193685
168381
-
17.887
343.272
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+
Deoxyguanosine
ME193385
187790
-
1.79
267.0962
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+
Dehydroascorbic acid
ME193565
210328
-
1.056
174.0156
CHOLATE (CAS# 81-25-4); (M+NA)+
Cholic acid
ME193513
221493
-
20.357
408.2847
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+
Deoxycholic acid
ME193567
222528
-
21.927
392.2953
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+
Deoxycholic acid
ME193568
222528
-
21.706
392.2922
LANOSTEROL (CAS# 79-63-0); (M+NA)+
Lanosterol
ME193682
246983
-
23.641
426.3867
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+
S-Adenosylhomocysteine
ME193855
439155
-
1.493
384.1226
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M+NA)+
Ribose 5-phosphate
ME193853
439167
-
0.675
230.0205
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+
5'-Methylthioadenosine
ME193435
439176
-
4.486
297.0916
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+
5'-Methylthioadenosine
ME193436
439176
-
4.481
297.0874
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+H)+
5'-Deoxyadenosine
ME193434
439182
-
2.783
251.1031
3-PHOSPHOGLYCERATE (CAS# ); (M+H)+
3-Phosphoglyceric acid
ME193419
439183
-
0.511
185.9918
BETA-MALTOSE (CAS# 69-79-4); (2M+NA)+
Maltose
ME193491
439186
-
0.7
342.1157
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME193492
439186
-
0.676
342.1182
MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME193702
439186
-
0.676
342.1182
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+
N-Acetylneuraminic acid
ME193751
439197
-
0.578
309.1068
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+
N-Acetylneuraminic acid
ME193752
439197
-
0.677
309.1071
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+H)+[-H2O]
Mannose 6-phosphate
ME193707
439198
-
0.664
260.0287
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+
Mannose 6-phosphate
ME193708
439198
-
0.662
260.0304
D-GLUCOSAMINE (CAS# 3416-24-8); (M+H)+
Glucosamine
ME193549
439213
-
0.684
179.079
D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+
Glucosamine
ME193550
439213
-
0.615
179.0796
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+
Glucosamine 6-phosphate
ME193610
439217
-
0.827
259.0445
DGDP (CAS# 653-63-4); (M+H)+
dGDP
ME193575
439220
-
1.239
427.0332
DGDP (CAS# 653-63-4); (M+NA)+
dGDP
ME193576
439220
-
1.235
427.0323
CARNOSINE (CAS# 305-84-0); (M+H)+
Carnosine
ME193509
439224
-
0.664
226.1069
CARNOSINE (CAS# 305-84-0); (M+NA)+
Carnosine
ME193510
439224
-
0.636
226.1083
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+[-H2O]
Mevalonic acid
ME193717
439230
-
1.676
148.0745
RAFFINOSE (CAS# 512-69-6); (M+K)+
Raffinose
ME193846
439242
-
0.618
504.1736
RAFFINOSE (CAS# 512-69-6); (M+NA)+
Raffinose
ME193847
439242
-
0.721
504.172
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O]
Cystathionine
ME193532
439258
-
0.659
222.0681
CYSTATHIONINE (CAS# 56-88-2); (M+NA)+
Cystathionine
ME193533
439258
-
0.637
222.0654
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (2M+H)+
5-Hydroxy-tryptophan
ME193444
439280
-
1.738
220.0837
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+
5-Hydroxy-tryptophan
ME193445
439280
-
1.806
220.0866
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME193862
439285
-
0.649
257.1051
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O...
N-Methyl-glutamic acid
ME193763
439377
-
2.054
161.0691
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+
o-Succinylhomoserine
ME193795
439406
-
0.647
219.075
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]
Allose
ME193472
439507
-
1.754
180.0651
STACHYOSE (CAS# 54261-98-2); (M+K)+
Stachyose
ME193869
439531
-
0.749
666.2158
STACHYOSE (CAS# 54261-98-2); (M+NA)+
Stachyose
ME193870
439531
-
0.726
666.2271
PALATINOSE (CAS# 343336-76-5); (M+NA)+
Palatinose
ME193804
439559
-
0.678
342.1182
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O]
Desmosterol
ME193572
439577
-
23.97
384.3383
TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+H)+
Taurolithocholic acid
ME193877
439763
-
22.036
483.3016
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+
Taurolithocholic acid
ME193878
439763
-
21.84
483.3047
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O]
Taurolithocholic acid
ME193879
439763
-
21.746
483.2992
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+
Taurolithocholic acid
ME193880
439763
-
21.873
483.3066
D-GLUCURONOLACTONE (CAS# 32449-92-6); (M+NA)+
Glucuronolactone
ME193553
439782
-
0.732
176.0331
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+
N-Acetyl-D-tryptophan
ME193728
439917
-
7.917
246.1016
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+
N-Acetyl-D-tryptophan
ME193729
439917
-
7.98
246.1025
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+
cis-4-Hydroxyproline
ME193431
440015
-
0.879
131.0587
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME193361
440473
-
0.949
198.063
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME193362
440473
-
0.656
198.063
MELIBIOSE (CAS# 585-99-9); (M+K)+
Melibiose
ME193711
440658
-
0.666
342.1189
MELIBIOSE (CAS# 585-99-9); (M+NA)+
Melibiose
ME193712
440658
-
0.677
342.1196
LACTOSE (CAS# 63-42-3); (M+K)+
Lactose
ME193680
440995
-
0.666
342.1189
LACTOSE (CAS# 63-42-3); (M+NA)+
Lactose
ME193681
440995
-
0.678
342.1182
CITRAMALATE (CAS# 2306-22-1); (M+NA)+
Citramalic acid
ME193522
441696
-
1.514
148.0385
CINNAMIC ACID (CAS# 140-10-3); (M+H)+[-H2O]
trans-Cinnamic acid
ME193518
444539
-
11.52
148.0513
DETHIOBIOTIN (CAS# 533-48-2); (M+H)+
Dethiobiotin
ME193573
445027
-
8.286
214.1312
OLEIC ACID (CAS# 112-80-1); (M+H)+
Oleic acid
ME193798
445639
-
22.504
282.2542
OLEIC ACID (CAS# 112-80-1); (M+NA)+
Oleic acid
ME193799
445639
-
22.521
282.2563
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+
UDP-N-acetylglucosamine
ME193907
445675
-
1.327
607.0785
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)...
UDP-N-acetylglucosamine
ME193908
445675
-
1.308
607.0864
FERULATE (CAS# 1135-24-6); (M+H)+
trans-Ferulic acid
ME193591
445858
-
8.291
194.0568
FERULATE (CAS# 1135-24-6); (M+H)+[-H2O]
trans-Ferulic acid
ME193592
445858
-
8.158
194.0572
FERULATE (CAS# 1135-24-6); (M+NA)+
trans-Ferulic acid
ME193593
445858
-
8.252
194.0578
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (2M+NA)+
N-Acetylglucosamine
ME193722
446101
-
0.716
221.0921
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+
N-Acetylglucosamine
ME193723
446101
-
0.719
221.092
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H...
N-Acetylglucosamine
ME193724
446101
-
0.776
221.0908
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+
N-Acetylglucosamine
ME193725
446101
-
0.712
221.0921
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+
N-Acetylmethionine
ME193733
448580
-
4.105
191.0626
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H...
N-Acetylmethionine
ME193734
448580
-
4.076
191.0611
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+
N-Acetylmethionine
ME193735
448580
-
4.102
191.0625
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+
trans-Zeatin
ME193923
449093
-
3.905
219.1125
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+
LPC 16:0
ME193375
460602
-
22.23
495.3335
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+
LPC 16:0
ME193376
460602
-
22.279
495.3334
RIBOFLAVIN (CAS# 83-88-5); (2M+NA)+
Riboflavin
ME193849
493570
-
7.619
376.1384
RIBOFLAVIN (CAS# 83-88-5); (M+H)+
Riboflavin
ME193850
493570
-
7.619
376.1393
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+
Riboflavin
ME193851
493570
-
7.617
376.1402
ELAIDIC ACID (CAS# 112-79-8); (M+H)+
Elaidic acid
ME193584
637517
-
22.937
282.2563
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+
Elaidic acid
ME193585
637517
-
22.79
282.2574
4-COUMARATE (CAS# 501-98-4); (M+H)+
cis-p-Coumaric acid
ME193427
637542
-
6.576
164.0462
4-COUMARATE (CAS# 501-98-4); (M+H)+[-H2O]
cis-p-Coumaric acid
ME193428
637542
-
6.932
164.0479
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...
Thyrotropin releasing hormone
ME193891
638678
-
1.401
362.168
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...
Thyrotropin releasing hormone
ME193892
638678
-
1.523
362.1717
ROSMARINIC ACID (CAS# 20283-92-5); (2M+NA)+
Rosmarinic acid
ME193854
639655
-
10.297
360.0854
2-METHYLMALEATE (CAS# 498-23-7); (M+NA)+
Citraconic acid
ME193395
643798
-
2.113
130.0275
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)...
FAD
ME193594
643975
-
6.47
785.159
SPHINGANINE (CAS# 764-22-7); (M+H)+
Sphinganine
ME193866
644260
-
20.806
301.2958
NORMETANEPHRINE (CAS# 0); (M+H)+
Normetanephrine
ME193784
688100
-
2.595
183.0898
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]
Normetanephrine
ME193785
688100
-
2.519
183.0906
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+
cis-Zeatin
ME193521
688597
-
3.905
219.1125
UROCANATE (CAS# 104-98-3); (M+H)+
Urocanic acid
ME193914
736715
-
1.076
138.0439
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME193390
853180
-
3.533
118.0639
(-)-COTININE (CAS# 486-56-6); (M+H)+
Cotinine
ME193359
854019
-
1.701
176.0963
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M+H)+
4,5-Dihydroorotic acid
ME193363
1149667
-
0.897
158.0322
CAFFEATE (CAS# 331-39-5); (M+H)+[-H2O]
Caffeic acid
ME193506
1549111
-
5.362
180.0409
BOC-LYS-OH (CAS# 13734-28-6); (M+H)+
-
ME193501
2733284
-
4.698
246.1589
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+
Galactosamine
ME193545
3034366
-
0.684
179.079
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O]
Galactosamine
ME193546
3034366
-
0.631
179.0786
D-GALACTOSAMINE (CAS# 7535-00-4); (M+K)+
Galactosamine
ME193547
3034366
-
0.699
179.0799
D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+
Galactosamine
ME193548
3034366
-
0.615
179.0796
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+
Galactosamine
ME193555
3034366
-
0.684
179.079
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O]
2-Amino-2-deoxy-D-mannose
ME193556
3034366
-
0.631
179.0786
D-MANNOSAMINE (CAS# 14307-02-9); (M+K)+
2-Amino-2-deoxy-D-mannose
ME193557
3034366
-
0.699
179.0799
D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+
2-Amino-2-deoxy-D-mannose
ME193558
3034366
-
0.615
179.0796
D-GLUCOSAMINE 6-SULFATE (CAS# 91674-26-9); (M+H)+
Glucosamine 6-sulfate
ME193551
3330962
-
0.769
259.0356
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL (CAS# 93...
Glyceraldehyde 3-phosphate diethyl acetal
ME193620
3334922
-
3.507
244.0711
THIAMIN MONOPHOSPHATE (CAS# 532-40-1); (M+H)+
Thiamine monophosphate
ME193885
3382778
-
0.665
344.0719
ETHYL 3-UREIDOPROPIONATE (CAS# 198879-21-9); (M+H)...
Ethyl 3-(carbamoylamino)propanoate
ME193589
3613685
-
3.674
160.0832
DIMETHYL MALEATE (CAS# 624-48-6); (M+H)+
Dimethyl maleate
ME193580
5271565
-
5.055
144.0435
DIMETHYL MALEATE (CAS# 624-48-6); (M+NA)+
Dimethyl maleate
ME193581
5271565
-
4.932
144.0431
SPHINGOSINE (CAS# 123-78-4); (M+H)+
Sphingosine
ME193867
5280335
-
20.442
299.2804
SPHINGOSINE (CAS# 123-78-4); (M+H)+[-H2O]
Sphingosine
ME193868
5280335
-
20.49
299.2811
BILIVERDIN (CAS# 114-25-0); (M+NA)+
Biliverdin
ME193495
5280353
-
18.46
582.2492
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+
PGE2
ME193830
5280360
-
16.756
352.2233
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O]
PGE2
ME193831
5280360
-
16.846
352.2226
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+
PGE2
ME193832
5280360
-
16.763
352.2222
LINOLEATE (CAS# 60-33-3); (M+NA)+
Linoleic acid
ME193691
5280450
-
18.653
280.2394
MALEAMATE (CAS# 557-24-4); (M+H)+
Maleamate
ME193700
5280451
-
0.772
115.0268
MALEAMATE (CAS# 557-24-4); (M+NA)+
Maleamate
ME193701
5280451
-
0.644
115.0277
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+
LTB4
ME193688
5280492
-
20.807
336.2307
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]
LTB4
ME193689
5280492
-
20.748
336.2298
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+
LTB4
ME193690
5280492
-
20.631
336.2286
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+
gamma-Linolenic acid
ME193604
5280933
-
22.771
278.222
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+
alpha-Linolenic acid
ME193474
5280934
-
22.771
278.222
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+
Jasmonic acid
ME193661
5281166
-
13.161
210.1259
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+
Jasmonic acid
ME193662
5281166
-
13.164
210.1262
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+
Methyl jasmonate
ME193714
5281929
-
15.958
224.1411
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+
cis-Vaccenic acid
ME193519
5282761
-
22.927
282.2563
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+
cis-Vaccenic acid
ME193520
5282761
-
22.958
282.2532
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O]
TXB2
ME193887
5283137
-
16.756
370.2337
THROMBOXANE B2 (CAS# 54397-85-2); (M+NA)+
TXB2
ME193888
5283137
-
16.73
370.2341
OLEAMIDE (CAS# 301-02-0); (M+H)+
Oleamide
ME193796
5283387
-
22.632
281.2712
OLEAMIDE (CAS# 301-02-0); (M+NA)+
Oleamide
ME193797
5283387
-
22.626
281.2713
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O...
MG 18:1
ME193369
5283468
-
22.838
356.2893
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+
MG 18:1
ME193370
5283468
-
22.709
356.2943
CALCIDIOL (CAS# 19356-17-3); (M+NA)+
25-Hydroxyvitamin D3
ME193508
5283731
-
22.63
400.3304
HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+
Hyodeoxycholic acid
ME193646
5283820
-
20.148
392.2914
LUMICHROME (CAS# 1086-80-2); (M+H)+
Lumichrome
ME193695
5326566
-
10.921
242.0813
LUMICHROME (CAS# 1086-80-2); (M+NA)+
Lumichrome
ME193696
5326566
-
10.921
242.0811
DEXTROMETHORPHAN (CAS# 125-69-9); (M+H)+
Dextromethorphan
ME193574
5360696
-
11.222
271.195
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...
1-Aminocyclopropanecarboxylic acid
ME193366
5460234
-
0.91
101.0475
MELANIN (CAS# 8049-97-6); (M+H)+
Melanin
ME193709
6325610
-
1.253
318.0671
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+H)+
N-Oleoyl glycine
ME193766
6436908
-
22.763
339.2766
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+NA)+
N-Oleoyl glycine
ME193767
6436908
-
22.557
339.2785
CYSTINE (CAS# 56-89-3); (M+H)+
Cystine
ME193534
6857538
-
0.866
240.0255
CYSTINE (CAS# 56-89-3); (M+NA)+
Cystine
ME193535
6857538
-
0.644
240.0235
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+
Uracil-5-carboxylic acid
ME193909
6971263
-
1.001
156.0173
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+[-H2...
Uracil-5-carboxylic acid
ME193910
6971263
-
0.982
156.0162
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+H)+[-H2O]
10-Hydroxydecanoic acid
ME193372
6991989
-
13.581
188.1406
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+
10-Hydroxydecanoic acid
ME193373
6991989
-
13.568
188.1415
DGMP (CAS# 902-04-5); (M+H)+
dGMP
ME193577
6994968
-
1.097
347.0654
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+
Ophthalmic acid
ME193800
7018721
-
1.322
289.1294
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+
Salsolinol
ME193360
7157331
-
1.395
179.0958
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+
LPE 18:0
ME193381
9547068
-
22.765
481.3192
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+
LPE 18:0
ME193382
9547068
-
22.68
481.313
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+
LPE 18:0
ME193383
9547068
-
22.469
481.3214
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2...
Glycochenodeoxycholic acid
ME193622
9548796
-
20.479
449.3131
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+
Glycochenodeoxycholic acid
ME193623
9548796
-
20.443
449.3099
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+
5-Methyl-THF
ME193446
9825434
-
3.574
459.1893
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+
CAR 16:0
ME193805
11953816
-
21.335
399.3352
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+
CAR 16:0
ME193806
11953816
-
21.337
399.3355
BIOTIN (CAS# 58-85-5); (M+H)+[-H2O]
Biotin
ME193496
11966127
-
6.347
244.0879
BIOTIN (CAS# 58-85-5); (M+NA)+
Biotin
ME193497
11966127
-
6.269
244.0898
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (2M+NA)+
Glucosamine
ME193757
13998612
-
5.072
279.1334
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+
Tryptophan
ME193678
16217285
-
3.64
206.0851
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...
-
ME193668
16217579
-
0.662
176.1055
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+
PC 16:0_18:0
ME193377
18631368
-
25.545
761.5895
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+
PC 16:0_18:0
ME193378
18631368
-
25.564
761.5952
2-AMINOBUTANOATE (CAS# 2623-91-8); (M+H)+
2-Aminobutyric acid
ME193389
21889526
-
0.817
103.0636
2-AMINO-2-METHYLPROPANOATE (CAS# 62-57-7); (M+H)+
Aminoisobutyric acid
ME193388
22316286
-
1.424
103.063
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+H)+[-H2O]
UDP-N-acetylgalactosamine
ME193905
23724461
-
1.224
607.0848
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+
UDP-N-acetylgalactosamine
ME193906
23724461
-
1.009
607.087
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+
LPC 20:0
ME193399
24779473
-
22.853
551.3917
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+
LPC 20:0
ME193400
24779473
-
22.904
551.3922
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+H)+
SM 18:1;O2/24:0
ME193401
44260127
-
27.885
814.6963
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+
SM 18:1;O2/24:0
ME193402
44260127
-
27.872
814.6937
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME193503
46891735
-
23.032
643.5025
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME193504
46891735
-
23.005
643.5031
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS...
NAADP
ME193778
52942300
-
1.562
744.0668
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS...
NAADP
ME193779
52942300
-
1.393
744.0529
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+H)+
N-Acetyl-mannosamine
ME193726
53477792
-
0.719
221.092
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+
N-Acetyl-mannosamine
ME193727
53477792
-
0.712
221.0921
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]
Vitamin C
ME193480
54670067
-
1.068
176.0326
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+
-
ME193530
71309782
-
0.695
114.0617
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M+H)...
Bis-gamma-glutamylcystine
ME193500
90657696
-
0.937
498.1135
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