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Return to study ST000758 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
ME209908
47
-
4.279
130.0629
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-
Ketoleucine
ME209951
70
-
4.685
130.0628
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-
Ketoleucine
ME209952
70
-
4.685
130.0628
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)-
3-Hydroxybenzaldehyde
ME209936
101
-
4.992
122.0368
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M-H)+
DL-O-Phosphoserine
ME210149
106
-
1.018
185.0086
3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)-
3-Sulfino-alanine
ME209943
109
-
0.687
153.0107
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)-
4-Hydroxybenzaldehyde
ME209948
126
-
4.995
122.0368
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-
4-Hydroxyphenyl acetate
ME209950
127
-
4.712
152.0463
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-
4-Hydroxybenzoic acid
ME209949
135
-
4.135
138.0313
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-
5-Aminopentanoic acid
ME209960
138
-
0.866
117.0781
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-
Adipic acid
ME209967
196
-
3.58
146.0583
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
2-Aminobenzoic acid
ME210101
227
-
5.376
138.0444
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)-
Benzaldehyde
ME209982
240
-
4.712
106.0424
BENZOATE (CAS# 65-85-0); (M-H)-
Benzoic acid
ME209983
243
-
4.995
122.0368
CATECHOL (CAS# 120-80-9); (M-H)-
Pyrocatechol
ME209993
289
-
2.491
110.0369
CELLOBIOSE (CAS# 528-50-7); (M+CL)-
Cellobiose
ME209994
294
-
0.697
342.1185
CITRATE (CAS# 77-92-9); (M-H)-
Citric acid
ME210005
311
-
1.044
192.0275
SALICYLATE (CAS# 69-72-7); (M-H)-
Salicylic acid
ME210187
338
-
8.267
138.0315
4-NITROPHENYL PHOSPHATE (CAS# 330-13-2); (M-H)-
4-Nitrophenyl phosphate
ME209954
378
-
2.581
218.9913
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-
Caprylic acid
ME209991
379
-
10.099
144.1146
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-
Pimelic acid
ME209965
385
-
5.708
160.0727
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-...
-
ME210074
451
-
1.049
589.0845
HIPPURATE (CAS# 495-69-2); (M-H)-
Hippuric acid
ME210078
464
-
4.815
179.058
METHYLMALONATE (CAS# 516-05-2); (M-H)-
Methylmalonic acid
ME210122
487
-
1.403
118.0272
CREATINE (CAS# 57-00-1); (M-H)-
Creatine
ME210013
586
-
0.69
131.0689
SERINE (CAS# 56-45-1); (M-H)-
Serine
ME210190
617
-
0.641
105.0432
DIACETYL (CAS# 431-03-8); (M+HCOO)-
Diacetyl
ME210038
650
-
2.065
86.0368
GLUTARATE (CAS# 110-94-1); (M-H)-
Glutaric acid
ME210067
743
-
2.065
132.0423
GUANINE (CAS# 73-40-5); (M-H)-
Guanine
ME210073
764
-
0.744
151.0506
HYPOXANTHINE (CAS# 68-94-0); (M-H)-
Hypoxanthine
ME210080
790
-
1.318
136.0375
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-
Indoleacetic acid
ME210082
802
-
8.425
175.0619
ITACONATE (CAS# 97-65-4); (M-H)-
Itaconic acid
ME210087
811
-
1.653
130.0275
3-(2-HYDROXYPHENYL)PROPANOATE (CAS# 495-78-3); (M-...
3-(2-Hydroxyphenyl)propanoic acid
ME209933
873
-
7.893
166.0619
NICOTINATE (CAS# 59-67-6); (M-H)-
Nicotinic acid
ME210146
938
-
1.049
123.0319
OROTATE (CAS# 65-86-1); (M-H)-
Orotic acid
ME210153
967
-
0.896
156.0159
OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O]
Oxaloacetic acid
ME210154
970
-
0.856
132.0046
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
4-Nitrophenol
ME209953
980
-
7.091
139.0265
PALMITATE (CAS# 57-10-3); (M-H)-
Palmitic acid
ME210157
985
-
22.878
256.2403
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-
Phenylpyruvic acid
ME210166
997
-
5.376
164.0463
PHENYL ACETATE (CAS# 122-79-2); (M-H)-
Phenyl acetate
ME210164
999
-
3.928
136.0514
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
Phenyl acetate
ME210163
999
-
3.845
136.0518
PHTHALATE (CAS# 88-99-3); (M-H)-
Phthalic acid
ME210167
1017
-
4.833
166.0269
PICOLINIC ACID (CAS# 98-98-6); (M-H)-
Picolinic acid
ME210169
1018
-
1.049
123.0319
PURINE (CAS# 120-73-0); (M-H)-
Purine
ME210174
1044
-
1.581
120.0436
PYRUVATE (CAS# 127-17-3); (M-H)-
Pyruvic acid
ME210175
1060
-
0.66
88.0169
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-
N-Acetylglycine
ME210138
1097
-
0.928
117.0429
SUCCINATE (CAS# 110-15-6); (M-H)-
Succinic acid
ME210196
1110
-
1.33
118.0272
TAURINE (CAS# 107-35-7); (M-H)-
Taurine
ME210199
1123
-
0.662
125.0157
THYMINE (CAS# 65-71-4); (M-H)-
Thymine
ME210209
1135
-
1.803
126.0419
URACIL (CAS# 66-22-8); (M-H)-
Uracil
ME210221
1174
-
0.713
112.0269
URATE (CAS# 69-93-2); (M-H)-
Uric acid
ME210223
1175
-
1.055
168.0289
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...
3-Hydroxymethylglutaric acid
ME209935
1662
-
1.622
162.0521
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-
5-Hydroxyindoleacetic acid
ME209961
1826
-
4.072
191.0601
AZELAIC ACID (CAS# 123-99-9); (M-H)-
Azelaic acid
ME209980
2266
-
10.773
188.1042
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-
sn-Glycero-2-phosphate
ME210070
2526
-
0.956
172.0141
DECANOATE (CAS# 334-48-5); (M-H)-
Capric acid
ME210028
2969
-
19.889
172.1455
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME209947
3845
-
4.962
189.0415
LAURIC ACID (CAS# 143-07-7); (M-H)-
Lauric acid
ME210104
3893
-
21.805
200.1765
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-
N-Methyl-D-aspartic acid
ME210142
4376
-
0.708
147.0541
SEBACIC ACID (CAS# 111-20-6); (M-H)-
Sebacic acid
ME210189
5192
-
12.992
202.1199
STEARATE (CAS# 57-11-4); (M-H)-
Stearic acid
ME210194
5281
-
23.208
284.2716
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+HCOO)-
Cortisol 21-acetate
ME210011
5744
-
16.071
404.2184
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-
Corticosterone
ME210007
5753
-
15.449
346.2142
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-
Corticosterone
ME210008
5753
-
15.45
346.214
CORTISOL (CAS# 50-23-7); (M+CL)-
Cortisol
ME210009
5754
-
14.133
362.2115
CORTISOL (CAS# 50-23-7); (M+HCOO)-
Cortisol
ME210010
5754
-
13.904
362.2087
RIBOSE (CAS# 50-69-1); (M+CL)-
Ribose
ME210185
5779
-
0.72
150.0518
THYMIDINE (CAS# 50-89-5); (M+CL)-
Thymidine
ME210206
5789
-
2.782
242.0899
THYMIDINE (CAS# 50-89-5); (M-H)-
Thymidine
ME210208
5789
-
2.78
242.0896
THYMIDINE (CAS# 50-89-5); (M+HCOO)-
Thymidine
ME210207
5789
-
2.779
242.0897
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]
Glucose
ME210060
5793
-
0.7
180.0651
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O]
Glucose
ME210061
5793
-
0.707
180.064
GLUCOSE (CAS# 50-99-7); (M+CL)-
Glucose
ME210062
5793
-
0.66
180.0646
THYROXINE (CAS# 51-48-9); (M-H)-
Thyroxine
ME210210
5819
-
16.287
776.6864
ALDOSTERONE (CAS# 52-39-1); (M+HCOO)-
Aldosterone
ME209969
5839
-
12.859
360.1904
PENICILLAMINE (CAS# 52-67-5); (2M-H)+[-H2]
Penicillamine
ME210161
5852
-
1.618
149.0507
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-
Glucose 6-phosphate
ME210020
5958
-
0.84
260.0314
ASPARTATE (CAS# 56-84-8); (M-H)-
Aspartic acid
ME209979
5960
-
0.661
133.0387
GLUTAMINE (CAS# 56-85-9); (M-H)-
Glutamine
ME210066
5961
-
0.666
146.0699
LYSINE (CAS# 56-87-1); (M-H)-
Lysine
ME210111
5962
-
0.617
146.1044
FRUCTOSE (CAS# 57-48-7); (M+CL)-
Fructose
ME210049
5984
-
0.66
180.0646
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-
Fructose
ME210050
5984
-
0.653
180.0644
SUCROSE (CAS# 57-50-1); (M+CL)-
Sucrose
ME210197
5988
-
0.697
342.1185
SUCROSE (CAS# 57-50-1); (M+HCOO)-
Sucrose
ME210198
5988
-
0.707
342.1186
URIDINE (CAS# 58-96-8); (M+CL)-
Uridine
ME210224
6029
-
1.373
244.0692
URIDINE (CAS# 58-96-8); (M-H)-
Uridine
ME210226
6029
-
1.376
244.0699
URIDINE (CAS# 58-96-8); (M+HCOO)-
Uridine
ME210225
6029
-
1.376
244.0687
EDTA (CAS# 60-00-4); (M-H)-
Edetic acid
ME210042
6049
-
1.226
292.0888
TYROSINE (CAS# 60-18-4); (M-H)-
Tyrosine
ME210220
6057
-
1.365
181.0735
LEUCINE (CAS# 328-39-2); (M-H)-
Leucine
ME210105
6106
-
1.656
131.0941
PHENYLALANINE (CAS# 63-91-2); (M-H)-
Phenylalanine
ME210165
6140
-
2.532
165.0788
CYTIDINE (CAS# 65-46-3); (M+CL)-
Cytidine
ME210016
6175
-
0.774
243.0875
CYTIDINE (CAS# 65-46-3); (M-H)-
Cytidine
ME210017
6175
-
0.665
243.0852
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+CL)...
17alpha-Hydroxyprogesterone
ME209919
6238
-
17.799
330.2211
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+HCO...
17alpha-Hydroxyprogesterone
ME209920
6238
-
17.736
330.2174
D-ORNITHINE (CAS# 348-66-3); (M-H)-
D-Ornithine
ME210025
6262
-
0.667
132.0894
L-ORNITHINE (CAS# 70-26-8); (M-H)-
Ornithine
ME210096
6262
-
0.667
132.0894
L-HISTIDINE (CAS# 71-00-1); (M-H)-
Histidine
ME210094
6274
-
0.638
155.0695
VALINE (CAS# 72-18-4); (M-H)-
Valine
ME210230
6287
-
0.925
117.0781
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]
Threonine
ME210202
6288
-
0.769
119.0592
TRYPTOPHAN (CAS# 73-22-3); (2M-H)-
Tryptophan
ME210218
6305
-
3.659
204.088
TRYPTOPHAN (CAS# 73-22-3); (M-H)-
Tryptophan
ME210219
6305
-
3.661
204.0894
ISOLEUCINE (CAS# 73-32-5); (M-H)-
Isoleucine
ME210086
6306
-
1.641
131.0941
L-ARGININE (CAS# 74-79-3); (M-H)-
Arginine
ME210090
6322
-
0.634
174.1108
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-
Gibberellin A3
ME210055
6466
-
8.537
346.1412
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
Gibberellin A3
ME210056
6466
-
8.537
346.141
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-
Gibberellin A3
ME210057
6466
-
8.538
346.1419
QUINATE (CAS# 77-95-2); (M-H)-
Quinic acid
ME210176
6508
-
0.699
192.0643
PANTOTHENATE (CAS# 79-83-4); (M+CL)-
Pantothenic acid
ME210159
6613
-
3.272
219.1092
PANTOTHENATE (CAS# 79-83-4); (M-H)-
Pantothenic acid
ME210160
6613
-
3.274
219.1101
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-
4-Pyridoxic acid
ME209955
6723
-
1.92
183.0527
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)-
GMP
ME210075
6804
-
0.828
363.061
INOSINE 5'-DIPHOSPHATE (CAS# 86-04-4); (M-H)-
IDP
ME210083
6831
-
0.556
428.0112
1-HYDROXY-2-NAPHTHOATE (CAS# 86-48-6); (M-H)-
1-Hydroxy-2-naphthoate
ME209910
6844
-
15.819
188.046
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-
gamma-Butyrolactone
ME210053
7302
-
2.065
86.0368
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
Pyroglutamic acid
ME209963
7405
-
1.204
129.0433
3-HYDROXYBENZOATE (CAS# 99-06-9); (M-H)-
3-Hydroxybenzoic acid
ME209937
7420
-
5.093
138.0314
PENTANOATE (CAS# 109-52-4); (M+HCOO)-
Valeric acid
ME210162
7991
-
2.067
102.0673
NONANOATE (CAS# 112-05-0); (M-H)-
Pelargonic acid
ME210147
8158
-
18.414
158.1296
BEHENIC ACID (CAS# 112-85-6); (M-H)-
Behenic acid
ME209981
8215
-
24.138
340.3326
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M-H)-
IMP
ME210084
8582
-
1.094
348.0503
2-ETHYLHEXANOIC ACID (CAS# 0); (M-H)-
alpha-Ethylcaproic acid
ME209925
8697
-
15.908
144.1146
3-METHOXYTYROSINE (CAS# 4214-13-5); (M-H)-
3-Methoxytyrosine
ME209940
9307
-
1.9
211.0838
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...
Hydroxyphenyllactic acid
ME209934
9378
-
3.845
182.0572
CITRULLINE (CAS# 372-75-8); (M-H)-
Citrulline
ME210006
9750
-
0.668
175.096
LITHOCHOLIC ACID (CAS# 434-13-9); (M-H)-
Lithocholic acid
ME210110
9903
-
22.528
376.294
LITHOCHOLIC ACID (CAS# 434-13-9); (M+HCOO)-
Lithocholic acid
ME210109
9903
-
22.369
376.295
PROPYNOATE (CAS# 471-25-0); (M-H)-
Propynoic acid
ME210171
10110
-
0.86
70.0048
GLYCOCHOLATE (CAS# 475-31-0); (2M-H)-
Glycocholic acid
ME210071
10140
-
18.898
465.3069
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-
Glycocholic acid
ME210072
10140
-
18.905
465.3081
ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)...
Adenosine phosphosulfate
ME209966
10238
-
0.614
427.0162
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M-H)-
4-Quinolinecarboxylic acid
ME209956
10243
-
4.984
173.0473
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-
Salicyluric acid
ME210188
10253
-
6.261
195.0548
SUBERIC ACID (CAS# 505-48-6); (M-H)-
Suberic acid
ME210195
10457
-
8.289
174.0881
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
Margaric acid
ME210076
10465
-
23.041
270.2554
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-
Arachidic acid
ME209977
10467
-
23.624
312.3019
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-
Cerotic acid
ME210077
10469
-
25.743
396.3955
TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)-
Melissic acid
ME210213
10471
-
28.929
452.4572
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
Gluconic acid
ME210059
10690
-
0.938
196.059
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-
5-Valerolactone
ME209964
10953
-
1.933
100.0516
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
Myristic acid
ME210125
11005
-
22.482
228.2084
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-
Lignoceric acid
ME210107
11197
-
24.813
368.3646
2-HYDROXYBUTYRATE (CAS# ); (M-H)-
2-Hydroxybutyric acid
ME209928
11266
-
1.724
104.0478
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...
2-Hydroxy-4-(methylthio)butanoic acid
ME209927
11427
-
3.377
150.0351
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
Ethylmalonic acid
ME210047
11756
-
2.587
132.042
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M-H)-
Hydroxykynurenine
ME209938
11811
-
1.091
224.0789
MANDELIC ACID (CAS# 611-71-2); (M-H)-
Mandelic acid
ME210116
11914
-
5.717
152.0464
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
2-Methylglutaric acid
ME209929
12046
-
3.58
146.0583
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-
3-Hydroxyphenylacetic acid
ME209939
12122
-
8.76
152.0469
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-
Methylglutaric acid
ME209941
12284
-
3.58
146.0583
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-
3-Methyladipic acid
ME209942
12292
-
5.708
160.0727
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)-
Tridecylic acid
ME210217
12530
-
22.195
214.1919
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-
Deoxycytidine
ME210033
13711
-
0.992
227.0913
DEOXYCYTIDINE (CAS# 951-77-9); (M-H)-
Deoxycytidine
ME210034
13711
-
0.714
227.0902
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-
Deoxyuridine
ME210035
13712
-
1.631
228.0744
DEOXYURIDINE (CAS# 951-78-0); (M-H)-
Deoxyuridine
ME210037
13712
-
1.712
228.0736
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-
Deoxyuridine
ME210036
13712
-
1.674
228.0739
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-
1,2,3-Propanetricarboxylic acid
ME210214
14925
-
1.351
176.0316
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME210215
14925
-
1.283
176.0308
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...
Cycloheptanecarboxylic acid
ME210014
15091
-
10.777
142.0987
ADPGLUCOSE (CAS# ); (M-H)-
ADP-glucose
ME209968
16500
-
1.049
589.0845
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-
Tricosylic acid
ME210216
17085
-
24.444
354.3485
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-
4-Acetamidobutanoic acid
ME209944
18189
-
1.852
145.0726
NORLEUCINE (CAS# 327-57-1); (M-H)-
Norleucine
ME210148
21236
-
1.658
131.0941
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-
Rhamnose
ME210097
25310
-
0.864
164.0694
L-RHAMNOSE (CAS# 10030-85-0); (M-H)-
Rhamnose
ME210099
25310
-
0.994
164.0671
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-
Rhamnose
ME210098
25310
-
0.709
164.0677
URSODIOL (CAS# 128-13-2); (M-H)-
Ursodeoxycholic acid
ME210229
31401
-
21.719
392.2888
URSODIOL (CAS# 128-13-2); (M+HCOO)-
Ursodeoxycholic acid
ME210228
31401
-
21.627
392.2915
GLUTAMATE (CAS# 56-86-0); (M-H)-
Glutamic acid
ME210065
33032
-
0.708
147.0541
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
Glucaric acid
ME210058
33037
-
0.882
210.0393
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-
N-Acetylgalactosamine
ME210137
35717
-
0.705
221.0912
XANTHOSINE (CAS# 146-80-5); (M-H)-
Xanthosine
ME210231
64959
-
2.326
284.0745
2'-DEOXYINOSINE (CAS# 890-38-0); (M+CL)-
Deoxyinosine
ME209922
65058
-
1.816
252.0846
DUMP (CAS# 964-26-1); (M-H)-
dUMP
ME210041
65063
-
0.99
308.0396
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-
N-Acetylaspartic acid
ME210134
65065
-
0.824
175.0469
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-
N-Acetylserine
ME210132
65249
-
0.768
147.0541
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-
Glucose 1-phosphate
ME210063
65533
-
0.84
260.0314
D-LYXOSE (CAS# 1114-34-7); (M+CL)-
Lyxose
ME210021
65550
-
0.718
150.0518
D-LYXOSE (CAS# 1114-34-7); (M-H)-
Lyxose
ME210023
65550
-
0.704
150.0532
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-
Lyxose
ME210022
65550
-
0.83
150.0536
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-
Arabinose
ME210018
66308
-
0.938
150.0525
O-PHOSPHOSERINE (CAS# 407-41-0); (M-H)-
DL-O-Phosphoserine
ME210150
68841
-
1.044
185.0096
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-
1-Methyluric acid
ME209911
69726
-
2.241
182.0435
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-
Monomethyl glutaric acid
ME210124
73917
-
3.58
146.0583
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-
N-Acetylphenylalanine
ME210136
74839
-
7.732
207.0889
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-
N-Acetylleucine
ME210135
75619
-
7.18
173.1043
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
Glyceraldehyde
ME210068
79014
-
1.623
90.031
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H...
12-Hydroxy lauric acid
ME210152
79034
-
17.082
216.1713
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)...
MG 14:0
ME210177
79050
-
22.1
302.2447
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCO...
MG 14:0
ME210178
79050
-
21.949
302.2485
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-
Paracetamol sulfate
ME209945
83939
-
2.389
231.0184
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-
Galacturonic acid
ME210052
84740
-
0.68
194.0408
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
N-Acetylalanine
ME210133
88064
-
1.478
131.0578
D-PSICOSE (CAS# 551-68-8); (M+CL)-
Psicose
ME210026
90008
-
0.66
180.0646
D-TAGATOSE (CAS# 87-81-0); (M+CL)-
D-Tagatose
ME210027
90008
-
0.66
180.0646
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M-H)-
N(2)-Acetyllysine
ME210140
92907
-
0.621
188.1166
ARABITOL (CAS# 7643-75-6); (M+CL)-
Arabitol
ME209975
94154
-
0.682
152.07
ARABITOL (CAS# 7643-75-6); (M+HCOO)-
Arabitol
ME209976
94154
-
0.672
152.0677
RIBITOL (CAS# 488-81-3); (M+CL)-
Ribitol
ME210182
94154
-
0.682
152.07
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...
Methyl beta-D-galactoside
ME210120
94214
-
0.709
194.0793
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCO...
Methyl beta-D-galactoside
ME210121
94214
-
0.681
194.0794
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-
Glucuronic acid
ME210064
94715
-
0.68
194.0408
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85...
Anserine
ME209984
112072
-
0.64
240.1201
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-
24-epi-Brassinolide
ME210044
115196
-
19.86
480.345
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...
24-epi-Brassinolide
ME210045
115196
-
19.861
480.3456
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...
Galactose 1-phosphate
ME209972
123912
-
0.84
260.0314
XYLOSE (CAS# 58-86-6); (M+HCOO)-
Xylose
ME210232
135191
-
0.938
150.0536
L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O]
Gulonic acid
ME210091
152304
-
0.746
196.0567
L-GULONATE (CAS# 6322-07-2); (M-H)-
Gulonic acid
ME210093
152304
-
0.83
196.0591
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]
Gulonic acid
ME210092
152304
-
0.715
196.0593
NAPROXEN (CAS# 22204-53-1); (M-H)-
Naproxen
ME210144
156391
-
15.34
230.0934
KYNURENINE (CAS# 343-65-7); (M-H)-
Kynurenine
ME210089
161166
-
2.227
208.0833
PINITOL (CAS# 10284-63-6); (M+CL)-
Pinitol
ME210170
164619
-
0.709
194.0793
L-HISTIDINOL (CAS# 4836-52-6); (M-H)-
L-Histidinol
ME210095
165271
-
0.709
141.0889
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
Dehydroascorbic acid
ME210029
210328
-
0.964
174.0168
CHOLATE (CAS# 81-25-4); (2M-H)-
Cholic acid
ME209995
221493
-
20.384
408.2861
CHOLATE (CAS# 81-25-4); (M+CL)-
Cholic acid
ME209996
221493
-
20.382
408.2842
CHOLATE (CAS# 81-25-4); (M-H)-
Cholic acid
ME209997
221493
-
20.382
408.2871
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)-
Deoxycholic acid
ME210030
222528
-
21.627
392.2914
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)-
Deoxycholic acid
ME210031
222528
-
21.691
392.2925
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-
Deoxycholic acid
ME210032
222528
-
21.744
392.2911
MALATE (CAS# 97-67-6); (M-H)-
Malic acid
ME210112
222656
-
0.768
134.0225
CORTISONE (CAS# 53-06-5); (M+HCOO)-
Cortisone
ME210012
222786
-
13.5
360.1936
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-
S-Adenosylhomocysteine
ME210186
439155
-
1.4
384.125
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
5'-Methylthioadenosine
ME209958
439176
-
4.531
297.089
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-
5'-Methylthioadenosine
ME209959
439176
-
4.528
297.0882
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-
5'-Deoxyadenosine
ME209957
439182
-
3.058
251.0998
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]
Maltose
ME209985
439186
-
0.712
342.1133
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME209986
439186
-
0.697
342.1185
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME209987
439186
-
0.707
342.1186
MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME210114
439186
-
0.697
342.1185
MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME210115
439186
-
0.707
342.1186
GLYCERATE (CAS# 473-81-4); (M-H)-
Glyceric acid
ME210069
439194
-
0.701
106.0276
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
N-Acetylneuraminic acid
ME210139
439197
-
0.696
309.106
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-
Mannose 6-phosphate
ME210117
439198
-
0.84
260.0314
CARNOSINE (CAS# 305-84-0); (M-H)-
Carnosine
ME209992
439224
-
0.661
226.1048
MEVALONIC ACID (CAS# 674-26-0); (M-H)-
Mevalonic acid
ME210123
439230
-
1.904
148.0723
RAFFINOSE (CAS# 512-69-6); (M+CL)-
Raffinose
ME210179
439242
-
0.707
504.1658
RAFFINOSE (CAS# 512-69-6); (M+HCOO)-
Raffinose
ME210180
439242
-
0.672
504.1706
CYSTATHIONINE (CAS# 56-88-2); (M-H)-
Cystathionine
ME210015
439258
-
0.692
222.0692
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-
2-Deoxy-glucose
ME209923
439268
-
0.864
164.0694
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-
2-Deoxy-glucose
ME209924
439268
-
0.709
164.0679
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-
5-Hydroxy-tryptophan
ME209962
439280
-
1.793
220.0831
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME210191
439285
-
0.666
257.1021
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME210192
439285
-
0.833
257.1026
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
Allose
ME209971
439507
-
1.623
180.0638
STACHYOSE (CAS# 54261-98-2); (M+CL)-
Stachyose
ME210193
439531
-
0.712
666.2189
PALATINOSE (CAS# 343336-76-5); (M+CL)-
Palatinose
ME210155
439559
-
0.697
342.1185
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-
Palatinose
ME210156
439559
-
0.707
342.1186
ALLANTOIN (CAS# 97-59-6); (M-H)-
Allantoin
ME209970
439714
-
0.686
158.0449
TAUROLITHOCHOLATE (CAS# 516-90-5); (2M-H)-
Taurolithocholic acid
ME210200
439763
-
21.524
483.2997
TAUROLITHOCHOLATE (CAS# 516-90-5); (M-H)-
Taurolithocholic acid
ME210201
439763
-
21.507
483.299
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-
N-Acetyl-D-tryptophan
ME210130
439917
-
7.997
246.0998
MELIBIOSE (CAS# 585-99-9); (M+CL)-
Melibiose
ME210118
440658
-
0.697
342.1185
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-
Melibiose
ME210119
440658
-
0.707
342.1186
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-
11-Deoxycortisol
ME209914
440707
-
15.449
346.2142
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-
11-Deoxycortisol
ME209915
440707
-
15.45
346.214
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H...
2-Hydroxyisobutyric acid
ME209973
440873
-
1.718
104.0478
LACTOSE (CAS# 63-42-3); (M+CL)-
Lactose
ME210102
440995
-
0.697
342.1185
LACTOSE (CAS# 63-42-3); (M-H)-
Lactose
ME210103
440995
-
0.714
342.1155
CITRAMALATE (CAS# 2306-22-1); (M-H)-
Citramalic acid
ME210004
441696
-
1.418
148.0374
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
trans-Aconitic acid
ME210211
444212
-
1.195
174.0171
MALEIC ACID (CAS# 110-16-7); (M-H)-
Maleic acid
ME210113
444266
-
0.831
116.0121
CINNAMIC ACID (CAS# 140-10-3); (M-H)-
trans-Cinnamic acid
ME209998
444539
-
11.59
148.052
RETINOATE (CAS# 302-79-4); (M-H)-
Retinoic acid
ME210181
444795
-
22.324
300.2101
ARACHIDONATE (CAS# 506-32-1); (M-H)-
Arachidonic acid
ME209978
444899
-
22.74
304.2404
FUMARATE (CAS# 110-17-8); (M-H)-
Fumaric acid
ME210051
444972
-
1.273
116.0118
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-
Docosahexaenoic acid
ME210040
445580
-
22.709
328.2403
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
Palmitoleic acid
ME210158
445638
-
22.614
254.2246
OLEIC ACID (CAS# 112-80-1); (M-H)-
Oleic acid
ME210151
445639
-
22.958
282.2559
FERULATE (CAS# 1135-24-6); (M-H)-
trans-Ferulic acid
ME210048
445858
-
8.035
194.0576
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-
N-Acetylglucosamine
ME210127
446101
-
0.705
221.0912
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+HCOO)-
N-Acetylglucosamine
ME210128
446101
-
0.665
221.0879
DIETHYLSTILBESTROL (CAS# 56-53-1); (M-H)-
Diethylstilbestrol
ME210039
448537
-
18.731
268.144
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
N-Acetylmethionine
ME210131
448580
-
4.064
191.0609
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-
trans-Zeatin
ME210233
449093
-
3.933
219.1115
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-
trans-Zeatin
ME210234
449093
-
3.934
219.1117
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-
LPC 16:0
ME209916
460602
-
22.249
495.3318
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
LPC 16:0
ME209917
460602
-
22.246
495.3323
RIBOFLAVIN (CAS# 83-88-5); (M-H)-
Riboflavin
ME210184
493570
-
7.667
376.1386
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-
Riboflavin
ME210183
493570
-
7.658
376.1394
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
Elaidic acid
ME210043
637517
-
22.958
282.2559
4-COUMARATE (CAS# 501-98-4); (M-H)-
cis-p-Coumaric acid
ME209946
637542
-
7.012
164.0461
CIS-ACONITATE (CAS# 585-84-2); (M-H)-
cis-Aconitic acid
ME210000
643757
-
1.288
174.0171
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-
Citraconic acid
ME209930
643798
-
2.215
130.0275
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
cis-Zeatin
ME210002
688597
-
3.933
219.1115
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
cis-Zeatin
ME210003
688597
-
3.934
219.1117
UROCANATE (CAS# 104-98-3); (M-H)-
Urocanic acid
ME210227
736715
-
0.97
138.0434
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME209926
853180
-
3.366
118.0629
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-
4,5-Dihydroorotic acid
ME209909
1149667
-
0.864
158.0322
D-GALACTOSAMINE (CAS# 7535-00-4); (M+HCOO)-
Galactosamine
ME210019
3034366
-
0.63
179.0803
D-MANNOSAMINE (CAS# 14307-02-9); (M+HCOO)-
2-Amino-2-deoxy-D-mannose
ME210024
3034366
-
0.63
179.0803
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)-
PGE2
ME210172
5280360
-
16.942
352.2238
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-
PGE2
ME210173
5280360
-
16.823
352.2238
LINOLEATE (CAS# 60-33-3); (M-H)-
Linoleic acid
ME210108
5280450
-
22.758
280.2403
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-
LTB4
ME210106
5280492
-
20.598
336.2297
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
gamma-Linolenic acid
ME210054
5280933
-
22.852
278.2219
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
alpha-Linolenic acid
ME209974
5280934
-
22.857
278.2219
ERUCIC ACID (CAS# 112-86-7); (M-H)-
cis-Erucic acid
ME210046
5281116
-
23.7
338.3174
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-
Myristoleic acid
ME210126
5281119
-
22.145
226.1924
NERVONIC ACID (CAS# 506-37-6); (M-H)-
Nervonic acid
ME210145
5281120
-
24.218
366.3491
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
trans-Vaccenic acid
ME210212
5281127
-
22.958
282.2559
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-
Jasmonic acid
ME210088
5281166
-
13.189
210.1243
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
cis-Vaccenic acid
ME210001
5282761
-
22.958
282.2559
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-
cis-Gondoic acid
ME209999
5282768
-
23.288
310.2872
THROMBOXANE B2 (CAS# 54397-85-2); (M+CL)-
TXB2
ME210203
5283137
-
16.664
370.2382
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-
TXB2
ME210204
5283137
-
16.629
370.2345
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]
TXB2
ME210205
5283137
-
16.824
370.2343
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-
MG 18:1
ME209912
5283468
-
22.672
356.2901
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
Hyodeoxycholic acid
ME210079
5283820
-
22.892
392.2944
ISOCITRATE (CAS# 320-77-4); (M-H)-
Isocitric acid
ME210085
5318532
-
0.808
192.028
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)-
N-Oleoyl glycine
ME210143
6436908
-
22.696
339.2766
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)-
Uracil-5-carboxylic acid
ME210222
6971263
-
0.995
156.0159
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-
10-Hydroxydecanoic acid
ME209913
6991989
-
13.586
188.1403
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
LPE 18:0
ME209921
9547068
-
22.66
481.3151
PHYTANATE (CAS# 14721-66-5); (M-H)-
Phytanic acid
ME210168
10380830
-
23.274
312.3001
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (2M-H...
-
ME210081
10444113
-
13.018
236.1062
BIOTIN (CAS# 58-85-5); (M-H)-
Biotin
ME209988
11966127
-
6.22
244.0878
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+HCOO)-
Glucosamine
ME210141
13998612
-
3.635
279.132
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
Tryptophan
ME210100
16217285
-
3.661
206.0854
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-
PC 16:0_18:0
ME209918
18631368
-
25.401
761.5863
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-
LPC 20:0
ME209931
24779473
-
22.812
551.3957
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-
LPC 20:0
ME209932
24779473
-
23.174
551.3916
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME209989
46891735
-
23.204
643.4996
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME209990
46891735
-
22.998
643.4988
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-
N-Acetyl-mannosamine
ME210129
53477792
-
0.705
221.0912
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M+H)+[-H2O]
2-Oxoglutaric acid
ME210324
51
-
1.034
146.0206
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)...
Ketoleucine
ME210287
70
-
4.675
130.0629
3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+
3-Hydroxyanthranilic acid
ME210268
86
-
2.935
153.0432
ACETOACETATE (CAS# 541-50-4); (M+H)+
Acetoacetic acid
ME210309
96
-
2.612
102.0315
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O...
3-Hydroxybenzaldehyde
ME210269
101
-
4.82
122.0373
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M+H)+
4-Hydroxybenzaldehyde
ME210285
126
-
5.008
122.038
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+
4-Hydroxyphenyl acetate
ME210286
127
-
4.686
152.0459
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+
5-Amino-levulinic acid
ME210295
137
-
0.657
131.0581
5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+
5-Amino-levulinic acid
ME210296
137
-
0.655
131.0573
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+
5-Aminopentanoic acid
ME210297
138
-
0.741
117.0789
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+
N-Acetylglutamic acid
ME210533
185
-
1.314
189.0647
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...
N-Acetylglutamic acid
ME210534
185
-
1.31
189.0649
ACETYLCHOLINE (CAS# 51-84-3); M+
Acetylcholine
ME210311
187
-
3.889
146.1181
ADENINE (CAS# 73-24-5); (M+H)+
Adenine
ME210312
190
-
0.988
135.0544
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+
Adipic acid
ME210316
196
-
3.559
146.0583
BETA-ALANINE (CAS# 107-95-9); (M+H)+
beta-Alanine
ME210335
239
-
0.703
89.0477
BENZOATE (CAS# 65-85-0); (M+H)+
Benzoic acid
ME210334
243
-
5.008
122.038
BETAINE (CAS# 107-43-7); (M+H)+
Betaine
ME210338
247
-
0.738
117.0789
BETAINE (CAS# 107-43-7); (M+NA)+
Betaine
ME210339
247
-
0.58
117.0785
CELLOBIOSE (CAS# 528-50-7); (M+NA)+
Cellobiose
ME210349
294
-
0.708
342.1165
CHOLINE (CAS# 62-49-7); M+
Choline
ME210356
305
-
0.684
104.1068
CITRATE (CAS# 77-92-9); (M+NA)+
Citric acid
ME210363
311
-
1.049
192.0262
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+
Pimelic acid
ME210305
385
-
5.715
160.0738
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+H)+
1H-Indole-3-acetamide
ME210473
397
-
5.783
174.0797
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+NA)+
1H-Indole-3-acetamide
ME210474
397
-
5.813
174.0803
HIPPURATE (CAS# 495-69-2); (M+H)+
Hippuric acid
ME210460
464
-
4.82
179.0591
HIPPURATE (CAS# 495-69-2); (M+NA)+
Hippuric acid
ME210461
464
-
4.82
179.0586
4-GUANIDINOBUTANOATE (CAS# 463-00-3 ); (M+H)+
4-Guanidinobutanoic acid
ME210281
500
-
0.898
145.0862
CREATINE (CAS# 57-00-1); (M+H)+
Creatine
ME210372
586
-
0.702
131.0692
CREATININE (CAS# 60-27-5); (M+H)+
Creatinine
ME210373
588
-
0.689
113.0582
CREATININE (CAS# 60-27-5); (M+NA)+
Creatinine
ME210374
588
-
0.696
113.0592
CYTOSINE (CAS# 71-30-7); (M+H)+
Cytosine
ME210379
597
-
0.738
111.0434
CYTOSINE (CAS# 71-30-7); (M+NA)+
Cytosine
ME210380
597
-
0.722
111.0438
SERINE (CAS# 56-45-1); (M+H)+
Serine
ME210632
617
-
0.969
105.0422
ETHANOLAMINE (CAS# 141-43-5); (2M+NA)+[-H2O]
Ethanolamine
ME210425
700
-
0.72
61.0527
ETHANOLAMINE (CAS# 141-43-5); (M+NA)+
Ethanolamine
ME210426
700
-
0.656
61.0531
GLUTARATE (CAS# 110-94-1); (M+NA)+
Glutaric acid
ME210445
743
-
2.059
132.0416
GUANINE (CAS# 73-40-5); (M+H)+
Guanine
ME210458
764
-
1.01
151.0487
HISTAMINE (CAS# 51-45-6); (M+H)+
Histamine
ME210462
774
-
0.551
111.0798
HISTAMINE (CAS# 51-45-6); (M+NA)+
Histamine
ME210463
774
-
0.697
111.0794
HOMOGENTISATE (CAS# 451-13-8); (M+H)+
Homogentisic acid
ME210466
780
-
2.13
168.0408
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+
Indoleacetaldehyde
ME210472
800
-
1.864
159.0686
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+
Indoleacetic acid
ME210475
802
-
8.449
175.0634
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+
Indoleacetic acid
ME210476
802
-
8.449
175.0646
PIPECOLATE (CAS# 535-75-1); (M+H)+
Pipecolic acid
ME210603
849
-
0.686
129.0791
PIPECOLATE (CAS# 535-75-1); (M+NA)+
Pipecolic acid
ME210604
849
-
0.627
129.0787
LIPOAMIDE (CAS# 940-69-2); (M+NA)+
Lipoamide
ME210505
863
-
10.436
205.0575
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+
Myo-inositol
ME210523
892
-
0.66
180.0633
MELATONIN (CAS# 73-31-4); (M+NA)+
Melatonin
ME210514
896
-
8.625
232.1221
N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+H)+
N-Acetylserotonin
ME210554
903
-
5.242
218.1046
N-ACETYLSEROTONIN (CAS# 1210-83-9); (M+H)+
N-Acetylserotonin
ME210555
903
-
5.031
218.105
N-ACETYLSEROTONIN (CAS# 1210-83-9); (M+NA)+
N-Acetylserotonin
ME210556
903
-
5.026
218.1074
NICOTINAMIDE (CAS# 98-92-0); (M+H)+
Niacinamide
ME210566
936
-
1.128
122.0474
NICOTINATE (CAS# 59-67-6); (M+H)+
Nicotinic acid
ME210568
938
-
1.052
123.0324
NORADRENALINE (CAS# 51-41-2); (M+H)+
Xi-Norepinephrine
ME210570
951
-
0.733
169.074
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]
Xi-Norepinephrine
ME210571
951
-
0.775
169.0731
PHENYL ACETATE (CAS# 122-79-2); (M+H)+
Phenyl acetate
ME210595
999
-
3.808
136.0536
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+
Choline phosphate
ME210357
1014
-
0.862
183.0651
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+
Choline phosphate
ME210358
1014
-
0.66
183.0668
PHTHALATE (CAS# 88-99-3); (M+NA)+
Phthalic acid
ME210600
1017
-
4.82
166.026
PICOLINIC ACID (CAS# 98-98-6); (M+H)+
Picolinic acid
ME210601
1018
-
1.05
123.0324
PURINE (CAS# 120-73-0); (M+H)+
Purine
ME210615
1044
-
1.332
120.0438
PURINE (CAS# 120-73-0); (M+NA)+
Purine
ME210616
1044
-
1.393
120.043
PYRIDOXAL (CAS# 66-72-8); (M+H)+
Pyridoxal
ME210617
1050
-
1.371
167.0567
PYRIDOXINE (CAS# 65-23-6); (M+H)+
Pyridoxine
ME210618
1054
-
1.069
169.0752
SARCOSINE (CAS# 107-97-1); (M+H)+
Sarcosine
ME210628
1088
-
0.703
89.0477
N-ACETYLGLYCINE (CAS# 543-24-8); (M+NA)+
N-Acetylglycine
ME210551
1097
-
1.182
117.0437
SPERMIDINE (CAS# 124-20-9); (M+H)+
Spermidine
ME210636
1102
-
0.567
145.1574
TAURINE (CAS# 107-35-7); (M+NA)+
Taurine
ME210644
1123
-
0.674
125.0135
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+
Trimethylamine
ME210667
1146
-
0.716
59.0734
URATE (CAS# 69-93-2); (M+H)+
Uric acid
ME210674
1175
-
1.06
168.0287
XANTHINE (CAS# 69-89-6); (M+H)+
Xanthine
ME210681
1188
-
1.048
152.0329
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...
3-Hydroxymethylglutaric acid
ME210267
1662
-
1.738
162.0514
HOMOVANILLATE (CAS# 306-08-1); (M+H)+
Homovanillic acid
ME210468
1738
-
5.694
182.0567
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+NA)+
5-Hydroxyindoleacetic acid
ME210298
1826
-
4.329
191.0576
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)...
Acetaminophen
ME210308
1983
-
2.905
151.062
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+
Theophylline
ME210657
2153
-
4.203
180.0642
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O]
Azelaic acid
ME210332
2266
-
10.776
188.1032
AZELAIC ACID (CAS# 123-99-9); (M+NA)+
Azelaic acid
ME210333
2266
-
10.776
188.1059
CAFFEINE (CAS# 58-08-2); (M+NA)+
Caffeine
ME210346
2519
-
5.637
194.0812
DECANOATE (CAS# 334-48-5); (2M+NA)+
Capric acid
ME210395
2969
-
22.837
172.1456
FLUCYTOSINE (CAS# 2022-85-7); (M+H)+
Flucytosine
ME210429
3366
-
0.667
129.035
KYNURENIC ACID (CAS# 492-27-3); (M+H)+
Kynurenic acid
ME210483
3845
-
4.964
189.0431
KYNURENIC ACID (CAS# 492-27-3); (M+NA)+
Kynurenic acid
ME210484
3845
-
4.921
189.0423
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+
N-Methyl-D-aspartic acid
ME210560
4376
-
0.67
147.0537
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+
N-Methyl-D-aspartic acid
ME210561
4376
-
0.69
147.0518
6-HYDROXYDOPAMINE (CAS# 0); (2M+H)+[-H2O]
6-Hydroxydopamine
ME210306
4624
-
2.049
169.0738
PARAXANTHINE (CAS# 611-59-6); (M+NA)+
Paraxanthine
ME210593
4687
-
4.239
180.0642
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+
Protoporphyrin
ME210613
4971
-
22.956
562.2577
SEBACIC ACID (CAS# 111-20-6); (M+NA)+
Sebacic acid
ME210629
5192
-
13.016
202.1224
SEROTONIN (CAS# 50-67-9); (M+H)+
Serotonin
ME210633
5202
-
1.861
176.0946
THEOBROMINE (CAS# 83-67-0); (M+NA)+
Theobromine
ME210656
5429
-
3.409
180.0639
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+
Xanthurenic acid
ME210684
5699
-
4.605
205.0382
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+
Cortisol 21-acetate
ME210369
5744
-
15.986
404.2162
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+NA)+
Cortisol 21-acetate
ME210370
5744
-
15.78
404.223
CORTICOSTERONE (CAS# 50-22-6); (M+H)+
Corticosterone
ME210366
5753
-
15.449
346.2132
CORTICOSTERONE (CAS# 50-22-6); (M+NA)+
Corticosterone
ME210367
5753
-
15.45
346.2148
CORTISOL (CAS# 50-23-7); (M+NA)+
Cortisol
ME210368
5754
-
13.693
362.206
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+
beta-Estradiol
ME210423
5757
-
16.286
272.1772
RIBOSE (CAS# 50-69-1); (M+NA)+
Ribose
ME210626
5779
-
0.722
150.0521
THYMIDINE (CAS# 50-89-5); (M+H)+
Thymidine
ME210661
5789
-
2.614
242.0911
THYMIDINE (CAS# 50-89-5); (M+NA)+
Thymidine
ME210662
5789
-
2.776
242.0899
GLUCOSE (CAS# 50-99-7); (2M+NA)+
Glucose
ME210439
5793
-
0.684
180.0619
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]
Glucose
ME210440
5793
-
0.708
180.0638
GLUCOSE (CAS# 50-99-7); (M+NA)+
Glucose
ME210441
5793
-
0.662
180.0629
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+
trans-4-Hydroxyproline
ME210665
5810
-
0.657
131.0581
THYROXINE (CAS# 51-48-9); (M+H)+
Thyroxine
ME210664
5819
-
16.272
776.6902
ALDOSTERONE (CAS# 52-39-1); (M+H)+
Aldosterone
ME210319
5839
-
12.986
360.1957
ALDOSTERONE (CAS# 52-39-1); (M+NA)+
Aldosterone
ME210320
5839
-
12.402
360.1968
PENICILLAMINE (CAS# 52-67-5); (2M+H)+[-H2]
Penicillamine
ME210594
5852
-
1.246
149.0501
ESTRONE (CAS# 53-16-7); (M+H)+
Estrone
ME210424
5870
-
16.399
270.1602
3BETA-HYDROXYANDROST-5-EN-17-ONE (CAS# 53-43-0); (...
Dehydroepiandrosterone
ME210277
5881
-
17.355
288.2067
ALANINE (CAS# 56-41-7); (M+H)+
Alanine
ME210318
5950
-
1.316
89.0478
DEOXYCORTICOSTERONE ACETATE (CAS# 56-47-3); (M+NA)...
Deoxycorticosterone acetate
ME210400
5952
-
19.38
372.2314
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+
Glucose 6-phosphate
ME210388
5958
-
0.92
260.0303
ASPARTATE (CAS# 56-84-8); (M+H)+
Aspartic acid
ME210330
5960
-
0.895
133.0371
ASPARTATE (CAS# 56-84-8); (M+NA)+
Aspartic acid
ME210331
5960
-
0.654
133.0388
GLUTAMINE (CAS# 56-85-9); (M+NA)+
Glutamine
ME210444
5961
-
0.638
146.0684
LYSINE (CAS# 56-87-1); (M+H)+
Lysine
ME210507
5962
-
0.556
146.1054
LYSINE (CAS# 56-87-1); (M+NA)+
Lysine
ME210508
5962
-
0.57
146.1045
FRUCTOSE (CAS# 57-48-7); (M+NA)+
Fructose
ME210430
5984
-
0.662
180.0629
SUCROSE (CAS# 57-50-1); (M+NA)+
Sucrose
ME210643
5988
-
0.708
342.1165
PROGESTERONE (CAS# 57-83-0); (M+H)+
Progesterone
ME210606
5994
-
19.845
314.2217
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]
Cholesterol
ME210354
5997
-
24.643
386.355
URIDINE (CAS# 58-96-8); (M+H)+
Uridine
ME210675
6029
-
1.315
244.0689
URIDINE (CAS# 58-96-8); (M+NA)+
Uridine
ME210676
6029
-
1.317
244.0674
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+
2-Hydroxyquinoline
ME210619
6038
-
7.817
145.0526
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+
2-Hydroxyquinoline
ME210620
6038
-
7.818
145.0528
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+
Phenylephrine
ME210598
6041
-
1.275
167.0956
EDTA (CAS# 60-00-4); (M+NA)+
Edetic acid
ME210413
6049
-
0.948
292.0931
TYROSINE (CAS# 60-18-4); (M+H)+
Tyrosine
ME210672
6057
-
1.36
181.0734
TYROSINE (CAS# 60-18-4); (M+NA)+
Tyrosine
ME210673
6057
-
1.364
181.0723
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+
AMP
ME210314
6083
-
0.69
347.0639
LEUCINE (CAS# 328-39-2); (M+H)+
Leucine
ME210499
6106
-
1.618
131.0947
LEUCINE (CAS# 328-39-2); (M+NA)+
Leucine
ME210500
6106
-
1.554
131.0937
METHIONINE (CAS# 63-68-3); (M+H)+
Methionine
ME210516
6137
-
1.016
149.0515
PHENYLALANINE (CAS# 63-91-2); (M+H)+
Phenylalanine
ME210596
6140
-
2.487
165.0785
PHENYLALANINE (CAS# 63-91-2); (M+NA)+
Phenylalanine
ME210597
6140
-
2.644
165.0804
11-DEOXYCORTICOSTERONE (CAS# 64-85-7); (M+H)+
11-Deoxycorticosterone
ME210245
6166
-
17.236
330.2173
CYTIDINE (CAS# 65-46-3); (2M+H)+
Cytidine
ME210377
6175
-
0.914
243.0876
CYTIDINE (CAS# 65-46-3); (M+H)+
Cytidine
ME210378
6175
-
0.891
243.0863
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+NA)...
17alpha-Hydroxyprogesterone
ME210250
6238
-
17.652
330.2224
MANNITOL (CAS# 69-65-8); (M+NA)+
Mannitol
ME210512
6251
-
0.696
182.0781
D-ORNITHINE (CAS# 348-66-3); (M+H)+
D-Ornithine
ME210393
6262
-
0.556
132.0898
L-ORNITHINE (CAS# 70-26-8); (M+H)+
Ornithine
ME210493
6262
-
0.556
132.0898
ASPARAGINE (CAS# 70-47-3); (M+NA)+
Asparagine
ME210329
6267
-
0.911
132.0534
L-HISTIDINE (CAS# 71-00-1); (M+H)+
Histidine
ME210491
6274
-
0.647
155.0692
L-HISTIDINE (CAS# 71-00-1); (M+NA)+
Histidine
ME210492
6274
-
0.633
155.0706
VALINE (CAS# 72-18-4); (M+H)+
Valine
ME210679
6287
-
0.894
117.0793
VALINE (CAS# 72-18-4); (M+NA)+
Valine
ME210680
6287
-
0.581
117.0785
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]
Threonine
ME210658
6288
-
0.909
119.0578
TRYPTOPHAN (CAS# 73-22-3); (M+H)+
Tryptophan
ME210668
6305
-
3.664
204.0897
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+
Tryptophan
ME210669
6305
-
3.665
204.0896
ISOLEUCINE (CAS# 73-32-5); (M+H)+
Isoleucine
ME210479
6306
-
1.613
131.0947
ISOLEUCINE (CAS# 73-32-5); (M+NA)+
Isoleucine
ME210480
6306
-
1.554
131.0937
L-ARGININE (CAS# 74-79-3); (M+H)+
Arginine
ME210488
6322
-
0.636
174.1106
L-ARGININE (CAS# 74-79-3); (M+NA)+
Arginine
ME210489
6322
-
0.622
174.1116
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M+NA)+
Gibberellin A3
ME210435
6466
-
8.542
346.1383
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+
Gibberellin A3
ME210436
6466
-
8.541
346.1431
PANTOTHENATE (CAS# 79-83-4); (M+H)+
Pantothenic acid
ME210591
6613
-
3.272
219.1103
PANTOTHENATE (CAS# 79-83-4); (M+NA)+
Pantothenic acid
ME210592
6613
-
3.271
219.1111
TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O]
Taurocholic acid
ME210647
6675
-
18.178
515.2897
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+
Taurocholic acid
ME210648
6675
-
18.177
515.2922
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+
4-Pyridoxic acid
ME210289
6723
-
1.926
183.0522
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O]
4-Pyridoxic acid
ME210290
6723
-
2.189
183.052
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+
4-Pyridoxic acid
ME210291
6723
-
1.923
183.0537
QUINOLINE (CAS# 91-22-5); (M+H)+
Quinoline
ME210621
7047
-
2.739
129.0569
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+
gamma-Butyrolactone
ME210433
7302
-
2.066
86.036
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+
Pyroglutamic acid
ME210301
7405
-
1.13
129.0433
5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+
Pyroglutamic acid
ME210302
7405
-
1.173
129.0425
PHENYLHYDRAZINE (CAS# 100-63-0); (M+H)+
Phenylhydrazine
ME210599
7516
-
3.677
108.0678
METHYL ACETOACETATE (CAS# 105-45-3); (2M+H)+
Methylacetoacetic acid
ME210517
7757
-
7.509
116.0483
BIURET (CAS# 108-19-0); (M+NA)+
Biuret
ME210342
7913
-
1.049
103.0385
NONANOATE (CAS# 112-05-0); (M+NA)+
Pelargonic acid
ME210569
8158
-
13.224
158.1296
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+
Bis(2-ethylhexyl)phthalate
ME210340
8343
-
23.134
390.2785
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...
Bis(2-ethylhexyl)phthalate
ME210341
8343
-
23.13
390.2776
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O]
Shikimic acid
ME210634
8742
-
1.045
174.0517
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...
2-Methylpropanal oxime
ME210260
9023
-
0.777
87.0684
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+
3-Methoxytyrosine
ME210271
9307
-
2.045
211.0859
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)...
Hydroxyphenyllactic acid
ME210264
9378
-
3.996
182.0562
CITRULLINE (CAS# 372-75-8); (M+H)+
Citrulline
ME210364
9750
-
0.674
175.094
CITRULLINE (CAS# 372-75-8); (M+NA)+
Citrulline
ME210365
9750
-
0.675
175.0954
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+
Lithocholic acid
ME210506
9903
-
22.332
376.2943
4-METHYLCATECHOL (CAS# 452-86-8); (M+H)+
4-Methylcatechol
ME210288
9958
-
2.347
124.0537
HOMOCYSTINE (CAS# 462-10-2); (M+H)+
Homocystine
ME210465
10010
-
0.938
268.0573
GLYCOCHOLATE (CAS# 475-31-0); (2M+NA)+
Glycocholic acid
ME210452
10140
-
18.891
465.3124
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+
Glycocholic acid
ME210453
10140
-
18.903
465.3081
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O]
Glycocholic acid
ME210454
10140
-
18.903
465.3068
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+
Glycocholic acid
ME210455
10140
-
18.901
465.309
ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M+NA...
Adenosine phosphosulfate
ME210315
10238
-
0.579
427.023
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+
4-Quinolinecarboxylic acid
ME210292
10243
-
4.996
173.0476
SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O]
Suberic acid
ME210641
10457
-
8.3
174.0877
SUBERIC ACID (CAS# 505-48-6); (M+NA)+
Suberic acid
ME210642
10457
-
8.289
174.0905
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+
Tryptophanol
ME210477
10685
-
8.495
161.0844
CARNITINE (CAS# 541-15-1); (M+H)+
Carnitine
ME210347
10917
-
0.676
161.1049
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+
5-Valerolactone
ME210303
10953
-
2.056
100.0515
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+
2-Hydroxybutyric acid
ME210256
11266
-
1.462
104.047
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+
Ethylmalonic acid
ME210427
11756
-
2.97
132.0413
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M+H)+
Hydroxykynurenine
ME210270
11811
-
1.424
224.0787
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+
Galactitol
ME210431
11850
-
0.696
182.0781
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+
2-Methylglutaric acid
ME210258
12046
-
3.559
146.0583
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+
Methylglutaric acid
ME210272
12284
-
3.559
146.0583
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+
3-Methyladipic acid
ME210274
12292
-
5.714
160.0738
HOMOSERINE (CAS# 672-15-1); (M+NA)+
Homoserine
ME210467
12647
-
0.65
119.0572
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+
N-Cyclohexylformamide
ME210558
13017
-
7.945
127.0987
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+
N-Cyclohexylformamide
ME210559
13017
-
7.945
127.0997
DEOXYCYTIDINE (CAS# 951-77-9); (2M+H)+
Deoxycytidine
ME210401
13711
-
0.948
227.0914
DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+
Deoxycytidine
ME210402
13711
-
0.922
227.0903
DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+
Deoxycytidine
ME210403
13711
-
0.983
227.0911
DEOXYCYTIDINE (CAS# 951-77-9); (M+NA)+
Deoxycytidine
ME210404
13711
-
0.931
227.0916
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+
Deoxyuridine
ME210405
13712
-
1.703
228.0749
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+H...
Nicotinamide ribotide
ME210567
14180
-
1.045
334.0574
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+
alpha-Tocopherol
ME210326
14985
-
24.543
430.3777
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+H)+
4-Acetamidobutanoic acid
ME210278
18189
-
1.824
145.0726
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+
4-Acetamidobutanoic acid
ME210279
18189
-
1.828
145.0738
ACETYLCARNITINE (CAS# 461-77-8); (M+H)+
CAR 2:0
ME210310
18230
-
0.955
203.1149
NORLEUCINE (CAS# 327-57-1); (M+H)+
Norleucine
ME210572
21236
-
1.618
131.0947
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+
1-Methyladenosine
ME210237
27476
-
3.033
281.1145
N'-NITROSONORNICOTINE (CAS# 80508-23-2); (M+H)+
N'-Nitrosonornicotine
ME210525
27919
-
1.843
177.0915
URSODIOL (CAS# 128-13-2); (M+NA)+
Ursodeoxycholic acid
ME210678
31401
-
21.726
392.2902
GLUTAMATE (CAS# 56-86-0); (M+H)+
Glutamic acid
ME210442
33032
-
0.67
147.0537
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]
Glutamic acid
ME210443
33032
-
0.652
147.0525
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2...
N-Acetylgalactosamine
ME210549
35717
-
0.522
221.0915
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+
N-Acetylgalactosamine
ME210550
35717
-
0.717
221.0918
ADENOSINE (CAS# 58-61-7); (M+H)+
Adenosine
ME210313
60961
-
1.801
267.0976
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+
3-Methyl-2-butenal
ME210273
61020
-
2.706
84.0571
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0...
4-Hydroxy-3-methoxybenzenemethanol
ME210282
62348
-
3.81
154.0644
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME210266
64956
-
1.831
103.0634
XANTHOSINE (CAS# 146-80-5); (M+H)+
Xanthosine
ME210682
64959
-
2.322
284.0767
XANTHOSINE (CAS# 146-80-5); (M+NA)+
Xanthosine
ME210683
64959
-
2.323
284.0758
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+
3-Methylhistidine
ME210526
64969
-
0.644
169.0837
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+NA)+
3-Methylhistidine
ME210527
64969
-
0.619
169.0866
5-METHYLCYTOSINE (CAS# 554-01-8); (M+H)+
5-Methylcytosine
ME210300
65040
-
0.793
125.0578
DUMP (CAS# 964-26-1); (M+K)+
dUMP
ME210412
65063
-
1.186
308.0424
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-...
N-Acetylaspartic acid
ME210543
65065
-
1.017
175.0469
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+
N-Acetylaspartic acid
ME210544
65065
-
1.007
175.0475
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[...
Cholesterol sulfate
ME210355
65076
-
23.851
466.3105
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...
3-Amino-4-hydroxybenzoic acid
ME210265
65083
-
1.028
153.0415
NORVALINE (CAS# 6600-40-4); M+[-CO2H]
Norvaline
ME210576
65098
-
0.904
117.0799
NORVALINE (CAS# 6600-40-4); (M+H)+
Norvaline
ME210575
65098
-
0.894
117.0793
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+
N-Acetylserine
ME210538
65249
-
0.691
147.0537
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]
N-Acetylserine
ME210539
65249
-
0.897
147.0539
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+
N-Acetylserine
ME210540
65249
-
0.702
147.0518
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2
Oxidized glutathione
ME210586
65359
-
1.406
612.1544
D-LYXOSE (CAS# 1114-34-7); (M+NA)+
Lyxose
ME210389
65550
-
0.722
150.052
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...
Lathosterol
ME210304
65728
-
24.643
386.355
ARABINOSE (CAS# 147-81-9); (M+NA)+
Arabinose
ME210327
66308
-
0.722
150.052
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+
Arabinose
ME210381
66308
-
0.722
150.052
2-METHOXYESTRADIOL (CAS# 362-07-2); (M+H)+[-H2O]
2-Methoxyestradiol-17beta
ME210257
66414
-
17.368
302.1883
1-METHYLURIC ACID (CAS# 708-79-2); (M+H)+
1-Methyluric acid
ME210238
69726
-
2.287
182.0425
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+
3-Methylxanthine
ME210275
70639
-
2.222
166.0498
PTERIN (CAS# 2236-60-4); (M+H)+
Pterin
ME210614
73000
-
1.862
163.0482
GLUCOSAMINATE (CAS# 3646-68-2); (M+NA)+
Glucosaminic acid
ME210437
73563
-
0.726
195.074
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+
Monomethyl glutaric acid
ME210522
73917
-
3.559
146.0578
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+
Indole-3-methyl acetate
ME210519
74706
-
11.704
189.0807
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+
N-Acetylphenylalanine
ME210547
74839
-
7.737
207.0909
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+
N-Acetylphenylalanine
ME210548
74839
-
7.737
207.0898
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+
N-Acetylleucine
ME210545
75619
-
7.17
173.1043
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+
N-Acetylleucine
ME210546
75619
-
7.183
173.1057
GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O]
Glyceraldehyde
ME210448
79014
-
1.789
90.0313
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M+H...
12-Hydroxy lauric acid
ME210584
79034
-
17.105
216.1744
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...
MG 14:0
ME210622
79050
-
22.213
302.2448
1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+
1-Methylxanthine
ME210239
80220
-
2.529
166.0486
1-METHYLXANTHINE (CAS# 6136-37-4); (M+NA)+
1-Methylxanthine
ME210240
80220
-
2.53
166.0479
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME210605
83228
-
0.578
162.1014
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...
p-Acetamidophenylglucuronide
ME210587
83944
-
2.558
327.0948
GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+
Galacturonic acid
ME210432
84740
-
0.581
194.0423
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+[...
3-Hydroxymandelic acid
ME210509
86957
-
1.779
168.0435
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O]
N-Acetylalanine
ME210541
88064
-
1.664
131.0595
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+
N-Acetylalanine
ME210542
88064
-
1.432
131.0574
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]
Psicose
ME210394
90008
-
0.708
180.0638
DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA...
Tert-butoxycarbonyl anhydride
ME210409
90495
-
5.52
218.1166
HOMOCYSTEINE (CAS# 454-29-5); (M+H)+
Homocysteine
ME210464
91552
-
0.696
135.0362
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...
3beta-Hydroxy-5alpha-pregnan-20-one
ME210276
92787
-
20.772
318.2574
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+
N(2)-Acetyllysine
ME210557
92907
-
0.97
188.115
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...
Methyl beta-D-galactoside
ME210518
94214
-
0.784
194.0789
IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+
Imidazoleacetic acid
ME210471
96215
-
0.699
126.0423
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]
Allothreonine
ME210487
99289
-
0.663
119.0574
LANTHIONINE (CAS# 3183-08-2); (M+H)+
Lanthionine
ME210497
102950
-
0.941
208.052
SELENOMETHIONINE (CAS# 1464-42-2); (M+H)+
Selenomethionine
ME210630
105024
-
1.493
196.9956
SELENOMETHIONINE (CAS# 1464-42-2); (M+NA)+
Selenomethionine
ME210631
105024
-
1.319
196.9949
PROPIONYLCARNITINE (*) (CAS# 17298-37-2); (M+H)+
CAR 3:0
ME210609
107738
-
1.685
217.131
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85...
Anserine
ME210336
112072
-
0.638
240.1206
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+H)+
24-epi-Brassinolide
ME210420
115196
-
19.856
480.3457
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+NA)+
24-epi-Brassinolide
ME210421
115196
-
19.858
480.3464
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+
Glycolithocholic acid
ME210456
115245
-
21.747
433.3172
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O]
Glycolithocholic acid
ME210457
115245
-
21.755
433.3187
OCTANOYLCARNITINE (*) (CAS# 38263-56-8); (M+H)+
CAR 8:0
ME210578
123701
-
11.829
287.2079
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...
Galactose 1-phosphate
ME210323
123912
-
0.918
260.0303
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2
Glutathione
ME210447
124886
-
1.406
612.1544
AHBA (CAS# 76045-71-1); (M+H)+
3-Amino-5-hydroxybenzoic acid
ME210317
127115
-
1.028
153.0415
XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O]
Xylose
ME210685
135191
-
2.524
150.0533
PROLINE (CAS# 147-85-3); (M+H)+
Proline
ME210607
145742
-
0.714
115.0629
PROLINE (CAS# 147-85-3); (M+NA)+
Proline
ME210608
145742
-
0.613
115.0632
NAPROXEN (CAS# 22204-53-1); (M+H)+
Naproxen
ME210565
156391
-
15.918
230.0943
ABRINE (CAS# 526-31-8); (M+H)+
N(alpha)-Methyl-tryptophan
ME210307
160511
-
3.563
218.1037
KYNURENINE (CAS# 343-65-7); (M+H)+
Kynurenine
ME210485
161166
-
2.234
208.0848
KYNURENINE (CAS# 343-65-7); (M+NA)+
Kynurenine
ME210486
161166
-
2.225
208.0867
PINITOL (CAS# 10284-63-6); (M+NA)+
Pinitol
ME210602
164619
-
0.781
194.0789
ISO-BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+
CAR 3:0;2Me
ME210478
168379
-
2.842
231.1469
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+
CAR 12:0
ME210498
168381
-
18.065
343.2703
ISOVALERYLCARNITINE (*) (CAS# 31023-24-2); (M+H)+
CAR 4:0;3Me
ME210481
169235
-
4.639
245.1625
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+
Deoxyguanosine
ME210254
187790
-
1.801
267.0979
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O]
Dehydroascorbic acid
ME210398
210328
-
0.85
174.0149
BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+
CAR 4:0
ME210343
213144
-
2.966
231.147
CHOLATE (CAS# 81-25-4); (2M+H)+
Cholic acid
ME210350
221493
-
20.381
408.2866
CHOLATE (CAS# 81-25-4); (2M+H)+[-H2O]
Cholic acid
ME210351
221493
-
20.382
408.2914
CHOLATE (CAS# 81-25-4); (2M+NA)+
Cholic acid
ME210352
221493
-
20.381
408.2866
CHOLATE (CAS# 81-25-4); (M+NA)+
Cholic acid
ME210353
221493
-
20.379
408.288
ERYTHRITOL (CAS# 149-32-6); (M+NA)+
Erythritol
ME210422
222285
-
0.667
122.0587
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+
Deoxycholic acid
ME210399
222528
-
21.726
392.2902
MALATE (CAS# 636-61-3); (M+NA)+
Malic acid
ME210510
222656
-
0.904
134.0212
CORTISONE (CAS# 53-06-5); (M+H)+
Cortisone
ME210371
222786
-
13.053
360.1972
LANOSTEROL (CAS# 79-63-0); (M+NA)+
Lanosterol
ME210496
246983
-
23.85
426.3829
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+H)+[-H2...
Taurochenodeoxycholic acid
ME210645
387316
-
20.479
499.293
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+
Taurochenodeoxycholic acid
ME210646
387316
-
20.177
499.2919
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+
S-Adenosylhomocysteine
ME210627
439155
-
1.561
384.121
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+
5'-Methylthioadenosine
ME210293
439176
-
4.529
297.0902
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+
5'-Methylthioadenosine
ME210294
439176
-
4.532
297.0895
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME210337
439186
-
0.708
342.1165
MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME210511
439186
-
0.708
342.1165
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+
N-Acetylneuraminic acid
ME210552
439197
-
0.714
309.1061
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+
N-Acetylneuraminic acid
ME210553
439197
-
0.711
309.1055
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+
Mannose 6-phosphate
ME210513
439198
-
0.92
260.0303
D-GLUCOSAMINE (CAS# 3416-24-8); (M+H)+
Glucosamine
ME210386
439213
-
0.657
179.0778
D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+
Glucosamine
ME210387
439213
-
0.613
179.0792
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+[-...
Glucosamine 6-phosphate
ME210438
439217
-
0.696
259.0481
CARNOSINE (CAS# 305-84-0); (M+H)+
Carnosine
ME210348
439224
-
0.626
226.1079
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+
Mevalonic acid
ME210521
439230
-
1.643
148.0743
RAFFINOSE (CAS# 512-69-6); (M+NA)+
Raffinose
ME210623
439242
-
0.721
504.1677
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O]
Cystathionine
ME210375
439258
-
0.687
222.0662
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+
2-Deoxy-glucose
ME210255
439268
-
0.721
164.0684
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+
5-Hydroxy-tryptophan
ME210299
439280
-
1.803
220.0862
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME210635
439285
-
0.661
257.1028
TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+H)+
Tryptophanamide
ME210670
439356
-
2.629
203.1051
TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+NA)+
Tryptophanamide
ME210671
439356
-
2.617
203.1057
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O...
N-Methyl-glutamic acid
ME210562
439377
-
2.021
161.0685
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+
N-Methyl-glutamic acid
ME210563
439377
-
1.93
161.0703
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2...
N-Methyl-glutamic acid
ME210564
439377
-
2.179
161.0703
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+
o-Succinylhomoserine
ME210577
439406
-
0.988
219.075
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]
Allose
ME210322
439507
-
1.746
180.0619
STACHYOSE (CAS# 54261-98-2); (M+NA)+
Stachyose
ME210639
439531
-
0.722
666.2212
PALATINOSE (CAS# 343336-76-5); (M+NA)+
Palatinose
ME210588
439559
-
0.708
342.1165
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O]
Desmosterol
ME210406
439577
-
24.196
384.3368
ALLANTOIN (CAS# 97-59-6); (M+NA)+
Allantoin
ME210321
439714
-
0.705
158.0424
TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+H)+
Taurolithocholic acid
ME210649
439763
-
21.515
483.301
TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+NA)+
Taurolithocholic acid
ME210650
439763
-
21.52
483.3046
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+
Taurolithocholic acid
ME210651
439763
-
22.07
483.304
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O]
Taurolithocholic acid
ME210652
439763
-
22.13
483.2978
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+
Taurolithocholic acid
ME210653
439763
-
21.698
483.3029
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+
N-Acetyl-D-tryptophan
ME210531
439917
-
8.002
246.1005
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+
N-Acetyl-D-tryptophan
ME210532
439917
-
8.001
246.1016
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+
cis-4-Hydroxyproline
ME210284
440015
-
0.657
131.0581
MELIBIOSE (CAS# 585-99-9); (M+NA)+
Melibiose
ME210515
440658
-
0.708
342.1156
11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+
11-Deoxycortisol
ME210246
440707
-
15.449
346.2129
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+
11-Deoxycortisol
ME210247
440707
-
15.45
346.2148
LACTOSE (CAS# 63-42-3); (M+NA)+
Lactose
ME210495
440995
-
0.708
342.1165
CITRAMALATE (CAS# 2306-22-1); (M+NA)+
Citramalic acid
ME210362
441696
-
1.407
148.0361
TRANS-ACONITATE (CAS# 4023-65-8); (M+NA)+
trans-Aconitic acid
ME210666
444212
-
1.08
174.017
CINNAMIC ACID (CAS# 140-10-3); (M+H)+[-H2O]
trans-Cinnamic acid
ME210359
444539
-
11.584
148.0527
DETHIOBIOTIN (CAS# 533-48-2); (2M+H)+
Dethiobiotin
ME210407
445027
-
8.021
214.1296
DETHIOBIOTIN (CAS# 533-48-2); (M+NA)+
Dethiobiotin
ME210408
445027
-
8.346
214.1315
OLEIC ACID (CAS# 112-80-1); (M+NA)+
Oleic acid
ME210582
445639
-
22.573
282.2552
FERULATE (CAS# 1135-24-6); (M+H)+[-H2O]
trans-Ferulic acid
ME210428
445858
-
8.056
194.0572
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H...
N-Acetylglucosamine
ME210528
446101
-
0.522
221.0915
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+
N-Acetylglucosamine
ME210529
446101
-
0.72
221.0918
DIETHYLSTILBESTROL (CAS# 56-53-1); (M+H)+
Diethylstilbestrol
ME210410
448537
-
18.98
268.1456
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+
N-Acetylmethionine
ME210535
448580
-
4.259
191.0624
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H...
N-Acetylmethionine
ME210536
448580
-
4.074
191.0606
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+
N-Acetylmethionine
ME210537
448580
-
4.073
191.0622
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+
trans-Zeatin
ME210686
449093
-
3.936
219.1124
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+
LPC 16:0
ME210248
460602
-
22.239
495.3333
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+
LPC 16:0
ME210249
460602
-
22.366
495.3336
RIBOFLAVIN (CAS# 83-88-5); (M+H)+
Riboflavin
ME210624
493570
-
7.668
376.1396
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+
Riboflavin
ME210625
493570
-
7.666
376.1378
ELAIDIC ACID (CAS# 112-79-8); (M+H)+
Elaidic acid
ME210418
637517
-
22.95
282.2546
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+
Elaidic acid
ME210419
637517
-
22.804
282.2579
4-COUMARATE (CAS# 501-98-4); (M+H)+[-H2O]
cis-p-Coumaric acid
ME210280
637542
-
7.024
164.0481
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+
Citraconic acid
ME210259
643798
-
2.604
130.026
SPHINGANINE (CAS# 764-22-7); (M+H)+
Sphinganine
ME210637
644260
-
21.047
301.2963
SPHINGANINE (CAS# 764-22-7); (M+NA)+
Sphinganine
ME210638
644260
-
21.055
301.296
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4);...
Vanylglycol
ME210283
688030
-
2.605
184.0739
NORMETANEPHRINE (CAS# 97-31-4); (M+H)+
Normetanephrine
ME210573
688100
-
2.445
183.0886
NORMETANEPHRINE (CAS# 97-31-4); (M+H)+[-H2O]
Normetanephrine
ME210574
688100
-
2.631
183.0889
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+
cis-Zeatin
ME210361
688597
-
3.936
219.1124
UROCANATE (CAS# 104-98-3); (M+H)+
Urocanic acid
ME210677
736715
-
0.968
138.0437
(-)-COTININE (CAS# 486-56-6); (M+H)+
Cotinine
ME210235
854019
-
1.862
176.0946
D-GALACTOSAMINE (CAS# 7535-00-4); (2M+NA)+
Galactosamine
ME210382
3034366
-
0.716
179.0805
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+
Galactosamine
ME210383
3034366
-
0.657
179.0778
D-GALACTOSAMINE (CAS# 7535-00-4); (M+K)+
Galactosamine
ME210384
3034366
-
0.624
179.0796
D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+
Galactosamine
ME210385
3034366
-
0.613
179.0792
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+
Galactosamine
ME210390
3034366
-
0.657
179.0778
D-MANNOSAMINE (CAS# 14307-02-9); (M+K)+
2-Amino-2-deoxy-D-mannose
ME210391
3034366
-
0.624
179.0796
D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+
2-Amino-2-deoxy-D-mannose
ME210392
3034366
-
0.613
179.0792
HEXANOYLCARNITINE (*) (CAS# 66279-77-4); M+
CAR 6:0
ME210459
3246939
-
7.127
260.186
MYRISTOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+
CAR 14:0
ME210524
3413344
-
20.023
371.3025
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+
PGE2
ME210610
5280360
-
16.815
352.2216
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O]
PGE2
ME210611
5280360
-
16.719
352.2217
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+
PGE2
ME210612
5280360
-
16.863
352.2252
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+
LTB4
ME210501
5280492
-
20.575
336.2272
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]
LTB4
ME210502
5280492
-
20.625
336.2283
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+
LTB4
ME210503
5280492
-
20.599
336.2309
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+
gamma-Linolenic acid
ME210434
5280933
-
22.877
278.2221
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+
alpha-Linolenic acid
ME210325
5280934
-
22.877
278.2221
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+
Jasmonic acid
ME210482
5281166
-
13.017
210.1237
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+
Methyl jasmonate
ME210520
5281929
-
15.983
224.141
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+
cis-Vaccenic acid
ME210360
5282761
-
22.95
282.2546
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O]
TXB2
ME210659
5283137
-
16.812
370.2321
THROMBOXANE B2 (CAS# 54397-85-2); (M+NA)+
TXB2
ME210660
5283137
-
16.621
370.2343
OLEAMIDE (CAS# 301-02-0); (M+H)+
Oleamide
ME210580
5283387
-
22.651
281.2714
OLEAMIDE (CAS# 301-02-0); (M+NA)+
Oleamide
ME210581
5283387
-
22.64
281.2695
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O...
MG 18:1
ME210241
5283468
-
22.886
356.2894
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+
MG 18:1
ME210242
5283468
-
22.735
356.2932
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...
1-Aminocyclopropanecarboxylic acid
ME210236
5460234
-
0.983
101.0473
OLEOYLCARNITINE (*) (CAS# 13962-05-5); (M+H)+
CAR 18:1
ME210583
6441392
-
21.565
425.3502
LINOLEOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+
CAR 18:2
ME210504
6450015
-
21.104
423.3338
CYSTINE (CAS# 56-89-3); (M+H)+
Cystine
ME210376
6857538
-
0.795
240.0219
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+H)+[-H2O]
10-Hydroxydecanoic acid
ME210243
6991989
-
13.548
188.1411
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+
10-Hydroxydecanoic acid
ME210244
6991989
-
13.174
188.1395
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+
Ophthalmic acid
ME210585
7018721
-
1.141
289.1276
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+
LPE 18:0
ME210251
9547068
-
22.719
481.3208
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+
LPE 18:0
ME210252
9547068
-
22.775
481.3215
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+
LPE 18:0
ME210253
9547068
-
22.338
481.3174
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+
Glycochenodeoxycholic acid
ME210449
9548796
-
20.683
449.3109
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2...
Glycochenodeoxycholic acid
ME210450
9548796
-
20.555
449.3097
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+
Glycochenodeoxycholic acid
ME210451
9548796
-
20.477
449.313
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)...
-
ME210469
10444113
-
12.88
236.1026
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+NA...
-
ME210470
10444113
-
13.093
236.1049
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+
CAR 16:0
ME210590
11953816
-
21.379
399.3334
DECANOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+
CAR 10:0
ME210396
11953821
-
15.446
315.2386
THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M+H)+
TMP
ME210663
12803287
-
1.324
322.0552
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+
Tryptophan
ME210494
16217285
-
3.67
206.0859
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...
-
ME210490
16217579
-
0.719
176.104
TETRADECENOYLCARNITINE (*) (CAS# 000-00-0); M+
CAR 14:1
ME210655
22833575
-
19.098
370.2935
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+
LPC 20:0
ME210261
24779473
-
22.969
551.3898
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+
LPC 20:0
ME210262
24779473
-
22.939
551.3964
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+
SM 18:1;O2/24:0
ME210263
44260127
-
27.67
814.6855
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME210344
46891735
-
23.033
643.5024
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME210345
46891735
-
22.975
643.5039
STEAROYLCARNITINE (*) (CAS# 1976-27-8); (M+H)+
CAR 18:0
ME210640
52922056
-
21.884
427.364
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+
N-Acetyl-mannosamine
ME210530
53477792
-
0.719
221.0918
EICOSANOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+
CAR 20:0
ME210415
53477833
-
22.177
455.3935
GLUTARYLCARNITINE (*) (CAS# 102636-82-8); (M+H)+
CAR DC5:0
ME210446
53481622
-
1.914
275.137
DODECENOYLCARNITINE (*) II (CAS# 000-00-0); M+
CAR 12:1
ME210411
53481671
-
16.99
342.2622
TETRADECADIENOYLCARNITINE (*) (CAS# 000-00-0); M+
CAR 14:2
ME210654
53481681
-
17.975
368.2784
DECENOYLCARNITINE (*) (CAS# 98930-66-6); (M+H)+
CAR 10:1
ME210397
57357170
-
14.078
313.2228
OCTENOYLCARNITINE (*) (CAS# 000-00-0); M+
CAR 8:1
ME210579
71464472
-
9.565
286.2011
EICOSENOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+
CAR 20:1
ME210417
71464507
-
21.967
453.3778
EICOSADIENOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+
CAR 20:2
ME210414
71464509
-
21.748
451.3624
PALMITOLEYLCARNITINE (*) (CAS# 000-00-0); M+
CAR 16:1
ME210589
71464547
-
20.567
398.3235
EICOSATRIENOYLCARNITINE (*) (CAS# 000-00-0); M+
CAR 20:3
ME210416
87076458
-
21.379
422.3234
ARACHIDONYLCARNITINE (*) (CAS# 000-00-0); M+
CAR 20:4
ME210328
101431140
-
23.214
504.4083
Analysis: C18 NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
lysoPE 20:4; [M-H]-@1.39
LPE 20:4
ME210703
-
-
-
-
PC 37:4; [M-Ac-H]-@6.61
PC 37:4
ME210687
-
-
-
-
PC 38:5; [M-Ac-H]-@6.42
PC 38:5
ME210688
-
-
-
-
PC 40:5; [M-Ac-H]-@7.05
PC 40:5
ME210689
-
-
-
-
PE 34:3; [M-H]-@6.08
PE 34:3
ME210690
-
-
-
-
PE 35:2; [M-H]-@6.74
PE 35:2
ME210691
-
-
-
-
PE 36:2; [M-H]-@7.02
PE 36:2
ME210692
-
-
-
-
PE 36:3; [M-H]-@6.55
PE 36:3
ME210693
-
-
-
-
PE 36:5; [M-H]-@6.07
PE 36:5
ME210694
-
-
-
-
PE 38:4; [M-H]-@7.00
PE 38:4
ME210695
-
-
-
-
PE 40:5; [M-H]-@7.13
PE 40:5
ME210696
-
-
-
-
PG 36:0; [M-H]-@6.90
PG 36:0
ME210697
-
-
-
-
PI 34:2; [M-H]-@5.29
PI 34:2
ME210698
-
-
-
-
PI 36:2; [M-H]-@5.92
PI 36:2
ME210699
-
-
-
-
PI 38:3; [M-H]-@6.12
PI 38:3
ME210700
-
-
-
-
PI 38:4; [M-H]-@5.90
PI 38:4
ME210701
-
-
-
-
PI 38:5; [M-H]-@5.40
PI 38:5
ME210702
-
-
-
-
Analysis: C18 POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
MG 18:0; [M+Li]+@3.71
MG 18:0
ME210723
24699
-
-
-
MG 17:0; [M+Li]+@3.17
MG 17:0
ME210722
107036
-
-
-
lysoPC 22:6; [M+H]+@1.27
LPC 22:6
ME210886
10415542
-
-
-
SM 32:1; [M]+@5.13
SM 32:1;O2
ME210752
11433862
-
-
-
lysoPC 20:5; [M+H]+@1.01
LPC 20:5
ME210882
11757087
-
-
-
lysoPC 15:0; [M+H]+@1.26
LPC 15:0
ME210868
24779458
-
-
-
lysoPC 19:0; [M+H]+@2.72
LPC 19:0
ME210876
24779472
-
-
-
lysoPC 20:0; [M+H]+@3.24
LPC 20:0
ME210877
24779473
-
-
-
lysoPC 24:0; [M+H]+@5.11
LPC 24:0
ME210887
24779481
-
-
-
SM 42:1; [M]+@8.26
SM 42:1;O2
ME210774
44260133
-
-
-
SM 36:1; [M]+@6.51
SM 36:1;O2
ME210760
44260139
-
-
-
lysoPC 22:4; [M+H]+@1.84
LPC 22:4
ME210884
52924039
-
-
-
lysoPC 20:2; [M+H]+@1.92
LPC 20:2
ME210879
52924053
-
-
-
SM 33:1; [M]+@5.49
SM 33:1;O2
ME210754
52931139
-
-
-
SM 36:0; [M]+@6.77
SM 36:0;O2
ME210759
52931167
-
-
-
DG 30:0; [M+NH4]+@7.43
DG 30:0
ME210704
-
-
-
-
DG 32:0; [M+NH4]+@7.96
DG 32:0
ME210705
-
-
-
-
DG 32:1; [M+NH4]+@7.51
DG 32:1
ME210706
-
-
-
-
DG 32:2; [M+NH4]+@7.11
DG 32:2
ME210707
-
-
-
-
DG 34:0; [M+NH4]+@8.45
DG 34:0
ME210708
-
-
-
-
DG 34:2; [M+NH4]+@7.62
DG 34:2
ME210709
-
-
-
-
DG 34:3; [M+NH4]+@7.24
DG 34:3
ME210710
-
-
-
-
DG 35:2; [M+NH4]+@7.91
DG 35:2
ME210711
-
-
-
-
DG 36:0; [M+NH4]+@8.91
DG 36:0
ME210712
-
-
-
-
DG 36:1; [M+NH4]+@8.52
DG 36:1
ME210713
-
-
-
-
DG 36:2; [M+NH4]+@8.13
DG 36:2
ME210714
-
-
-
-
DG 36:3; [M+NH4]+@7.71
DG 36:3
ME210715
-
-
-
-
DG 36:4; [M+NH4]+@7.44
DG 36:4
ME210716
-
-
-
-
DG 38:3; [M+NH4]+@8.21
DG 38:3
ME210717
-
-
-
-
DG 38:4; [M+NH4]+@8.11
DG 38:4
ME210718
-
-
-
-
DG 38:5; [M+NH4]+@7.68
DG 38:5
ME210719
-
-
-
-
DG 38:6; [M+NH4]+@7.35
DG 38:6
ME210720
-
-
-
-
DG 40:7; [M+NH4]+@7.61
DG 40:7
ME210721
-
-
-
-
lysoPC 14:0; [M+H]+@1.04
LPC 14:0
ME210867
-
-
-
-
lysoPC 16:0; [M+H]+@1.64
LPC 16:0
ME210869
-
-
-
-
lysoPC 16:1; [M+H]+@1.20
LPC 16:1
ME210870
-
-
-
-
lysoPC 17:1; [M+H]+@1.47
LPC 17:1
ME210871
-
-
-
-
lysoPC 18:0; [M+H]+@2.33
LPC 18:0
ME210872
-
-
-
-
lysoPC 18:1; [M+H]+@1.76
LPC 18:1
ME210873
-
-
-
-
lysoPC 18:2; [M+H]+@1.38
LPC 18:2
ME210874
-
-
-
-
lysoPC 18:3; [M+H]+@1.11
LPC 18:3
ME210875
-
-
-
-
lysoPC 20:1; [M+H]+@2.48
LPC 20:1
ME210878
-
-
-
-
lysoPC 20:3; [M+H]+@1.57
LPC 20:3
ME210880
-
-
-
-
lysoPC 20:4; [M+H]+@1.33
LPC 20:4
ME210881
-
-
-
-
lysoPC 22:1; [M+H]+@3.35
LPC 22:1
ME210883
-
-
-
-
lysoPC 22:5; [M+H]+@1.46
LPC 22:5
ME210885
-
-
-
-
lysoPE 16:0; [M+H]+@1.71
LPE 16:0
ME210888
-
-
-
-
lysoPE 18:1; [M+H]+@1.84
LPE 18:1
ME210889
-
-
-
-
PC 19:2; [M+H]+@2.04
PC 19:2
ME210724
-
-
-
-
PC 30:0; [M+H]+@6.00
PC 30:0
ME210725
-
-
-
-
PC 31:0; [M+H]+@6.27
PC 31:0
ME210726
-
-
-
-
PC 32:3; [M+H]+@5.16
PC 32:3
ME210727
-
-
-
-
PC 33:3; [M+H]+@5.66
PC 33:3
ME210728
-
-
-
-
PC 34:5; [M+H]+@5.42
PC 34:5
ME210729
-
-
-
-
PC 35:2; [M+H]+@6.61
PC 35:2
ME210730
-
-
-
-
PC 35:4; [M+H]+@5.85
PC 35:4
ME210731
-
-
-
-
PC 36:0; [M+H]+@3.83
PC 36:0
ME210732
-
-
-
-
PC 36:1; [M+H]+@7.36
PC 36:1
ME210733
-
-
-
-
PC 37:1; [M+H]+@7.62
PC 37:1
ME210734
-
-
-
-
PC 37:2; [M+H]+@4.51
PC 37:2
ME210735
-
-
-
-
PC 37:7; [M+Na]+@4.39
PC 37:7
ME210736
-
-
-
-
PC 38:1; [M+H]+@7.88
PC 38:1
ME210737
-
-
-
-
PC 38:4; [M+H]+@5.10
PC 38:4
ME210738
-
-
-
-
PC 38:8; [M+H]+@5.55
PC 38:8
ME210739
-
-
-
-
PC 39:4; [M+H]+@6.53
PC 39:4
ME210740
-
-
-
-
PC 39:5; [M+H]+@6.14
PC 39:5
ME210741
-
-
-
-
PC 40:10; [M+H]+@3.33
PC 40:10
ME210742
-
-
-
-
PC 40:6; [M+H]+@6.85
PC 40:6
ME210743
-
-
-
-
PC 40:8; [M+H]+@5.56
PC 40:8
ME210744
-
-
-
-
PC 40:9; [M+H]+@6.18
PC 40:9
ME210745
-
-
-
-
PC 42:11; [M+H]+@5.30
PC 42:11
ME210746
-
-
-
-
PC 42:2; [M+H]+@8.60
PC 42:2
ME210747
-
-
-
-
PC 42:5; [M+H]+@7.52
PC 42:5
ME210748
-
-
-
-
PC 42:7; [M+H]+@6.88
PC 42:7
ME210749
-
-
-
-
PC 44:4; [M+H]+@8.59
PC 44:4
ME210750
-
-
-
-
SM 31:1; [M]+@4.75
SM 31:1;O2
ME210751
-
-
-
-
SM 32:2; [M]+@4.56
SM 32:2;O2
ME210753
-
-
-
-
SM 34:1; [M]+@5.84
SM 34:1;O2
ME210755
-
-
-
-
SM 34:2; [M]+@5.33
SM 34:2;O2
ME210756
-
-
-
-
SM 35:1; [M+Na]+@6.21
SM 35:1;O2
ME210757
-
-
-
-
SM 35:2; [M]+@5.70
SM 35:2;O2
ME210758
-
-
-
-
SM 36:2; [M]+@6.04
SM 36:2;O2
ME210761
-
-
-
-
SM 37:1; [M]+@6.86
SM 37:1;O2
ME210762
-
-
-
-
SM 37:2; [M]+@6.40
SM 37:2;O2
ME210763
-
-
-
-
SM 38:1; [M]+@7.18
SM 38:1;O2
ME210764
-
-
-
-
SM 38:2; [M]+@6.64
SM 38:2;O2
ME210765
-
-
-
-
SM 39:1; [M]+@7.48
SM 39:1;O2
ME210766
-
-
-
-
SM 39:2; [M]+@7.03
SM 39:2;O2
ME210767
-
-
-
-
SM 40:1; [M]+@7.74
SM 40:1;O2
ME210768
-
-
-
-
SM 40:2; [M]+@7.26
SM 40:2;O2
ME210769
-
-
-
-
SM 40:4; [M]+@6.31
SM 40:4;O2
ME210770
-
-
-
-
SM 41:1; [M]+@8.00
SM 41:1;O2
ME210771
-
-
-
-
SM 41:2; [M]+@7.59
SM 41:2;O2
ME210772
-
-
-
-
SM 41:4; [M]+@6.74
SM 41:4;O2
ME210773
-
-
-
-
SM 42:2; [M]+@7.75
SM 42:2;O2
ME210775
-
-
-
-
SM 42:4; [M]+@6.90
SM 42:4;O2
ME210776
-
-
-
-
SM 42:5; [M]+@6.60
SM 42:5;O2
ME210777
-
-
-
-
SM 43:1; [M]+@8.45
SM 43:1;O2
ME210778
-
-
-
-
SM 43:2; [M]+@8.02
SM 43:2;O2
ME210779
-
-
-
-
SM 44:1; [M]+@8.80
SM 44:1;O2
ME210780
-
-
-
-
SM 44:2; [M]+@8.29
SM 44:2;O2
ME210781
-
-
-
-
TG 40:0; [M+NH4]+@9.54
TG 40:0
ME210782
-
-
-
-
TG 40:1; [M+NH4]+@9.25
TG 40:1
ME210783
-
-
-
-
TG 42:0; [M+NH4]+@9.81
TG 42:0
ME210784
-
-
-
-
TG 42:1; [M+NH4]+@9.59
TG 42:1
ME210785
-
-
-
-
TG 42:2; [M+NH4]+@9.27
TG 42:2
ME210786
-
-
-
-
TG 44:1; [M+NH4]+@9.87
TG 44:1
ME210787
-
-
-
-
TG 44:2; [M+NH4]+@9.62
TG 44:2
ME210788
-
-
-
-
TG 46:0; [M+NH4]+@10.38
TG 46:0
ME210789
-
-
-
-
TG 46:1; [M+NH4]+@10.14
TG 46:1
ME210790
-
-
-
-
TG 46:2; [M+NH4]+@9.92
TG 46:2
ME210791
-
-
-
-
TG 46:3; [M+NH4]+@9.69
TG 46:3
ME210792
-
-
-
-
TG 48:0; [M+NH4]+@10.60
TG 48:0
ME210793
-
-
-
-
TG 48:1; [M+Na]+@10.39
TG 48:1
ME210794
-
-
-
-
TG 48:2; [M+NH4]+@10.15
TG 48:2
ME210795
-
-
-
-
TG 48:3; [M+NH4]+@9.93
TG 48:3
ME210796
-
-
-
-
TG 49:1; [M+NH4]+@10.52
TG 49:1
ME210797
-
-
-
-
TG 49:2; [M+NH4]+@10.31
TG 49:2
ME210798
-
-
-
-
TG 49:3; [M+NH4]+@10.09
TG 49:3
ME210799
-
-
-
-
TG 49:4; [M+NH4]+@9.88
TG 49:4
ME210800
-
-
-
-
TG 50:1; [M+Na]+@9.35
TG 50:1
ME210801
-
-
-
-
TG 50:2; [M+Na]+@9.12
TG 50:2
ME210802
-
-
-
-
TG 50:3; [M+Na]+@8.89
TG 50:3
ME210803
-
-
-
-
TG 50:4; [M+NH4]+@9.04
TG 50:4
ME210804
-
-
-
-
TG 50:5; [M+NH4]+@9.80
TG 50:5
ME210805
-
-
-
-
TG 51:1; [M+NH4]+@10.77
TG 51:1
ME210806
-
-
-
-
TG 51:2; [M+NH4]+@10.57
TG 51:2
ME210807
-
-
-
-
TG 51:3; [M+NH4]+@10.36
TG 51:3
ME210808
-
-
-
-
TG 51:4; [M+NH4]+@10.16
TG 51:4
ME210809
-
-
-
-
TG 51:5; [M+NH4]+@9.96
TG 51:5
ME210810
-
-
-
-
TG 52:0; [M+Na]+@11.11
TG 52:0
ME210811
-
-
-
-
TG 52:1; [M+Na]+@9.64
TG 52:1
ME210812
-
-
-
-
TG 52:2; [M+Na]+@9.40
TG 52:2
ME210813
-
-
-
-
TG 52:3; [M+Na]+@9.19
TG 52:3
ME210814
-
-
-
-
TG 52:4; [M+NH4]+@10.24
TG 52:4
ME210815
-
-
-
-
TG 52:5; [M+Na]+@10.06
TG 52:5
ME210816
-
-
-
-
TG 52:6; [M+Na]+@9.88
TG 52:6
ME210817
-
-
-
-
TG 52:7; [M+NH4]+@9.74
TG 52:7
ME210818
-
-
-
-
TG 53:2; [M+NH4]+@10.79
TG 53:2
ME210819
-
-
-
-
TG 53:3; [M+NH4]+@10.59
TG 53:3
ME210820
-
-
-
-
TG 53:4; [M+NH4]+@10.40
TG 53:4
ME210821
-
-
-
-
TG 53:5; [M+NH4]+@10.21
TG 53:5
ME210822
-
-
-
-
TG 53:6; [M+NH4]+@10.05
TG 53:6
ME210823
-
-
-
-
TG 54:1; [M+NH4]+@11.07
TG 54:1
ME210824
-
-
-
-
TG 54:2; [M+NH4]+@10.90
TG 54:2
ME210825
-
-
-
-
TG 54:3; [M+NH4]+@10.71
TG 54:3
ME210826
-
-
-
-
TG 54:4; [M+NH4]+@10.50
TG 54:4
ME210827
-
-
-
-
TG 54:5; [M+NH4]+@10.29
TG 54:5
ME210828
-
-
-
-
TG 54:6; [M+NH4]+@10.15
TG 54:6
ME210829
-
-
-
-
TG 54:7; [M+Na]+@9.96
TG 54:7
ME210830
-
-
-
-
TG 54:8; [M+NH4]+@9.78
TG 54:8
ME210831
-
-
-
-
TG 55:2; [M+NH4]+@11.03
TG 55:2
ME210832
-
-
-
-
TG 55:3; [M+NH4]+@10.83
TG 55:3
ME210833
-
-
-
-
TG 55:4; [M+NH4]+@10.61
TG 55:4
ME210834
-
-
-
-
TG 55:6; [M+NH4]+@10.36
TG 55:6
ME210835
-
-
-
-
TG 55:7; [M+NH4]+@10.17
TG 55:7
ME210836
-
-
-
-
TG 56:1; [M+NH4]+@11.35
TG 56:1
ME210837
-
-
-
-
TG 56:2; [M+NH4]+@11.13
TG 56:2
ME210838
-
-
-
-
TG 56:3; [M+NH4]+@10.92
TG 56:3
ME210839
-
-
-
-
TG 56:4; [M+NH4]+@10.76
TG 56:4
ME210840
-
-
-
-
TG 56:5; [M+NH4]+@10.60
TG 56:5
ME210841
-
-
-
-
TG 56:6; [M+NH4]+@10.44
TG 56:6
ME210842
-
-
-
-
TG 56:7; [M+NH4]+@10.26
TG 56:7
ME210843
-
-
-
-
TG 56:8; [M+Na]+@10.09
TG 56:8
ME210844
-
-
-
-
TG 56:9; [M+NH4]+@9.88
TG 56:9
ME210845
-
-
-
-
TG 57:2; [M+NH4]+@11.26
TG 57:2
ME210846
-
-
-
-
TG 57:4; [M+NH4]+@10.86
TG 57:4
ME210847
-
-
-
-
TG 58:10; [M+NH4]+@9.98
TG 58:10
ME210849
-
-
-
-
TG 58:11; [M+NH4]+@9.83
TG 58:11
ME210850
-
-
-
-
TG 58:1; [M+NH4]+@11.60
TG 58:1
ME210848
-
-
-
-
TG 58:2; [M+NH4]+@11.36
TG 58:2
ME210851
-
-
-
-
TG 58:3; [M+NH4]+@11.16
TG 58:3
ME210852
-
-
-
-
TG 58:4; [M+NH4]+@10.96
TG 58:4
ME210853
-
-
-
-
TG 58:6; [M+NH4]+@10.65
TG 58:6
ME210854
-
-
-
-
TG 58:7; [M+NH4]+@10.49
TG 58:7
ME210855
-
-
-
-
TG 58:8; [M+NH4]+@10.36
TG 58:8
ME210856
-
-
-
-
TG 58:9; [M+NH4]+@10.21
TG 58:9
ME210857
-
-
-
-
TG 60:10; [M+NH4]+@10.26
TG 60:10
ME210859
-
-
-
-
TG 60:11; [M+NH4]+@10.08
TG 60:11
ME210860
-
-
-
-
TG 60:12; [M+NH4]+@9.94
TG 60:12
ME210861
-
-
-
-
TG 60:13; [M+NH4]+@9.75
TG 60:13
ME210862
-
-
-
-
TG 60:1; [M+NH4]+@11.92
TG 60:1
ME210858
-
-
-
-
TG 60:2; [M+NH4]+@11.62
TG 60:2
ME210863
-
-
-
-
TG 60:3; [M+NH4]+@11.38
TG 60:3
ME210864
-
-
-
-
TG 60:4; [M+NH4]+@11.21
TG 60:4
ME210865
-
-
-
-
TG 60:9; [M+NH4]+@10.41
TG 60:9
ME210866
-
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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