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Return to study ST000697 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
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...
1-Aminocyclopropanecarboxylic acid
ME197713
5460234
-
1.217
101.0479
PENTANOATE (CAS# 109-52-4); (M+HCOO)-
Valeric acid
ME197961
7991
-
1.805
102.0675
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M+HCOO)-
Hydroxypyruvic acid
ME197739
964
-
0.682
104.0101
SERINE (CAS# 56-45-1); (M-H)-
Serine
ME197984
617
-
0.626
105.0425
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)-
Benzaldehyde
ME197782
240
-
4.809
106.0408
MALEAMATE (CAS# 557-24-4); (M-H)-
Maleamate
ME197910
5280451
-
0.632
115.0277
FUMARATE (CAS# 110-17-8); (M-H)-
Fumaric acid
ME197850
444972
-
1.266
116.0114
MALEIC ACID (CAS# 110-16-7); (M-H)-
Maleic acid
ME197911
444266
-
1.022
116.0114
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-
N-Acetylglycine
ME197934
1097
-
0.979
117.0421
VALINE (CAS# 72-18-4); (M-H)-
Valine
ME198022
6287
-
0.792
117.0779
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-
5-Aminopentanoic acid
ME197757
138
-
0.764
117.0781
SUCCINATE (CAS# 110-15-6); (M-H)-
Succinic acid
ME197990
1110
-
1.326
118.0266
METHYLMALONATE (CAS# 516-05-2); (M-H)-
Methylmalonic acid
ME197918
487
-
1.331
118.0267
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME197728
853180
-
3.507
118.0625
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]
Threonine
ME197995
6288
-
0.667
119.0588
PURINE (CAS# 120-73-0); (M-H)-
Purine
ME197973
1044
-
1.473
120.0436
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)-
3-Hydroxybenzaldehyde
ME197737
101
-
4.971
122.0378
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)-
4-Hydroxybenzaldehyde
ME197746
126
-
4.985
122.0378
BENZOATE (CAS# 65-85-0); (M-H)-
Benzoic acid
ME197783
243
-
5.502
122.0378
TAURINE (CAS# 107-35-7); (M-H)-
Taurine
ME197993
1123
-
0.639
125.0148
IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M-H)-
Imidazoleacetic acid
ME197885
96215
-
0.684
126.0425
THYMINE (CAS# 65-71-4); (M-H)-
Thymine
ME197997
1135
-
1.734
126.0426
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
Pyroglutamic acid
ME197760
7405
-
1.206
129.0424
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-
Citraconic acid
ME197730
643798
-
2.025
130.0269
ITACONATE (CAS# 97-65-4); (M-H)-
Itaconic acid
ME197890
811
-
1.794
130.0269
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-
Ketoleucine
ME197749
70
-
4.718
130.063
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-
Ketoleucine
ME197750
70
-
4.718
130.063
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...
3-Methyl-2-oxovaleric acid
ME197711
47
-
4.314
130.0631
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
N-Acetylalanine
ME197928
88064
-
1.49
131.0576
ISOLEUCINE (CAS# 73-32-5); (M-H)-
Isoleucine
ME197889
6306
-
1.525
131.0944
LEUCINE (CAS# 328-39-2); (M-H)-
Leucine
ME197905
6106
-
1.538
131.0944
NORLEUCINE (CAS# 327-57-1); (M-H)-
Norleucine
ME197944
21236
-
1.544
131.0944
OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O]
Oxaloacetic acid
ME197952
970
-
0.863
132.0046
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
Ethylmalonic acid
ME197844
11756
-
2.559
132.0417
GLUTARATE (CAS# 110-94-1); (M-H)-
Glutaric acid
ME197870
743
-
2.063
132.0418
D-ORNITHINE (CAS# 348-66-3); (M-H)-
D-Ornithine
ME197819
6262
-
0.642
132.089
L-ORNITHINE (CAS# 70-26-8); (M-H)-
Ornithine
ME197899
6262
-
0.642
132.089
ASPARTATE (CAS# 56-84-8); (M-H)-
Aspartic acid
ME197779
5960
-
0.663
133.0375
ASPARTATE (CAS# 56-84-8); (M+HCOO)-
Aspartic acid
ME197778
5960
-
0.686
133.0379
MALATE (CAS# 97-67-6); (M-H)-
Malic acid
ME197909
222656
-
0.817
134.0216
MALATE (CAS# 97-67-6); (M-H)+[-H2O]
Malic acid
ME197908
222656
-
0.717
134.0228
ADENINE (CAS# 73-24-5); (M-H)-
Adenine
ME197764
190
-
0.841
135.0536
HYPOXANTHINE (CAS# 68-94-0); (M-H)-
Hypoxanthine
ME197884
790
-
1.087
136.0381
PHENYL ACETATE (CAS# 122-79-2); (M-H)-
Phenyl acetate
ME197963
999
-
3.869
136.0517
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
Phenyl acetate
ME197962
999
-
3.829
136.0518
SALICYLATE (CAS# 69-72-7); (M-H)-
Salicylic acid
ME197982
338
-
8.261
138.0306
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-
4-Hydroxybenzoic acid
ME197747
135
-
4.091
138.031
UROCANATE (CAS# 104-98-3); (M-H)-
Urocanic acid
ME198019
736715
-
0.659
138.0426
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
2-Aminobenzoic acid
ME197902
227
-
5.376
138.0444
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
4-Nitrophenol
ME197752
980
-
7.072
139.0262
6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M-H)-
6-Hydroxynicotinic acid
ME197762
72924
-
1.641
139.0281
2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ...
Phosphoethanolamine
ME197726
1015
-
0.709
141.0189
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)-
Phosphoethanolamine
ME197843
1015
-
0.723
141.0189
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...
Cycloheptanecarboxylic acid
ME197805
15091
-
10.771
142.0988
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-
Caprylic acid
ME197792
379
-
10.105
144.1144
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
2-Methylglutaric acid
ME197729
12046
-
3.584
146.0577
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-
Methylglutaric acid
ME197740
12284
-
3.572
146.0577
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-
Adipic acid
ME197769
196
-
3.572
146.0577
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-
Monomethyl glutaric acid
ME197919
73917
-
3.572
146.0577
GLUTAMINE (CAS# 56-85-9); (M-H)-
Glutamine
ME197869
5961
-
0.645
146.0677
GLUTAMATE (CAS# 56-86-0); (M-H)-
Glutamic acid
ME197868
33032
-
0.666
147.0535
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-
N-Acetylserine
ME197927
65249
-
0.666
147.0535
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-
N-Methyl-D-aspartic acid
ME197938
4376
-
0.666
147.0535
CITRAMALATE (CAS# 2306-22-1); (M-H)-
Citramalic acid
ME197801
441696
-
1.42
148.0376
METHIONINE (CAS# 63-68-3); (M-H)-
Methionine
ME197916
6137
-
0.878
149.0508
PENICILLAMINE (CAS# 52-67-5); (2M-H)+[-H2]
Penicillamine
ME197960
5852
-
1.626
149.0524
TARTARIC ACID (CAS# 87-69-4); (M-H)-
Tartaric acid
ME197992
875
-
0.681
150.0158
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-
Arabinose
ME197811
66308
-
0.67
150.0528
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-
Lyxose
ME197816
65550
-
0.67
150.0528
XYLOSE (CAS# 58-86-6); (M+HCOO)-
Xylose
ME198026
135191
-
0.67
150.0528
D-LYXOSE (CAS# 1114-34-7); (M-H)-
Lyxose
ME197817
65550
-
0.683
150.0529
GUANINE (CAS# 73-40-5); (M-H)-
Guanine
ME197875
764
-
0.827
151.0482
XANTHINE (CAS# 69-89-6); (M-H)-
Xanthine
ME198023
1188
-
1.312
152.0334
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-
4-Hydroxyphenyl acetate
ME197748
127
-
4.809
152.0463
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-
3-Hydroxyphenylacetic acid
ME197738
12122
-
7.908
152.0467
MANDELIC ACID (CAS# 611-71-2); (M-H)-
Mandelic acid
ME197913
11914
-
6.338
152.0467
ARABITOL (CAS# 7643-75-6); (M+CL)-
Arabitol
ME197775
94154
-
0.755
152.0697
RIBITOL (CAS# 488-81-3); (M+CL)-
Ribitol
ME197979
94154
-
0.755
152.0697
3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)-
3-Sulfino-alanine
ME197743
109
-
0.689
153.0088
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)-
4-Nitrocatechol
ME197751
3505109
-
5.42
155.0216
L-HISTIDINE (CAS# 71-00-1); (M-H)-
Histidine
ME197897
6274
-
0.623
155.0694
OROTATE (CAS# 65-86-1); (M-H)-
Orotic acid
ME197950
967
-
0.836
156.0157
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)-
Uracil-5-carboxylic acid
ME198013
6971263
-
0.921
156.0157
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-
4,5-Dihydroorotic acid
ME197712
1149667
-
0.7
158.0328
NONANOATE (CAS# 112-05-0); (M-H)-
Pelargonic acid
ME197943
8158
-
18.392
158.1293
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-
Oxoadipic acid
ME197731
71
-
1.37
160.037
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-
3-Methyladipic acid
ME197741
12292
-
5.712
160.0733
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-
Pimelic acid
ME197761
385
-
5.712
160.0733
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...
3-Hydroxymethylglutaric acid
ME197736
1662
-
1.633
162.0526
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME197969
83228
-
0.568
162.099
PTERIN (CAS# 2236-60-4); (M-H)-
Pterin
ME197972
73000
-
1.627
163.0507
4-COUMARATE (CAS# 501-98-4); (M-H)-
cis-p-Coumaric acid
ME197745
637542
-
6.68
164.0464
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-
Rhamnose
ME197900
25310
-
0.692
164.0673
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-
2-Deoxy-glucose
ME197727
439268
-
0.692
164.0674
PHENYLALANINE (CAS# 63-91-2); (M-H)-
Phenylalanine
ME197964
6140
-
2.532
165.0789
TEREPHTHALATE (CAS# 100-21-0); (M-H)-
Terephthalic acid
ME197994
7489
-
5.853
166.0256
PHTHALATE (CAS# 88-99-3); (M-H)-
Phthalic acid
ME197966
1017
-
4.828
166.0263
URATE (CAS# 69-93-2); (M-H)-
Uric acid
ME198014
1175
-
1.06
168.0285
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-
sn-Glycero-2-phosphate
ME197873
2526
-
0.72
172.0146
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M-H)-
3-Dehydroshikimate
ME197735
439774
-
0.877
172.0377
DECANOATE (CAS# 334-48-5); (M-H)-
Capric acid
ME197823
2969
-
19.851
172.1457
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-
N-Acetylleucine
ME197931
75619
-
7.177
173.1047
CIS-ACONITATE (CAS# 585-84-2); (M-H)-
cis-Aconitic acid
ME197797
643757
-
1.169
174.0165
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
trans-Aconitic acid
ME197999
444212
-
1.169
174.0165
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
L-Dehydroascorbic acid
ME197825
210328
-
0.815
174.0167
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-
L-Dehydroascorbic acid
ME197824
210328
-
0.87
174.0177
SUBERIC ACID (CAS# 505-48-6); (M-H)-
Suberic acid
ME197989
10457
-
8.281
174.0886
L-ARGININE (CAS# 74-79-3); (M-H)-
Arginine
ME197894
6322
-
0.624
174.1111
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-
N-Acetylaspartic acid
ME197929
65065
-
0.998
175.0468
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M-H)+[-H2...
Guanidinosuccinic acid
ME197936
439918
-
0.75
175.0608
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME198002
14925
-
1.36
176.0312
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-
1,2,3-Propanetricarboxylic acid
ME198001
14925
-
1.423
176.0319
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...
-
ME197895
16217579
-
0.624
176.1072
N-CYCLOHEXYLSULFAMIC ACID (CAS# 100-88-9); (2M-H)-
Cyclamic acid
ME197937
7533
-
4.196
179.0604
D-MANNOSAMINE (CAS# 14307-02-9); (M+HCOO)-
2-Amino-2-deoxy-D-mannose
ME197818
3034366
-
0.907
179.0792
D-GALACTOSAMINE (CAS# 7535-00-4); (M+HCOO)-
Galactosamine
ME197813
3034366
-
0.919
179.0794
D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)-
Galactosamine
ME197812
3034366
-
0.797
179.081
D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)-
Glucosamine
ME197814
439213
-
0.805
179.081
(-)-SALSOLINOL (CAS# 27740-96-1); (M+CL)-
Salsolinol
ME197709
7157331
-
1.39
179.0952
3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H...
4-Hydroxyphenylpyruvic acid
ME197734
979
-
2.488
180.0433
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)-
Methionine sulfoximine
ME197898
89034
-
0.683
180.0573
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-
Fructose
ME197849
5984
-
0.623
180.0635
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O]
Glucose
ME197864
5793
-
0.659
180.064
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
Allose
ME197772
439507
-
1.633
180.0642
D-PSICOSE (CAS# 551-68-8); (M+CL)-
Psicose
ME197820
90008
-
0.658
180.0642
D-TAGATOSE (CAS# 87-81-0); (M+CL)-
D-Tagatose
ME197821
90008
-
0.658
180.0642
FRUCTOSE (CAS# 57-48-7); (M+CL)-
Fructose
ME197848
5984
-
0.658
180.0642
GLUCOSE (CAS# 50-99-7); (M+CL)-
Glucose
ME197865
5793
-
0.658
180.0642
TYROSINE (CAS# 60-18-4); (M-H)-
Tyrosine
ME198007
6057
-
1.358
181.0736
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...
Hydroxyphenyllactic acid
ME197733
9378
-
3.829
182.0573
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-
Choline phosphate
ME197795
1014
-
0.822
183.0664
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)-
Dihydroxymandelic acid
ME197837
85782
-
1.033
184.0377
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M-H)+
DL-O-Phosphoserine
ME197945
106
-
0.889
185.0072
3-PHOSPHOGLYCERATE (CAS# ); (M-H)-
3-Phosphoglyceric acid
ME197742
439183
-
0.741
185.9944
AZELAIC ACID (CAS# 123-99-9); (M-H)-
Azelaic acid
ME197780
2266
-
10.771
188.1043
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-
10-Hydroxydecanoic acid
ME197714
6991989
-
13.598
188.1407
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)-
N-Acetylglutamic acid
ME197925
185
-
1.321
189.0633
BOC-ALA-OH (CAS# 15761-38-3); (M-H)-
-
ME197789
85082
-
9.462
189.0992
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
N-Acetylmethionine
ME197926
448580
-
4.08
191.061
CITRATE (CAS# 77-92-9); (M-H)-
Citric acid
ME197802
311
-
1.036
192.027
ISOCITRATE (CAS# 320-77-4); (M-H)-
Isocitric acid
ME197888
5318532
-
0.742
192.027
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-
Galacturonic acid
ME197852
84740
-
0.678
194.0427
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-
Glucuronic acid
ME197867
94715
-
0.678
194.0427
FERULATE (CAS# 1135-24-6); (M-H)-
trans-Ferulic acid
ME197845
445858
-
8.113
194.0577
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...
Methyl beta-D-galactoside
ME197917
94214
-
0.705
194.0798
PINITOL (CAS# 10284-63-6); (M+CL)-
Pinitol
ME197968
164619
-
0.705
194.0798
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
Gluconic acid
ME197863
10690
-
0.67
196.0582
L-GULONATE (CAS# 6322-07-2); (M-H)-
Gulonic acid
ME197896
152304
-
0.67
196.0583
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME197710
440473
-
0.878
198.0626
LAURIC ACID (CAS# 143-07-7); (M-H)-
Lauric acid
ME197904
3893
-
21.776
200.1774
SEBACIC ACID (CAS# 111-20-6); (M-H)-
Sebacic acid
ME197983
5192
-
12.987
202.1202
TRYPTOPHAN (CAS# 73-22-3); (2M-H)-
Tryptophan
ME198005
6305
-
3.648
204.0879
TRYPTOPHAN (CAS# 73-22-3); (M-H)-
Tryptophan
ME198006
6305
-
3.652
204.0893
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
Tryptophan
ME197901
16217285
-
3.652
206.0852
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-
N-Acetylphenylalanine
ME197932
74839
-
7.744
207.0887
KYNURENINE (CAS# 343-65-7); (M-H)-
Kynurenine
ME197893
161166
-
2.224
208.0839
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
Glucaric acid
ME197861
33037
-
0.742
210.0387
GLUCARIC ACID (CAS# 87-73-0); (M-H)-
Glucaric acid
ME197862
33037
-
0.675
210.0392
GALACTARATE (CAS# 526-99-8); (M-H)-
Galactaric acid
ME197851
3037582
-
0.675
210.0394
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-
Jasmonic acid
ME197891
5281166
-
13.181
210.1251
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-
Jasmonic acid
ME197892
5281166
-
13.18
210.1257
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)-
Phosphocreatine
ME197965
9548602
-
0.807
211.0352
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)-
Tridecylic acid
ME198004
12530
-
22.178
214.1928
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H...
12-Hydroxy lauric acid
ME197948
79034
-
17.048
216.1715
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)-
o-Succinylhomoserine
ME197946
439406
-
1.117
219.0743
PANTOTHENATE (CAS# 79-83-4); (M+CL)-
Pantothenic acid
ME197958
6613
-
3.251
219.1096
PANTOTHENATE (CAS# 79-83-4); (M-H)-
Pantothenic acid
ME197959
6613
-
3.28
219.1101
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
cis-Zeatin
ME197799
688597
-
3.927
219.1121
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-
trans-Zeatin
ME198027
449093
-
3.927
219.1121
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
cis-Zeatin
ME197800
688597
-
3.928
219.1122
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-
trans-Zeatin
ME198028
449093
-
3.928
219.1122
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-
5-Hydroxy-tryptophan
ME197758
439280
-
1.81
220.0832
2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE (CAS# 422...
N-Acetyl-beta-glucosaminylamine
ME197725
46779877
-
0.831
220.1071
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-
N-Acetyl-D-glucosamine
ME197922
446101
-
0.683
221.0913
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-
N-Acetyl-mannosamine
ME197923
53477792
-
0.683
221.0913
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-
N-Acetyl-D-galactosamine
ME197933
35717
-
0.683
221.0913
CYSTATHIONINE (CAS# 56-88-2); (M-H)-
Cystathionine
ME197806
439258
-
0.667
222.0654
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-
Myristoleic acid
ME197921
5281119
-
22.057
226.1932
DEOXYCYTIDINE (CAS# 951-77-9); (M-H)-
Deoxycytidine
ME197830
13711
-
0.689
227.0889
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-
Deoxycytidine
ME197829
13711
-
0.991
227.0902
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-
Deoxyuridine
ME197832
13712
-
1.686
228.0739
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
Myristic acid
ME197920
11005
-
22.464
228.2087
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-
Paracetamol sulfate
ME197744
83939
-
2.417
231.0202
CYTIDINE (CAS# 65-46-3); (M+CL)-
Cytidine
ME197807
6175
-
0.684
243.0851
CYTIDINE (CAS# 65-46-3); (M-H)-
Cytidine
ME197808
6175
-
0.671
243.0866
URIDINE (CAS# 58-96-8); (M+HCOO)-
Uridine
ME198016
6029
-
1.264
244.0683
URIDINE (CAS# 58-96-8); (M-H)-
Uridine
ME198017
6029
-
1.289
244.069
URIDINE (CAS# 58-96-8); (M+CL)-
Uridine
ME198015
6029
-
1.4
244.0698
BIOTIN (CAS# 58-85-5); (M-H)-
Biotin
ME197788
11966127
-
6.283
244.0863
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-
N-Acetyl-D-tryptophan
ME197924
439917
-
8.005
246.0982
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)...
gamma-Glutamylcysteine
ME197854
123938
-
0.804
250.0608
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-
5'-Deoxyadenosine
ME197754
439182
-
2.661
251.1
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+CL)-
5'-Deoxyadenosine
ME197753
439182
-
2.782
251.1021
2'-DEOXYINOSINE (CAS# 890-38-0); (M-H)-
Deoxyinosine
ME197724
65058
-
2.005
252.0859
2'-DEOXYINOSINE (CAS# 890-38-0); (M+CL)-
Deoxyinosine
ME197723
65058
-
1.813
252.0876
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
Palmitoleic acid
ME197957
445638
-
22.599
254.2247
PALMITATE (CAS# 57-10-3); (M-H)-
Palmitic acid
ME197956
985
-
22.864
256.2404
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME197986
439285
-
0.697
257.1016
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME197985
439285
-
0.674
257.1029
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...
Galactose 1-phosphate
ME197773
123912
-
0.726
260.0305
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-
Glucose 6-phosphate
ME197815
5958
-
0.767
260.0305
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-
Glucose 1-phosphate
ME197866
65533
-
0.733
260.0305
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-
Mannose 6-phosphate
ME197914
439198
-
0.732
260.0305
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)-
Deoxyguanosine
ME197721
187790
-
1.632
267.0946
ADENOSINE (CAS# 58-61-7); (M+CL)-
Adenosine
ME197765
60961
-
1.632
267.0946
2'-DEOXYGUANOSINE (CAS# 961-07-9); (2M-H)+
Deoxyguanosine
ME197720
187790
-
1.479
267.0951
ADENOSINE (CAS# 58-61-7); (M+HCOO)-
Adenosine
ME197766
60961
-
1.806
267.0958
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)-
Deoxyguanosine
ME197722
187790
-
2.08
267.0959
INOSINE (CAS# 58-63-9); (M-H)-
Inosine
ME197887
6021
-
1.846
268.0811
INOSINE (CAS# 58-63-9); (M+CL)-
Inosine
ME197886
6021
-
1.739
268.0834
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
Margaric acid
ME197881
10465
-
23.005
270.2561
7-AMINOCEPHALOSPORANIC ACID (CAS# 957-68-6); (M-H)...
7-Aminocephalosporanic acid
ME197763
441328
-
1.445
272.0483
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
alpha-Linolenic acid
ME197774
5280934
-
22.862
278.2225
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
gamma-Linolenic acid
ME197855
5280933
-
22.862
278.2225
LINOLEATE (CAS# 60-33-3); (M-H)-
Linoleic acid
ME197907
5280450
-
22.735
280.2406
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
cis-Vaccenic acid
ME197798
5282761
-
22.939
282.2563
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
Elaidic acid
ME197839
637517
-
22.939
282.2563
OLEIC ACID (CAS# 112-80-1); (M-H)-
Oleic acid
ME197947
445639
-
22.939
282.2563
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
trans-Vaccenic acid
ME198000
5281127
-
22.939
282.2563
GUANOSINE (CAS# 118-00-3); (M-H)-
Guanosine
ME197877
6802
-
1.851
283.0902
GUANOSINE (CAS# 118-00-3); (M+CL)-
Guanosine
ME197876
6802
-
1.839
283.0943
XANTHOSINE (CAS# 146-80-5); (M-H)-
Xanthosine
ME198024
64959
-
2.314
284.0742
STEARATE (CAS# 57-11-4); (M-H)-
Stearic acid
ME197988
5281
-
23.191
284.2718
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-
Ophthalmic acid
ME197949
7018721
-
1.466
289.1249
EDTA (CAS# 60-00-4); (M-H)-
Edetic acid
ME197838
6049
-
1.15
292.0887
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-
5'-Methylthioadenosine
ME197756
439176
-
4.522
297.0895
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
5'-Methylthioadenosine
ME197755
439176
-
4.526
297.0897
RETINOATE (CAS# 302-79-4); (M-H)-
Retinoic acid
ME197978
444795
-
22.289
300.2113
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)...
MG 14:0
ME197975
79050
-
22.446
302.2478
ARACHIDONATE (CAS# 506-32-1); (M-H)-
Arachidonic acid
ME197777
444899
-
22.72
304.2401
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
N-Acetylneuraminic acid
ME197935
439197
-
0.717
309.1041
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-
cis-Gondoic acid
ME197796
5282768
-
23.262
310.287
PHYTANATE (CAS# 14721-66-5); (M-H)-
Phytanic acid
ME197967
10380830
-
23.3
312.302
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-
Arachidic acid
ME197776
10467
-
23.59
312.3028
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-
UMP
ME198018
6030
-
0.873
324.037
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)-
N-Acetylcysteine
ME197930
12035
-
3.637
324.0428
DAMP (CAS# 653-63-4); (M-H)-
dAMP
ME197822
12599
-
1.125
331.0666
ERUCIC ACID (CAS# 112-86-7); (M-H)-
cis-Erucic acid
ME197842
5281116
-
23.611
338.3164
BEHENIC ACID (CAS# 112-85-6); (M-H)-
Behenic acid
ME197781
8215
-
24.071
340.3327
LACTOSE (CAS# 63-42-3); (M-H)-
Lactose
ME197903
440995
-
0.566
342.1159
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME197786
439186
-
0.643
342.1168
MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME197912
439186
-
0.643
342.1168
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-
Melibiose
ME197915
440658
-
0.643
342.1168
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-
Palatinose
ME197955
439559
-
0.643
342.1168
SUCROSE (CAS# 57-50-1); (M+HCOO)-
Sucrose
ME197991
5988
-
0.643
342.1168
BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O]
Maltose
ME197785
439186
-
0.626
342.1186
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-
Gibberellin A3
ME197858
6466
-
8.534
346.1415
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
Gibberellin A3
ME197859
6466
-
8.532
346.1417
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-
Gibberellin A3
ME197860
6466
-
8.532
346.1417
DGMP (CAS# 902-04-5); (M-H)-
dGMP
ME197835
6994968
-
1.309
347.0632
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-
AMP
ME197768
6083
-
0.994
347.0636
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+
AMP
ME197767
6083
-
0.946
347.0637
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-
PGE2
ME197971
5280360
-
16.867
352.2235
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-
Tricosylic acid
ME198003
17085
-
24.376
354.3488
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...
Thyrotropin releasing hormone
ME197998
638678
-
1.499
362.1727
CORTISOL (CAS# 50-23-7); (M+HCOO)-
Cortisol
ME197804
5754
-
13.841
362.2095
CORTISOL (CAS# 50-23-7); (M+CL)-
Cortisol
ME197803
5754
-
13.84
362.2097
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M-H)+
GMP
ME197879
6804
-
0.96
363.0576
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)-
GMP
ME197880
6804
-
0.992
363.0581
XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M-H)-
XMP
ME198025
73323
-
1.176
364.0424
NERVONIC ACID (CAS# 506-37-6); (M-H)-
Nervonic acid
ME197940
5281120
-
24.142
366.3502
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-
Lignoceric acid
ME197906
11197
-
24.718
368.3654
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]
TXB2
ME197996
5283137
-
16.867
370.234
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)-
S-Adenosylhomocysteine
ME197980
439155
-
1.537
384.1179
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-
S-Adenosylhomocysteine
ME197981
439155
-
1.549
384.1207
URSODIOL (CAS# 128-13-2); (M+HCOO)-
Ursodeoxycholic acid
ME198020
31401
-
21.617
392.2924
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)-
Deoxycholic acid
ME197826
222528
-
21.71
392.2927
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)-
Deoxycholic acid
ME197827
222528
-
21.71
392.293
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-
Deoxycholic acid
ME197828
222528
-
21.709
392.2934
URSODIOL (CAS# 128-13-2); (M-H)-
Ursodeoxycholic acid
ME198021
31401
-
21.709
392.2934
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
Hyodeoxycholic acid
ME197883
5283820
-
22.877
392.2954
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-
Cerotic acid
ME197882
10469
-
25.588
396.3948
CHOLATE (CAS# 81-25-4); (M+CL)-
Cholic acid
ME197793
221493
-
20.346
408.286
CHOLATE (CAS# 81-25-4); (M-H)-
Cholic acid
ME197794
221493
-
20.353
408.2865
DGDP (CAS# 653-63-4); (M-H)-
dGDP
ME197834
439220
-
1.2
427.0278
FOLIC ACID (CAS# 59-30-3); (M-H)-
Folic acid
ME197847
6037
-
5.928
441.1394
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-
5-Methyl-THF
ME197759
9825434
-
3.731
459.1878
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-
24-epi-Brassinolide
ME197840
115196
-
19.823
480.3455
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...
24-epi-Brassinolide
ME197841
115196
-
19.823
480.3456
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
LPE 18:0
ME197719
9547068
-
22.686
481.3143
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H...
CDP-choline
ME197810
13804
-
0.731
488.1091
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+C...
CDP-choline
ME197809
13804
-
0.705
488.1105
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-
LPC 16:0
ME197715
460602
-
22.348
495.3284
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
LPC 16:0
ME197716
460602
-
22.249
495.3326
RAFFINOSE (CAS# 512-69-6); (M+CL)-
Raffinose
ME197976
439242
-
0.699
504.1656
RAFFINOSE (CAS# 512-69-6); (M+HCOO)-
Raffinose
ME197977
439242
-
0.72
504.172
DEOXYGUANOSINE 5'-TRIPHOSPHATE (CAS# 2564-35-4); (...
dGTP
ME197831
65103
-
4.025
506.9955
ADP-RIBOSE (CAS# ); (M-H)-
ADP-ribose
ME197770
33576
-
0.836
559.0718
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)-
UDP-galactose
ME198008
44134987
-
1.083
566.0557
UDP-GLUCOSE (CAS# 133-89-1); (M-H)-
UDP-glucose
ME198009
53477679
-
1.083
566.0557
BILIVERDIN (CAS# 114-25-0); (M-H)-
Biliverdin
ME197787
5280353
-
18.55
582.2521
ADPGLUCOSE (CAS# ); (M-H)-
ADP-glucose
ME197771
16500
-
1.052
589.0819
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-...
-
ME197878
451
-
1.052
589.0821
GDPGLUCOSE (CAS# ); (M-H)-
GDP-glucose
ME197856
644106
-
1.705
605.0726
GDPMANNOSE (CAS# ); (M-H)-
GDP-mannose
ME197857
18396
-
0.895
605.0771
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)-
UDP-N-acetylglucosamine
ME198012
445675
-
1.07
607.0815
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)-
UDP-N-acetylgalactosamine
ME198011
23724461
-
0.859
607.0825
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)+[-H2O]
UDP-N-acetylgalactosamine
ME198010
23724461
-
0.814
607.0868
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2
Oxidized glutathione
ME197953
65359
-
1.016
612.149
GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Glutathione
ME197871
124886
-
1.367
612.1523
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Oxidized glutathione
ME197954
65359
-
1.367
612.1523
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME197791
46891735
-
23.187
643.4966
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME197790
46891735
-
23.017
643.508
NAD (CAS# 53-84-9); (M-H)-
NAD
ME197939
5893
-
1.041
663.1088
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (CAS# 22052...
Nicotinamide purin-6-ol-dinucleotide
ME197941
440334
-
0.888
664.0952
STACHYOSE (CAS# 54261-98-2); (M-H)-
Stachyose
ME197987
439531
-
0.626
666.2218
DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)-
3'-Dephospho-CoA
ME197833
444485
-
3.774
687.1504
PROPENOATE (CAS# 79-10-7); (M-H)-
Acrylic acid
ME197970
6581
-
1.222
72.0218
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS...
NAADP
ME197942
52942300
-
1.275
744.0604
GLYCINE (CAS# 56-40-6); (M-H)-
Glycine
ME197874
750
-
0.826
75.0326
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-
PC 16:0_18:0
ME197717
18631368
-
25.842
761.5868
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-
PC 16:0_18:0
ME197718
18631368
-
25.672
761.5894
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)...
FAD
ME197846
643975
-
6.326
785.1576
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-
SM 18:1;O2/24:0
ME197732
44260127
-
28.064
814.696
DIACETYL (CAS# 431-03-8); (M+HCOO)-
Diacetyl
ME197836
650
-
2.062
86.0364
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-
gamma-Butyrolactone
ME197853
7302
-
2.062
86.0364
PYRUVATE (CAS# 127-17-3); (M-H)-
Pyruvic acid
ME197974
1060
-
0.778
88.0166
BETA-ALANINE (CAS# 107-95-9); (M-H)-
beta-Alanine
ME197784
239
-
0.682
89.0479
OXALATE (CAS# 144-62-7); (M-H)-
Oxalic acid
ME197951
971
-
0.782
89.996
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
Glyceraldehyde
ME197872
79014
-
1.632
90.0314
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...
1-Aminocyclopropanecarboxylic acid
ME198029
5460234
-
1.033
101.0478
ACETOACETATE (CAS# 541-50-4); (M+H)+
Acetoacetic acid
ME198077
96
-
2.534
102.0317
CADAVERINE (CAS# 462-94-2); (M+NA)+
Cadaverine
ME198099
273
-
0.799
102.1157
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME198053
64956
-
1.827
103.0633
CHOLINE (CAS# 62-49-7); M+
Choline
ME198105
305
-
0.674
104.1076
SERINE (CAS# 56-45-1); (M+H)+
Serine
ME198247
617
-
1.041
105.0419
PROLINE (CAS# 147-85-3); (M+H)+
Proline
ME198234
145742
-
0.715
115.0634
PROLINE (CAS# 147-85-3); (M+NA)+
Proline
ME198235
145742
-
0.705
115.0642
BETAINE (CAS# 107-43-7); (M+NA)+
Betaine
ME198096
247
-
0.498
117.0785
VALINE (CAS# 72-18-4); (M+NA)+
Valine
ME198273
6287
-
0.564
117.0785
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+
5-Aminopentanoic acid
ME198070
138
-
0.814
117.079
BETAINE (CAS# 107-43-7); (M+H)+
Betaine
ME198095
247
-
0.738
117.079
NORVALINE (CAS# 6600-40-4); (M+H)+
Norvaline
ME198219
65098
-
0.899
117.079
VALINE (CAS# 72-18-4); (M+H)+
Valine
ME198272
6287
-
0.899
117.079
NORVALINE (CAS# 6600-40-4); M+[-CO2H]
Norvaline
ME198220
65098
-
0.898
117.0797
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]
Allothreonine
ME198169
99289
-
0.966
119.0584
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]
Threonine
ME198257
6288
-
1.032
119.0584
PURINE (CAS# 120-73-0); (M+H)+
Purine
ME198237
1044
-
1.401
120.0432
PURINE (CAS# 120-73-0); (M+NA)+
Purine
ME198238
1044
-
1.451
120.0432
NICOTINAMIDE (CAS# 98-92-0); (M+H)+
Niacinamide
ME198215
936
-
1.137
122.0477
1-PHENYLETHANOL (CAS# 1445-91-6); (M+H)+[-H2O]
1-Phenylethanol
ME198034
7409
-
2.896
122.0731
IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+
Imidazoleacetic acid
ME198160
96215
-
0.814
126.0424
THYMINE (CAS# 65-71-4); (M+H)+
Thymine
ME198258
1135
-
1.729
126.0427
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+
N-Cyclohexylformamide
ME198204
13017
-
7.961
127.0992
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+
N-Cyclohexylformamide
ME198205
13017
-
7.949
127.0995
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+
Pyroglutamic acid
ME198072
7405
-
1.162
129.0427
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+
Citraconic acid
ME198046
643798
-
2.531
130.0269
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)...
Ketoleucine
ME198064
70
-
4.728
130.0639
N-ACETYLPUTRESCINE (CAS# 18233-70-0); (M+H)+
N-Acetylputrescine
ME198202
122356
-
0.572
130.1105
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+
N-Acetylalanine
ME198198
88064
-
1.371
131.058
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+
N-Acetylalanine
ME198196
88064
-
1.225
131.0585
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O]
N-Acetylalanine
ME198197
88064
-
1.278
131.0588
CREATINE (CAS# 57-00-1); (M+H)+
Creatine
ME198113
586
-
0.694
131.0695
ISOLEUCINE (CAS# 73-32-5); (M+H)+
Isoleucine
ME198165
6306
-
1.616
131.0946
LEUCINE (CAS# 328-39-2); (M+H)+
Leucine
ME198176
6106
-
1.616
131.0946
NORLEUCINE (CAS# 327-57-1); (M+H)+
Norleucine
ME198217
21236
-
1.616
131.0946
MALATE (CAS# 636-61-3); (M+NA)+
Malic acid
ME198180
222656
-
1.099
134.0203
ADENINE (CAS# 73-24-5); (M+H)+
Adenine
ME198079
190
-
0.922
135.0545
VITAMIN B12 (CAS# 68-19-9); (M+2H)+2
Vitamin B12
ME198274
118701016
-
7.005
1354.5598
VITAMIN B12 (CAS# 68-19-9); (M+2NA)+2
Vitamin B12
ME198275
118701016
-
7.011
1354.5677
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+
Hypoxanthine
ME198159
790
-
1.131
136.0385
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+
Trigonelline
ME198209
5570
-
0.711
137.0468
1-METHYLNICOTINAMIDE (CAS# ); M+
1-Methyl nicotinamide
ME198031
457
-
0.677
137.0709
L-HISTIDINOL (CAS# 4836-52-6); (M+H)+
L-Histidinol
ME198174
165271
-
0.316
141.0912
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+
4-Acetamidobutanoic acid
ME198061
18189
-
1.854
145.0744
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+
3-Dehydroxycarnitine
ME198054
725
-
0.701
145.1091
SPERMIDINE (CAS# 124-20-9); (M+H)+
Spermidine
ME198249
1102
-
0.579
145.1578
GLUTAMINE (CAS# 56-85-9); (M+NA)+
Glutamine
ME198147
5961
-
0.699
146.07
ACETYLCHOLINE (CAS# 51-84-3); M+
Acetylcholine
ME198078
187
-
3.911
146.1168
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]
Glutamic acid
ME198146
33032
-
0.83
147.0536
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]
N-Acetylserine
ME198194
65249
-
0.9
147.0536
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+
N-Acetylserine
ME198195
65249
-
0.829
147.0544
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+
N-Methyl-D-aspartic acid
ME198207
4376
-
0.829
147.0544
GLUTAMATE (CAS# 56-86-0); (M+H)+
Glutamic acid
ME198145
33032
-
0.68
147.0545
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+
N-Acetylserine
ME198193
65249
-
0.78
147.0545
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+
N-Methyl-D-aspartic acid
ME198206
4376
-
0.68
147.0545
METHIONINE (CAS# 63-68-3); (M+H)+
Methionine
ME198182
6137
-
1.026
149.0511
3-METHYLADENINE (CAS# 5142-23-4); (M+NA)+
3-Methyladenine
ME198058
1673
-
0.97
149.071
GUANINE (CAS# 73-40-5); (M+H)+
Guanine
ME198152
764
-
1.029
151.0479
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)...
Acetaminophen
ME198076
1983
-
3.019
151.0633
XANTHINE (CAS# 69-89-6); (M+H)+
Xanthine
ME198276
1188
-
1.165
152.0329
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+
4-Hydroxyphenyl acetate
ME198063
127
-
4.71
152.0459
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...
3-Amino-4-hydroxybenzoic acid
ME198052
65083
-
1.423
153.0416
AHBA (CAS# 76045-71-1); (M+H)+
3-Amino-5-hydroxybenzoic acid
ME198085
127115
-
1.426
153.0416
L-HISTIDINE (CAS# 71-00-1); (M+H)+
Histidine
ME198173
6274
-
0.814
155.0692
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+
Indoleacetaldehyde
ME198161
800
-
1.853
159.0698
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+
3-Methyladipic acid
ME198059
12292
-
5.718
160.0746
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+
Pimelic acid
ME198074
385
-
5.723
160.0746
TRYPTAMINE (CAS# 61-54-1); (M+H)+
Tryptamine
ME198262
1150
-
3.842
160.0994
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+
N-Methyl-glutamic acid
ME198208
439377
-
1.958
161.07
L-CARNITINE (CAS# 541-15-1); (M+H)+
Carnitine
ME198172
10917
-
0.682
161.105
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...
3-Hydroxymethylglutaric acid
ME198055
1662
-
1.963
162.0513
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA...
3-Hydroxymethylglutaric acid
ME198056
1662
-
1.655
162.0536
NICOTINE (CAS# 54-11-5); (M+H)+
Nicotine
ME198216
157672
-
1.301
162.1141
PHENYLALANINE (CAS# 63-91-2); (M+NA)+
Phenylalanine
ME198232
6140
-
2.492
165.0774
PHENYLALANINE (CAS# 63-91-2); (M+H)+
Phenylalanine
ME198231
6140
-
2.508
165.0777
PYRIDOXAL (CAS# 66-72-8); (M+H)+
Pyridoxal
ME198240
1050
-
1.089
167.0579
PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O]
Pyridoxal
ME198241
1050
-
2.095
167.0596
PYRIDOXINE (CAS# 65-23-6); (M+H)+
Pyridoxine
ME198242
1054
-
1.148
169.0728
DECANOATE (CAS# 334-48-5); (2M+NA)+
Capric acid
ME198122
2969
-
22.786
172.1458
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+
4-Quinolinecarboxylic acid
ME198066
10243
-
2.22
173.0482
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+
N-Acetylleucine
ME198199
75619
-
7.173
173.1053
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+NA)+
1H-Indole-3-acetamide
ME198162
397
-
5.498
174.0788
SUBERIC ACID (CAS# 505-48-6); (M+NA)+
Suberic acid
ME198250
10457
-
8.282
174.0902
L-ARGININE (CAS# 74-79-3); (M+H)+
Arginine
ME198170
6322
-
0.702
174.1105
CITRULLINE (CAS# 372-75-8); (M+H)+
Citrulline
ME198110
9750
-
0.509
175.0951
CITRULLINE (CAS# 372-75-8); (M+NA)+
Citrulline
ME198111
9750
-
0.729
175.0974
DEBRISOQUIN (CAS# 581-88-4); (M+H)+
Debrisoquine
ME198121
2966
-
5.145
175.11
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O]
1,2,3-Propanetricarboxylic acid
ME198261
14925
-
1.391
176.0308
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]
Vitamin C
ME198090
54670067
-
1.131
176.031
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...
-
ME198171
16217579
-
0.837
176.1071
HIPPURATE (CAS# 495-69-2); (M+NA)+
Hippuric acid
ME198157
464
-
4.773
179.059
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O]
Galactosamine
ME198115
3034366
-
0.893
179.0792
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O]
2-Amino-2-deoxy-D-mannose
ME198118
3034366
-
0.893
179.0792
D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+
Galactosamine
ME198116
3034366
-
0.9
179.0807
D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+
Glucosamine
ME198117
439213
-
0.903
179.0807
D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+
2-Amino-2-deoxy-D-mannose
ME198119
3034366
-
0.903
179.0807
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]
Allose
ME198087
439507
-
1.962
180.0619
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]
Glucose
ME198143
5793
-
1.041
180.0627
FRUCTOSE (CAS# 57-48-7); (M+NA)+
Fructose
ME198136
5984
-
0.757
180.0631
GLUCOSE (CAS# 50-99-7); (M+NA)+
Glucose
ME198144
5793
-
0.757
180.0631
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+
Myo-inositol
ME198185
892
-
0.69
180.0638
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O]
Allose
ME198088
439507
-
1.655
180.0641
PARAXANTHINE (CAS# 611-59-6); (M+NA)+
Paraxanthine
ME198230
4687
-
4.515
180.065
TYROSINE (CAS# 60-18-4); (M+NA)+
Tyrosine
ME198267
6057
-
1.23
181.0725
TYROSINE (CAS# 60-18-4); (M+H)+
Tyrosine
ME198266
6057
-
1.34
181.0736
HOMOVANILLATE (CAS# 306-08-1); (M+H)+
Homovanillic acid
ME198158
1738
-
5.721
182.0585
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+
4-Pyridoxic acid
ME198065
6723
-
1.946
183.0531
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+
Choline phosphate
ME198106
1014
-
0.812
183.0658
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]
Normetanephrine
ME198218
688100
-
2.572
183.0882
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4);...
Vanylglycol
ME198062
688030
-
2.531
184.0748
AZELAIC ACID (CAS# 123-99-9); (M+NA)+
Azelaic acid
ME198091
2266
-
10.766
188.1057
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+
N(2)-Acetyllysine
ME198203
92907
-
0.972
188.1155
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+
10-Hydroxydecanoic acid
ME198035
6991989
-
13.181
188.1414
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+
N-Acetylglutamic acid
ME198188
185
-
1.313
189.064
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...
N-Acetylglutamic acid
ME198190
185
-
1.21
189.0642
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+...
N-Acetylglutamic acid
ME198189
185
-
1.266
189.065
BOC-ALA-OH (CAS# 15761-38-3); (M+NA)+
-
ME198098
85082
-
9.462
189.1015
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+
5-Hydroxyindoleacetic acid
ME198071
1826
-
4.078
191.0597
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+
N-Acetylmethionine
ME198191
448580
-
4.078
191.0605
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+
N-Acetylmethionine
ME198192
448580
-
4.08
191.0621
CITRATE (CAS# 77-92-9); (M+NA)+
Citric acid
ME198109
311
-
1.06
192.0273
TRANS-3'-HYDROXYCOTININE (CAS# 34834-67-8); (M+NA)...
trans-3-Hydroxycotinine
ME198260
107963
-
1.011
192.0918
GALACTURONIC ACID (CAS# 91510-62-2); (M+NA)+[-H2O]
Galacturonic acid
ME198137
84740
-
0.558
194.0434
FERULATE (CAS# 1135-24-6); (M+H)+[-H2O]
trans-Ferulic acid
ME198132
445858
-
7.646
194.0561
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...
Methyl beta-D-galactoside
ME198183
94214
-
0.922
194.0788
PINITOL (CAS# 10284-63-6); (M+NA)+
Pinitol
ME198233
164619
-
0.922
194.0788
TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+NA)+
Tryptophanamide
ME198265
439356
-
2.523
203.106
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+
CAR 2:0
ME198221
18230
-
0.968
203.115
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...
N6-Isopentenyladenine
ME198211
92180
-
7.702
203.1184
TRYPTOPHAN (CAS# 73-22-3); (M+H)+
Tryptophan
ME198263
6305
-
3.651
204.0894
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+
Tryptophan
ME198264
6305
-
3.65
204.0901
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+
Tryptophan
ME198175
16217285
-
3.651
206.0858
KYNURENINE (CAS# 343-65-7); (M+H)+
Kynurenine
ME198167
161166
-
2.23
208.0849
KYNURENINE (CAS# 343-65-7); (M+NA)+
Kynurenine
ME198168
161166
-
2.229
208.0853
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+
Jasmonic acid
ME198166
5281166
-
13.194
210.1252
BENZOIN (CAS# 119-53-9); (M+NA)+
Benzoin
ME198092
667422
-
13.145
212.0852
ABRINE (CAS# 526-31-8); (M+H)+
N(alpha)-Methyl-tryptophan
ME198075
160511
-
3.558
218.1035
PANTOTHENATE (CAS# 79-83-4); (M+H)+
Pantothenic acid
ME198228
6613
-
3.276
219.1086
PANTOTHENATE (CAS# 79-83-4); (M+NA)+
Pantothenic acid
ME198229
6613
-
3.272
219.1108
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+
cis-Zeatin
ME198108
688597
-
3.931
219.1121
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+
trans-Zeatin
ME198277
449093
-
3.931
219.1121
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H...
N-Acetyl-D-glucosamine
ME198186
446101
-
0.875
221.0888
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2...
N-Acetyl-D-galactosamine
ME198200
35717
-
0.902
221.0888
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+
N-Acetyl-D-galactosamine
ME198201
35717
-
1.063
221.0907
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+
Methyl jasmonate
ME198184
5281929
-
15.966
224.1403
CARNOSINE (CAS# 305-84-0); (M+H)+
Carnosine
ME198101
439224
-
0.584
226.1049
N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+H)+
N1-Acetylspermine
ME198210
916
-
0.785
244.226
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+
N-Acetyl-D-tryptophan
ME198187
439917
-
8.026
246.1017
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME198139
123938
-
1.005
250.0626
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME198138
123938
-
1.152
250.0648
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+H)+
5'-Deoxyadenosine
ME198067
439182
-
2.783
251.102
2'-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+
Deoxyinosine
ME198045
65058
-
2.108
252.0842
2'-DEOXYINOSINE (CAS# 890-38-0); (2M+NA)+
Deoxyinosine
ME198043
65058
-
2.096
252.0863
2'-DEOXYINOSINE (CAS# 890-38-0); (M+H)+
Deoxyinosine
ME198044
65058
-
2.129
252.0873
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME198248
439285
-
0.724
257.103
THIAMIN (CAS# 59-43-8); M+
Thiamine
ME198256
1130
-
0.683
265.1126
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+
Deoxyguanosine
ME198042
187790
-
1.786
267.0965
ADENOSINE (CAS# 58-61-7); (M+H)+
Adenosine
ME198080
60961
-
1.77
267.0965
2'-DEOXYGUANOSINE (CAS# 961-07-9); (2M+H)+
Deoxyguanosine
ME198041
187790
-
1.417
267.0994
INOSINE (CAS# 58-63-9); (M+NA)+
Inosine
ME198164
6021
-
1.832
268.0811
INOSINE (CAS# 58-63-9); (M+H)+
Inosine
ME198163
6021
-
1.717
268.0821
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+
alpha-Linolenic acid
ME198089
5280934
-
22.835
278.2223
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+
gamma-Linolenic acid
ME198140
5280933
-
22.835
278.2223
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+
1-Methyladenosine
ME198030
27476
-
3.032
281.1125
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+
cis-Vaccenic acid
ME198107
5282761
-
22.928
282.2534
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+
Elaidic acid
ME198130
637517
-
22.805
282.2558
OLEIC ACID (CAS# 112-80-1); (M+NA)+
Oleic acid
ME198222
445639
-
22.527
282.2564
GUANOSINE (CAS# 118-00-3); (M+NA)+
Guanosine
ME198154
6802
-
1.823
283.091
GUANOSINE (CAS# 118-00-3); (M+H)+
Guanosine
ME198153
6802
-
1.749
283.0918
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+
Ophthalmic acid
ME198223
7018721
-
1.246
289.1253
EDTA (CAS# 60-00-4); (M+NA)+
Edetic acid
ME198129
6049
-
1.173
292.0909
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+
5'-Methylthioadenosine
ME198068
439176
-
4.524
297.0898
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+
5'-Methylthioadenosine
ME198069
439176
-
4.53
297.0899
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...
MG 14:0
ME198243
79050
-
22.155
302.2446
DESLORATADINE (CAS# 100643-71-8); (M+H)+
Desloratadine
ME198125
124087
-
10.139
310.1267
MELANIN (CAS# 8049-97-6); (M+H)+
Melanin
ME198181
6325610
-
1.192
318.0665
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...
3beta-Hydroxy-5alpha-pregnan-20-one
ME198060
92787
-
20.766
318.2537
DAMP (CAS# 653-63-4); (M+H)+
dAMP
ME198120
12599
-
1.047
331.0654
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+
LTB4
ME198177
5280492
-
20.737
336.2284
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]
LTB4
ME198178
5280492
-
20.897
336.2298
CELLOBIOSE (CAS# 528-50-7); (M+NA)+
Cellobiose
ME198102
294
-
1.036
342.1131
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME198094
439186
-
1.039
342.1155
PALATINOSE (CAS# 343336-76-5); (M+NA)+
Palatinose
ME198226
439559
-
1.039
342.1155
SUCROSE (CAS# 57-50-1); (M+NA)+
Sucrose
ME198251
5988
-
1.039
342.1155
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+
AMP
ME198083
6083
-
0.977
347.0632
DGMP (CAS# 902-04-5); (M+H)+
dGMP
ME198128
6994968
-
1.345
347.0635
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M+H)+
AMP
ME198082
6083
-
1.17
347.0653
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+
PGE2
ME198236
5280360
-
16.589
352.2227
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O...
MG 18:1
ME198032
5283468
-
22.87
356.2905
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+
MG 18:1
ME198033
5283468
-
22.705
356.2933
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...
Thyrotropin releasing hormone
ME198259
638678
-
1.28
362.17
CORTISOL (CAS# 50-23-7); (M+NA)+
Cortisol
ME198112
5754
-
13.833
362.21
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M+H)+
GMP
ME198155
6804
-
0.986
363.0544
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M+H)+
GMP
ME198156
6804
-
0.983
363.0583
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+
Lithocholic acid
ME198179
9903
-
22.302
376.3009
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+
S-Adenosylhomocysteine
ME198244
439155
-
1.545
384.1239
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O]
Desmosterol
ME198126
439577
-
24.146
384.3367
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...
Lathosterol
ME198073
65728
-
24.572
386.3549
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]
Cholesterol
ME198104
5997
-
24.572
386.3549
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...
Bis(2-ethylhexyl)phthalate
ME198097
8343
-
23.099
390.2777
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+
Deoxycholic acid
ME198123
222528
-
21.696
392.2901
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+
Deoxycholic acid
ME198124
222528
-
21.755
392.2911
URSODIOL (CAS# 128-13-2); (M+NA)+
Ursodeoxycholic acid
ME198271
31401
-
21.734
392.2911
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+
S-Adenosylmethionine
ME198245
34755
-
0.776
398.1387
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+
CAR 16:0
ME198227
11953816
-
21.335
399.335
CALCIDIOL (CAS# 19356-17-3); (M+NA)+
25-Hydroxyvitamin D3
ME198100
5283731
-
22.764
400.3344
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+NA)+
25-Hydroxycholesterol
ME198051
65094
-
23.063
402.3473
CHOLATE (CAS# 81-25-4); (M+NA)+
Cholic acid
ME198103
221493
-
20.342
408.2849
DGDP (CAS# 653-63-4); (M+H)+
dGDP
ME198127
439220
-
1.038
427.0266
ADENOSINE 5'-DIPHOSPHATE (CAS# 58-64-0); (M+H)+
ADP
ME198081
6022
-
0.936
427.0294
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O]
Glycolithocholic acid
ME198151
115245
-
21.674
433.3218
FOLIC ACID (CAS# 59-30-3); (M+NA)+
Folic acid
ME198135
6037
-
5.934
441.1389
FOLIC ACID (CAS# 59-30-3); (M+H)+
Folic acid
ME198134
6037
-
5.928
441.1404
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+
LPE 18:0
ME198040
9547068
-
22.476
481.3177
18:0 LYSO-PE (CAS# 69747-55-3); (2M+H)+
LPE 18:0
ME198039
9547068
-
22.786
481.3203
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+
Taurolithocholic acid
ME198253
439763
-
21.653
483.2971
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+
Taurolithocholic acid
ME198255
439763
-
21.609
483.3024
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O]
Taurolithocholic acid
ME198254
439763
-
22.065
483.3036
TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+H)+
Taurolithocholic acid
ME198252
439763
-
21.891
483.3052
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H...
CDP-choline
ME198114
13804
-
0.69
488.1062
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+
LPC 16:0
ME198036
460602
-
22.274
495.3328
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+
LPC 16:0
ME198037
460602
-
22.331
495.3341
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+
LPC 20:0
ME198048
24779473
-
23.261
551.3936
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+
LPC 20:0
ME198049
24779473
-
22.872
551.3958
ADP-RIBOSE (CAS# ); (M+H)+[-H2O]
ADP-ribose
ME198084
33576
-
1.057
559.0676
GDPGLUCOSE (CAS# ); (M+NA)+
GDP-glucose
ME198141
644106
-
1.492
605.0755
GDPMANNOSE (CAS# ); (M+H)+
GDP-mannose
ME198142
18396
-
0.964
605.0759
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)...
UDP-N-acetylglucosamine
ME198270
445675
-
1.191
607.0784
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+
UDP-N-acetylgalactosamine
ME198268
23724461
-
0.842
607.0812
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+
UDP-N-acetylglucosamine
ME198269
445675
-
1.502
607.0862
ETHANOLAMINE (CAS# 141-43-5); (2M+NA)+[-H2O]
Ethanolamine
ME198131
700
-
0.823
61.0531
GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Glutathione
ME198148
124886
-
1.365
612.152
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Oxidized glutathione
ME198225
65359
-
1.365
612.152
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2
Glutathione
ME198149
124886
-
1.367
612.1542
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2
Oxidized glutathione
ME198224
65359
-
1.367
612.1542
NAD (CAS# 53-84-9); (M+NA)+
NAD
ME198214
5893
-
1.048
663.1088
NAD (CAS# 53-84-9); (M+2H)+2
NAD
ME198212
5893
-
1.058
663.1101
NAD (CAS# 53-84-9); (M+H)+
NAD
ME198213
5893
-
1.037
663.1104
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+
PC 16:0_18:0
ME198038
18631368
-
25.672
761.5948
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)...
FAD
ME198133
643975
-
6.401
785.1583
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+
SM 18:1;O2/24:0
ME198050
44260127
-
28.101
814.6984
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+
3-Methyl-2-butenal
ME198057
61020
-
2.508
84.058
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...
2-Methylpropanal oxime
ME198047
9023
-
0.903
87.0691
PUTRESCINE (CAS# 110-60-1); (M+H)+
Putrescine
ME198239
1045
-
0.541
88.1004
BETA-ALANINE (CAS# 107-95-9); (M+H)+
beta-Alanine
ME198093
239
-
0.691
89.048
SARCOSINE (CAS# 107-97-1); (M+H)+
Sarcosine
ME198246
1088
-
0.695
89.048
ALANINE (CAS# 56-41-7); (M+H)+
Alanine
ME198086
5950
-
1.429
89.0482
GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O]
Glyceraldehyde
ME198150
79014
-
1.656
90.0324
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