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Return to study ST000694 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
ACETOACETATE (CAS# 541-50-4); (M-H)-
Acetoacetic acid
ME194758
96
-
2.884
102.0323
PENTANOATE (CAS# 109-52-4); (M+HCOO)-
Valeric acid
ME195004
7991
-
2.139
102.0678
SERINE (CAS# 56-45-1); (M-H)-
Serine
ME195036
617
-
0.65
105.0427
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)-
Benzaldehyde
ME194777
240
-
4.688
106.0412
CATECHOL (CAS# 120-80-9); (M-H)-
Pyrocatechol
ME194791
289
-
2.665
110.0368
URACIL (CAS# 66-22-8); (M-H)-
Uracil
ME195070
1174
-
0.972
112.0263
MALEAMATE (CAS# 557-24-4); (M-H)-
Maleamate
ME194942
5280451
-
0.831
115.0264
MALEIC ACID (CAS# 110-16-7); (M-H)-
Maleic acid
ME194943
444266
-
0.785
116.0114
FUMARATE (CAS# 110-17-8); (M-H)-
Fumaric acid
ME194860
444972
-
1.259
116.0115
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-
N-Acetylglycine
ME194973
1097
-
0.87
117.0423
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-
5-Aminopentanoic acid
ME194749
138
-
0.794
117.0788
VALINE (CAS# 72-18-4); (M-H)-
Valine
ME195080
6287
-
0.88
117.0788
METHYLMALONATE (CAS# 516-05-2); (M-H)-
Methylmalonic acid
ME194955
487
-
1.319
118.027
SUCCINATE (CAS# 110-15-6); (M-H)-
Succinic acid
ME195046
1110
-
1.319
118.027
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME194714
853180
-
3.517
118.0629
L-ALLOTHREONINE (CAS# 28954-12-3); (M-H)-
Allothreonine
ME194913
99289
-
0.67
119.0574
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]
Threonine
ME195051
6288
-
0.672
119.058
HOMOSERINE (CAS# 672-15-1); (M-H)-
Homoserine
ME194896
12647
-
0.67
119.0582
PURINE (CAS# 120-73-0); (M-H)-
Purine
ME195017
1044
-
1.295
120.0426
NICOTINATE (CAS# 59-67-6); (M-H)-
Nicotinic acid
ME194986
938
-
0.89
123.032
PICOLINIC ACID (CAS# 98-98-6); (M-H)-
Picolinic acid
ME195010
1018
-
0.858
123.032
TAURINE (CAS# 107-35-7); (M-H)-
Taurine
ME195049
1123
-
0.656
125.0148
N-ETHYLMALEIMIDE (CAS# 128-53-0); (M-H)-
N-Ethylmaleimide
ME194980
4362
-
3.389
125.0468
THYMINE (CAS# 65-71-4); (M-H)-
Thymine
ME195057
1135
-
1.708
126.043
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
Pyroglutamic acid
ME194755
7405
-
1.194
129.0424
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-
Citraconic acid
ME194717
643798
-
2.309
130.0261
ITACONATE (CAS# 97-65-4); (M-H)-
Itaconic acid
ME194909
811
-
1.782
130.0264
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-
Ketoleucine
ME194740
70
-
4.825
130.063
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-
Ketoleucine
ME194741
70
-
4.825
130.063
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...
3-Methyl-2-oxovaleric acid
ME194695
47
-
4.417
130.0633
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
N-Acetylalanine
ME194967
88064
-
1.508
131.0579
CREATINE (CAS# 57-00-1); (M-H)-
Creatine
ME194810
586
-
0.694
131.0689
ISOLEUCINE (CAS# 73-32-5); (M-H)-
Isoleucine
ME194908
6306
-
1.624
131.0945
LEUCINE (CAS# 328-39-2); (M-H)-
Leucine
ME194932
6106
-
1.639
131.0945
NORLEUCINE (CAS# 327-57-1); (M-H)-
Norleucine
ME194987
21236
-
1.639
131.0945
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
Ethylmalonic acid
ME194855
11756
-
2.633
132.0413
GLUTARATE (CAS# 110-94-1); (M-H)-
Glutaric acid
ME194881
743
-
2.042
132.0417
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)-
Ureidopropionic acid
ME194731
111
-
0.684
132.0525
ASPARAGINE (CAS# 70-47-3); (M-H)-
Asparagine
ME194772
6267
-
0.684
132.0525
D-ORNITHINE (CAS# 348-66-3); (M-H)-
D-Ornithine
ME194824
6262
-
0.668
132.0886
L-ORNITHINE (CAS# 70-26-8); (M-H)-
Ornithine
ME194922
6262
-
0.668
132.0886
ASPARTATE (CAS# 56-84-8); (M-H)-
Aspartic acid
ME194773
5960
-
0.666
133.038
MALATE (CAS# 97-67-6); (M-H)-
Malic acid
ME194941
222656
-
0.748
134.0215
MALATE (CAS# 97-67-6); (M-H)+[-H2O]
Malic acid
ME194940
222656
-
0.761
134.0228
HYPOXANTHINE (CAS# 68-94-0); (M-H)-
Hypoxanthine
ME194899
790
-
1.098
136.0381
PHENYL ACETATE (CAS# 122-79-2); (M-H)-
Phenyl acetate
ME195006
999
-
3.842
136.0525
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
Phenyl acetate
ME195005
999
-
3.799
136.0525
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-
4-Hydroxybenzoic acid
ME194738
135
-
4.025
138.0308
SALICYLATE (CAS# 69-72-7); (M-H)-
Salicylic acid
ME195033
338
-
7.732
138.0319
UROCANATE (CAS# 104-98-3); (M-H)-
Urocanic acid
ME195077
736715
-
0.942
138.0419
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
2-Aminobenzoic acid
ME194927
227
-
5.349
138.0446
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
4-Nitrophenol
ME194744
980
-
7.018
139.027
6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M-H)-
6-Hydroxynicotinic acid
ME194757
72924
-
1.672
139.0273
L-HISTIDINOL (CAS# 4836-52-6); (M-H)-
L-Histidinol
ME194921
165271
-
0.687
141.0891
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...
Cycloheptanecarboxylic acid
ME194811
15091
-
10.707
142.0994
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-
4-Acetamidobutanoic acid
ME194734
18189
-
1.646
145.0728
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)-
2-Oxoglutaric acid
ME194767
51
-
0.906
146.0221
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
2-Methylglutaric acid
ME194716
12046
-
3.543
146.0581
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-
Methylglutaric acid
ME194729
12284
-
3.542
146.0581
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-
Adipic acid
ME194762
196
-
3.542
146.0581
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-
Monomethyl glutaric acid
ME194957
73917
-
3.542
146.0581
GLUTAMINE (CAS# 56-85-9); (M-H)-
Glutamine
ME194880
5961
-
0.653
146.0683
LYSINE (CAS# 56-87-1); (M-H)-
Lysine
ME194939
5962
-
0.621
146.1048
GLUTAMATE (CAS# 56-86-0); (M-H)-
Glutamic acid
ME194879
33032
-
0.672
147.0525
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-
N-Acetylserine
ME194966
65249
-
0.672
147.0525
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-
N-Methyl-D-aspartic acid
ME194981
4376
-
0.672
147.0525
CITRAMALATE (CAS# 2306-22-1); (M-H)-
Citramalic acid
ME194802
441696
-
1.406
148.0368
MEVALONIC ACID (CAS# 674-26-0); (M-H)-
Mevalonic acid
ME194956
439230
-
1.638
148.0726
METHIONINE (CAS# 63-68-3); (M-H)-
Methionine
ME194952
6137
-
1.017
149.0505
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...
2-Hydroxy-4-(methylthio)butanoic acid
ME194715
11427
-
3.356
150.0343
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-
Lyxose
ME194822
65550
-
0.678
150.0514
D-LYXOSE (CAS# 1114-34-7); (M-H)-
Lyxose
ME194823
65550
-
0.714
150.0515
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-
Arabinose
ME194817
66308
-
0.68
150.0519
XYLOSE (CAS# 58-86-6); (M+HCOO)-
Xylose
ME195085
135191
-
0.682
150.052
D-LYXOSE (CAS# 1114-34-7); (M+CL)-
Lyxose
ME194821
65550
-
0.702
150.0525
RIBOSE (CAS# 50-69-1); (M+CL)-
Ribose
ME195028
5779
-
0.701
150.0525
GUANINE (CAS# 73-40-5); (M-H)-
Guanine
ME194889
764
-
0.884
151.0489
XANTHINE (CAS# 69-89-6); (M-H)-
Xanthine
ME195081
1188
-
1.293
152.0334
MANDELIC ACID (CAS# 611-71-2); (M-H)-
Mandelic acid
ME194946
11914
-
6.79
152.0465
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-
4-Hydroxyphenyl acetate
ME194739
127
-
4.741
152.0467
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-
3-Hydroxyphenylacetic acid
ME194727
12122
-
7.632
152.0471
ARABITOL (CAS# 7643-75-6); (M+CL)-
Arabitol
ME194769
94154
-
0.844
152.0678
RIBITOL (CAS# 488-81-3); (M+CL)-
Ribitol
ME195024
94154
-
0.88
152.0696
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)-
4-Nitrocatechol
ME194743
3505109
-
5.36
155.0221
L-HISTIDINE (CAS# 71-00-1); (M-H)-
Histidine
ME194920
6274
-
0.642
155.0689
OROTATE (CAS# 65-86-1); (M-H)-
Orotic acid
ME194995
967
-
0.872
156.016
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)-
Uracil-5-carboxylic acid
ME195071
6971263
-
1.027
156.016
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-
4,5-Dihydroorotic acid
ME194696
1149667
-
0.81
158.0336
ALLANTOIN (CAS# 97-59-6); (M-H)-
Allantoin
ME194764
439714
-
0.684
158.0433
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M-H)-
Indoleacetaldehyde
ME194901
800
-
3.427
159.0683
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-
Oxoadipic acid
ME194718
71
-
1.009
160.0371
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-
3-Methyladipic acid
ME194730
12292
-
5.678
160.0726
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-
Pimelic acid
ME194756
385
-
5.679
160.0726
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...
3-Hydroxymethylglutaric acid
ME194725
1662
-
1.629
162.0518
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME195012
83228
-
0.557
162.0998
PTERIN (CAS# 2236-60-4); (M-H)-
Pterin
ME195016
73000
-
1.536
163.0505
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-
Phenylpyruvic acid
ME195008
997
-
5.421
164.0466
4-COUMARATE (CAS# 501-98-4); (M-H)-
cis-p-Coumaric acid
ME194736
637542
-
6.899
164.0468
L-RHAMNOSE (CAS# 10030-85-0); (M-H)-
Rhamnose
ME194925
25310
-
0.931
164.067
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-
2-Deoxy-glucose
ME194713
439268
-
0.742
164.0671
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-
Rhamnose
ME194924
25310
-
0.718
164.0671
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-
2-Deoxy-glucose
ME194712
439268
-
0.81
164.0675
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-
Rhamnose
ME194923
25310
-
0.81
164.0679
PHENYLALANINE (CAS# 63-91-2); (M-H)-
Phenylalanine
ME195007
6140
-
2.531
165.079
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-
4-Nitrobenzoic acid
ME194742
101532566
-
8.469
167.0219
URATE (CAS# 69-93-2); (M-H)-
Uric acid
ME195072
1175
-
1.031
168.0283
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-
sn-Glycero-2-phosphate
ME194884
2526
-
0.825
172.0137
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M-H)-
3-Dehydroshikimate
ME194724
439774
-
0.883
172.0364
DECANOATE (CAS# 334-48-5); (M-H)-
Capric acid
ME194828
2969
-
19.823
172.1457
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-
N-Acetylleucine
ME194970
75619
-
7.169
173.105
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
Dehydroascorbic acid
ME194830
210328
-
0.921
174.0163
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-
Dehydroascorbic acid
ME194829
210328
-
0.708
174.0165
CIS-ACONITATE (CAS# 585-84-2); (M-H)-
cis-Aconitic acid
ME194798
643757
-
1.247
174.0166
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
trans-Aconitic acid
ME195060
444212
-
1.068
174.0166
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M-H...
N-Acetylasparagine
ME194975
99715
-
0.74
174.0627
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+CL)-
1H-Indole-3-acetamide
ME194902
397
-
5.376
174.0792
SUBERIC ACID (CAS# 505-48-6); (M-H)-
Suberic acid
ME195045
10457
-
8.233
174.089
L-ARGININE (CAS# 74-79-3); (M-H)-
Arginine
ME194914
6322
-
0.654
174.1107
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-
N-Acetylaspartic acid
ME194968
65065
-
0.971
175.0481
CITRULLINE (CAS# 372-75-8); (M-H)-
Citrulline
ME194804
9750
-
0.676
175.0945
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME195063
14925
-
1.153
176.0309
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-
1,2,3-Propanetricarboxylic acid
ME195062
14925
-
1.202
176.0323
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...
-
ME194915
16217579
-
0.645
176.1053
S-CARBOXYMETHYL-L-CYSTEINE (CAS# 638-23-3); (M-H)-
S-Carboxymethyl-cysteine
ME195032
193653
-
0.724
179.0248
HIPPURATE (CAS# 495-69-2); (M-H)-
Hippuric acid
ME194895
464
-
4.806
179.0579
N-CYCLOHEXYLSULFAMIC ACID (CAS# 100-88-9); (2M-H)-
Cyclamic acid
ME194979
7533
-
4.57
179.063
D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)-
Galactosamine
ME194818
3034366
-
0.713
179.0783
D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)-
Glucosamine
ME194819
439213
-
0.713
179.0783
CAFFEATE (CAS# 331-39-5); (M-H)-
Caffeic acid
ME194789
1549111
-
5.378
180.0407
ASPIRIN (CAS# 50-78-2); (M-H)-
Aspirin
ME194774
2244
-
8.073
180.0408
3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H...
4-Hydroxyphenylpyruvic acid
ME194723
979
-
3.09
180.0425
SORBITOL (CAS# 50-70-4); (M+CL)-
Sorbitol
ME195039
5780
-
0.674
180.0628
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O]
Glucose
ME194874
5793
-
0.631
180.0629
D-PSICOSE (CAS# 551-68-8); (M+CL)-
Psicose
ME194825
90008
-
0.674
180.0636
D-TAGATOSE (CAS# 87-81-0); (M+CL)-
D-Tagatose
ME194826
90008
-
0.674
180.0636
FRUCTOSE (CAS# 57-48-7); (M+CL)-
Fructose
ME194858
5984
-
0.674
180.0636
GLUCOSE (CAS# 50-99-7); (M+CL)-
Glucose
ME194875
5793
-
0.674
180.0636
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-
Fructose
ME194859
5984
-
0.681
180.0637
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
Allose
ME194765
439507
-
1.627
180.064
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]
Glucose
ME194873
5793
-
0.694
180.0648
TYROSINE (CAS# 60-18-4); (M-H)-
Tyrosine
ME195066
6057
-
1.347
181.0738
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-
1-Methyluric acid
ME194698
69726
-
2.198
182.0448
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (2M-H...
Hydroxyphenyllactic acid
ME194721
9378
-
3.509
182.0573
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...
Hydroxyphenyllactic acid
ME194722
9378
-
3.799
182.058
HOMOVANILLATE (CAS# 306-08-1); (2M-H)-
Homovanillic acid
ME194897
1738
-
5.88
182.0587
MANNITOL (CAS# 69-65-8); (M-H)-
Mannitol
ME194948
6251
-
0.667
182.0779
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+CL)-
Galactitol
ME194862
11850
-
0.674
182.0784
MANNITOL (CAS# 69-65-8); (M+CL)-
Mannitol
ME194947
6251
-
0.674
182.0784
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-
4-Pyridoxic acid
ME194745
6723
-
1.893
183.0529
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-
Choline phosphate
ME194796
1014
-
0.682
183.0653
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (2M-H)-
Dihydroxymandelic acid
ME194846
85782
-
0.965
184.0364
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)-
Dihydroxymandelic acid
ME194847
85782
-
1.204
184.0385
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M-H)-
DL-O-Phosphoserine
ME194988
106
-
1.034
185.0077
O-PHOSPHOSERINE (CAS# 407-41-0); (M-H)-
DL-O-Phosphoserine
ME194989
68841
-
1.034
185.0077
AZELAIC ACID (CAS# 123-99-9); (M-H)-
Azelaic acid
ME194775
2266
-
10.707
188.1049
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M-H)-
N(2)-Acetyllysine
ME194976
92907
-
0.908
188.1149
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-
10-Hydroxydecanoic acid
ME194700
6991989
-
13.566
188.1394
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME194737
3845
-
4.947
189.0426
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)-
N-Acetylglutamic acid
ME194964
185
-
1.328
189.0633
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-
5-Hydroxyindoleacetic acid
ME194751
1826
-
4.062
191.06
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
N-Acetylmethionine
ME194965
448580
-
4.066
191.0616
CITRATE (CAS# 77-92-9); (M-H)-
Citric acid
ME194803
311
-
1.029
192.0272
ISOCITRATE (CAS# 320-77-4); (M-H)-
Isocitric acid
ME194907
5318532
-
0.82
192.0272
QUINATE (CAS# 77-95-2); (M-H)-
Quinic acid
ME195019
6508
-
0.703
192.0619
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-
Galacturonic acid
ME194863
84740
-
0.69
194.0409
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-
Glucuronic acid
ME194878
94715
-
0.69
194.0409
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-
Glucuronic acid
ME194877
94715
-
0.766
194.0423
FERULATE (CAS# 1135-24-6); (M-H)-
trans-Ferulic acid
ME194856
445858
-
7.933
194.0587
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCO...
Methyl beta-D-galactoside
ME194954
94214
-
0.679
194.0772
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...
Methyl beta-D-galactoside
ME194953
94214
-
0.665
194.0782
PINITOL (CAS# 10284-63-6); (M+CL)-
Pinitol
ME195011
164619
-
0.665
194.0782
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-
Salicyluric acid
ME195034
10253
-
6.213
195.0541
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
Gluconic acid
ME194872
10690
-
0.68
196.0568
L-GULONATE (CAS# 6322-07-2); (M-H)-
Gulonic acid
ME194919
152304
-
0.678
196.0576
L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O]
Gulonic acid
ME194917
152304
-
0.682
196.0579
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]
Gulonic acid
ME194918
152304
-
0.732
196.0582
3-METHOXY-4-HYDROXYMANDELATE (CAS# 55-10-7); (M-H)...
Vanillylmandelic acid
ME194728
736172
-
2.171
198.0543
LAURIC ACID (CAS# 143-07-7); (M-H)-
Lauric acid
ME194931
3893
-
21.759
200.1777
SEBACIC ACID (CAS# 111-20-6); (M-H)-
Sebacic acid
ME195035
5192
-
12.93
202.1208
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M-H)-
Indolepyruvate
ME194903
803
-
10.52
203.0569
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...
N6-Isopentenyladenine
ME194983
92180
-
7.92
203.116
TRYPTOPHAN (CAS# 73-22-3); (M-H)-
Tryptophan
ME195065
6305
-
3.625
204.089
XANTHURENIC ACID (CAS# 59-00-7); (M-H)-
Xanthurenic acid
ME195084
5699
-
4.561
205.0376
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
Tryptophan
ME194926
16217285
-
3.627
206.0847
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-
N-Acetylphenylalanine
ME194971
74839
-
7.723
207.088
LANTHIONINE (CAS# 3183-08-2); (M-H)-
Lanthionine
ME194930
102950
-
0.709
208.0535
KYNURENINE (CAS# 343-65-7); (M-H)-
Kynurenine
ME194912
161166
-
2.144
208.084
GALACTARATE (CAS# 526-99-8); (M-H)-
Galactaric acid
ME194861
3037582
-
0.763
210.0358
GLUCARIC ACID (CAS# 87-73-0); (M-H)-
Glucaric acid
ME194871
33037
-
0.751
210.036
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
Glucaric acid
ME194870
33037
-
0.837
210.0389
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-
Jasmonic acid
ME194910
5281166
-
13.128
210.1251
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-
Jasmonic acid
ME194911
5281166
-
13.127
210.1259
DETHIOBIOTIN (CAS# 533-48-2); (2M-H)-
Dethiobiotin
ME194842
445027
-
8.068
214.1303
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)-
Tridecylic acid
ME195064
12530
-
22.158
214.1934
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H...
12-Hydroxy lauric acid
ME194992
79034
-
17.019
216.1726
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)-
o-Succinylhomoserine
ME194990
439406
-
0.976
219.0762
PANTOTHENATE (CAS# 79-83-4); (M+CL)-
Pantothenic acid
ME195002
6613
-
3.264
219.1092
PANTOTHENATE (CAS# 79-83-4); (M-H)-
Pantothenic acid
ME195003
6613
-
3.27
219.1107
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-
trans-Zeatin
ME195086
449093
-
3.905
219.1121
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
cis-Zeatin
ME194800
688597
-
3.905
219.1122
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
cis-Zeatin
ME194801
688597
-
3.904
219.1125
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-
trans-Zeatin
ME195087
449093
-
3.904
219.1125
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-
5-Hydroxy-tryptophan
ME194753
439280
-
1.708
220.0831
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (2M-H)-
5-Hydroxy-tryptophan
ME194752
439280
-
1.625
220.0839
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+HCOO)-
N-Acetylglucosamine
ME194961
446101
-
0.721
221.0879
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-
N-Acetylglucosamine
ME194960
446101
-
0.691
221.0906
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-
N-Acetyl-mannosamine
ME194962
53477792
-
0.691
221.0906
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-
N-Acetylgalactosamine
ME194972
35717
-
0.691
221.0906
CYSTATHIONINE (CAS# 56-88-2); (M-H)-
Cystathionine
ME194812
439258
-
0.725
222.0695
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M-H)-
Hydroxykynurenine
ME194726
11811
-
1.076
224.0795
CARNOSINE (CAS# 305-84-0); (M-H)-
Carnosine
ME194790
439224
-
0.668
226.1051
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-
Myristoleic acid
ME194959
5281119
-
22.008
226.1928
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-
Deoxycytidine
ME194837
13711
-
0.972
227.0913
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-
Deoxycytidine
ME194838
13711
-
0.931
227.0921
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-
Deoxyuridine
ME194840
13712
-
1.664
228.0736
DEOXYURIDINE (CAS# 951-78-0); (M-H)-
Deoxyuridine
ME194841
13712
-
1.671
228.074
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-
Deoxyuridine
ME194839
13712
-
1.645
228.076
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
Myristic acid
ME194958
11005
-
22.456
228.209
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)-
Ribose 5-phosphate
ME195029
439167
-
0.741
230.0186
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-
Paracetamol sulfate
ME194735
83939
-
2.412
231.0201
CYSTINE (CAS# 56-89-3); (M-H)-
Cystine
ME194813
6857538
-
0.674
240.024
LUMICHROME (CAS# 1086-80-2); (M-H)-
Lumichrome
ME194938
5326566
-
10.897
242.0816
THYMIDINE (CAS# 50-89-5); (M-H)-
Thymidine
ME195055
5789
-
2.756
242.09
THYMIDINE (CAS# 50-89-5); (M+HCOO)-
Thymidine
ME195054
5789
-
2.747
242.0903
THYMIDINE (CAS# 50-89-5); (M+CL)-
Thymidine
ME195053
5789
-
2.735
242.0906
CYTIDINE (CAS# 65-46-3); (M-H)-
Cytidine
ME194815
6175
-
0.682
243.0841
CYTIDINE (CAS# 65-46-3); (M+CL)-
Cytidine
ME194814
6175
-
0.706
243.0874
L-FUCOSE 1-PHOSPHATE (CAS# 16562-58-6); (M-H)-
Fucose 1-phosphate
ME194916
439871
-
0.672
244.0331
URIDINE (CAS# 58-96-8); (M+HCOO)-
Uridine
ME195074
6029
-
1.354
244.0689
URIDINE (CAS# 58-96-8); (M-H)-
Uridine
ME195075
6029
-
1.362
244.0696
URIDINE (CAS# 58-96-8); (M+CL)-
Uridine
ME195073
6029
-
1.333
244.07
BIOTIN (CAS# 58-85-5); (M-H)-
Biotin
ME194783
11966127
-
6.246
244.0864
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-
N-Acetyl-D-tryptophan
ME194963
439917
-
7.942
246.1
BOC-LYS-OH (CAS# 13734-28-6); (M-H)-
-
ME194786
2733284
-
4.944
246.1595
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)...
gamma-Glutamylcysteine
ME194865
123938
-
1.067
250.0623
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-
5'-Deoxyadenosine
ME194746
439182
-
2.623
251.1013
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)-
Deoxyadenosine
ME194831
13730
-
1.868
251.1025
DEOXYADENOSINE (CAS# 16373-93-6); (M-H)-
Deoxyadenosine
ME194833
13730
-
1.632
251.1031
DEOXYADENOSINE (CAS# 16373-93-6); (M+HCOO)-
Deoxyadenosine
ME194832
13730
-
1.898
251.1036
2'-DEOXYINOSINE (CAS# 890-38-0); (M+CL)-
Deoxyinosine
ME194710
65058
-
2.034
252.0858
2'-DEOXYINOSINE (CAS# 890-38-0); (M-H)-
Deoxyinosine
ME194711
65058
-
2.067
252.0872
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
Palmitoleic acid
ME195001
445638
-
22.584
254.2248
PALMITATE (CAS# 57-10-3); (M-H)-
Palmitic acid
ME195000
985
-
22.853
256.2405
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME195038
439285
-
0.927
257.1026
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME195037
439285
-
0.681
257.1048
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...
Galactose 1-phosphate
ME194766
123912
-
0.749
260.0279
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-
Glucose 6-phosphate
ME194820
5958
-
0.738
260.0279
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-
Glucose 1-phosphate
ME194876
65533
-
0.749
260.0279
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-
Mannose 6-phosphate
ME194949
439198
-
0.749
260.0279
BOC-PHE-OH (CAS# 13734-34-4); (M-H)-
-
ME194787
77857
-
15.489
265.132
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)-
Deoxyguanosine
ME194709
187790
-
2.025
267.0942
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)-
Deoxyguanosine
ME194708
187790
-
1.834
267.0953
ADENOSINE (CAS# 58-61-7); (M+CL)-
Adenosine
ME194759
60961
-
1.834
267.0954
ADENOSINE (CAS# 58-61-7); (M+HCOO)-
Adenosine
ME194760
60961
-
1.69
267.0988
INOSINE (CAS# 58-63-9); (M+CL)-
Inosine
ME194904
6021
-
1.789
268.0815
INOSINE (CAS# 58-63-9); (M-H)-
Inosine
ME194905
6021
-
1.815
268.082
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
Margaric acid
ME194893
10465
-
22.97
270.2555
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
alpha-Linolenic acid
ME194768
5280934
-
22.86
278.2225
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
gamma-Linolenic acid
ME194866
5280933
-
22.86
278.2225
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+CL)-
Glucosamine
ME194977
13998612
-
3.486
279.1313
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+HCOO)-
Glucosamine
ME194978
13998612
-
4.111
279.1336
LINOLEATE (CAS# 60-33-3); (M-H)-
Linoleic acid
ME194935
5280450
-
22.729
280.2408
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-
1-Methyladenosine
ME194697
27476
-
3.254
281.112
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
cis-Vaccenic acid
ME194799
5282761
-
22.934
282.2565
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
Elaidic acid
ME194851
637517
-
22.934
282.2565
OLEIC ACID (CAS# 112-80-1); (M-H)-
Oleic acid
ME194991
445639
-
22.934
282.2565
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
trans-Vaccenic acid
ME195061
5281127
-
22.934
282.2565
GUANOSINE (CAS# 118-00-3); (M-H)-
Guanosine
ME194891
6802
-
1.822
283.0912
GUANOSINE (CAS# 118-00-3); (M+CL)-
Guanosine
ME194890
6802
-
1.824
283.0944
XANTHOSINE (CAS# 146-80-5); (M-H)-
Xanthosine
ME195082
64959
-
2.292
284.0751
STEARATE (CAS# 57-11-4); (M-H)-
Stearic acid
ME195044
5281
-
23.19
284.2719
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-
Ophthalmic acid
ME194994
7018721
-
1.076
289.1267
EDTA (CAS# 60-00-4); (M-H)-
Edetic acid
ME194850
6049
-
0.99
292.0911
INDICAN (CAS# 487-60-5); (2M+CL)-[-H2O]
Indican
ME194900
441564
-
0.826
295.1051
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
5'-Methylthioadenosine
ME194747
439176
-
4.488
297.0891
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-
5'-Methylthioadenosine
ME194748
439176
-
4.499
297.0909
RETINOATE (CAS# 302-79-4); (M-H)-
Retinoic acid
ME195023
444795
-
22.284
300.2119
SPHINGANINE (CAS# 764-22-7); (M+HCOO)-[-H2O]
Sphinganine
ME195040
644260
-
22.452
301.3008
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)...
MG 14:0
ME195020
79050
-
22.389
302.2436
ARACHIDONATE (CAS# 506-32-1); (M-H)-
Arachidonic acid
ME194771
444899
-
22.713
304.2406
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...
dCMP
ME194707
13945
-
0.57
307.0578
DUMP (CAS# 964-26-1); (M-H)-
dUMP
ME194849
65063
-
1.024
308.0386
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
N-Acetylneuraminic acid
ME194974
439197
-
0.628
309.1045
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-
cis-Gondoic acid
ME194797
5282768
-
23.262
310.2871
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-
Arachidic acid
ME194770
10467
-
23.409
312.3013
PHYTANATE (CAS# 14721-66-5); (M-H)-
Phytanic acid
ME195009
10380830
-
23.385
312.3013
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...
3beta-Hydroxy-5alpha-pregnan-20-one
ME194732
92787
-
20.803
318.2581
THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M-H)-
TMP
ME195056
12803287
-
1.552
322.0573
3'-CMP (CAS# 63-37-6); (M-H)-
3'-CMP
ME194720
66535
-
0.797
323.0537
CMP (CAS# 63-37-6); (M-H)-
CMP
ME194805
6131
-
0.797
323.0537
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-
UMP
ME195076
6030
-
0.929
324.0368
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)-
N-Acetylcysteine
ME194969
12035
-
3.626
324.0452
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...
p-Acetamidophenylglucuronide
ME194997
83944
-
2.257
327.0958
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-
Docosahexaenoic acid
ME194848
445580
-
22.706
328.2409
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+CL)...
17alpha-Hydroxyprogesterone
ME194705
6238
-
17.845
330.2228
DAMP (CAS# 653-63-4); (M-H)-
dAMP
ME194827
12599
-
1.215
331.0714
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-
LTB4
ME194933
5280492
-
20.859
336.229
ERUCIC ACID (CAS# 112-86-7); (M-H)-
cis-Erucic acid
ME194854
5281116
-
23.664
338.3193
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)-
N-Oleoyl glycine
ME194982
6436908
-
22.545
339.2771
BEHENIC ACID (CAS# 112-85-6); (M-H)-
Behenic acid
ME194776
8215
-
24.095
340.3341
BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O]
Maltose
ME194780
439186
-
0.994
342.1154
MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME194945
439186
-
0.625
342.1158
SUCROSE (CAS# 57-50-1); (M+HCOO)-
Sucrose
ME195048
5988
-
0.635
342.1158
LACTOSE (CAS# 63-42-3); (M-H)-
Lactose
ME194929
440995
-
0.666
342.1162
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]
Maltose
ME194779
439186
-
0.714
342.1163
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME194781
439186
-
0.693
342.1172
CELLOBIOSE (CAS# 528-50-7); (M+CL)-
Cellobiose
ME194792
294
-
0.693
342.1172
LACTOSE (CAS# 63-42-3); (M+CL)-
Lactose
ME194928
440995
-
0.693
342.1172
MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME194944
439186
-
0.693
342.1172
SUCROSE (CAS# 57-50-1); (M+CL)-
Sucrose
ME195047
5988
-
0.693
342.1172
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME194782
439186
-
0.63
342.1173
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-
Melibiose
ME194951
440658
-
0.625
342.1173
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-
Palatinose
ME194999
439559
-
0.625
342.1173
MELIBIOSE (CAS# 585-99-9); (M+CL)-
Melibiose
ME194950
440658
-
0.693
342.1176
PALATINOSE (CAS# 343336-76-5); (M+CL)-
Palatinose
ME194998
439559
-
0.693
342.1176
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-
Gibberellin A3
ME194867
6466
-
8.482
346.1415
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-
Gibberellin A3
ME194869
6466
-
8.482
346.1419
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
Gibberellin A3
ME194868
6466
-
8.484
346.1425
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-
11-Deoxycortisol
ME194702
440707
-
15.388
346.2115
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-
Corticosterone
ME194807
5753
-
15.388
346.2115
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-
Corticosterone
ME194806
5753
-
15.709
346.2169
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-
11-Deoxycortisol
ME194701
440707
-
15.529
346.2175
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-
AMP
ME194761
6083
-
1.012
347.0652
DGMP (CAS# 902-04-5); (M-H)-
dGMP
ME194844
6994968
-
1.08
347.0652
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M-H)-
IMP
ME194906
8582
-
1
348.049
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-
PGE2
ME195015
5280360
-
16.755
352.224
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)-
PGE2
ME195014
5280360
-
16.934
352.226
BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH (CAS# 351002-65...
-
ME194785
4343849
-
20.176
355.1785
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-
MG 18:1
ME194699
5283468
-
22.653
356.2893
CORTISONE (CAS# 53-06-5); (M+HCOO)-
Cortisone
ME194809
222786
-
13.364
360.1941
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M-H)-
5-Hydroxyomeprazole
ME194750
119560
-
12.363
361.1102
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M-H)-
Omeprazole sulfone
ME194993
145900
-
12.363
361.1102
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...
Thyrotropin releasing hormone
ME195058
638678
-
1.653
362.1721
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...
Thyrotropin releasing hormone
ME195059
638678
-
1.613
362.1732
CORTISOL (CAS# 50-23-7); (M+HCOO)-
Cortisol
ME194808
5754
-
13.741
362.2101
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)-
GMP
ME194892
6804
-
0.994
363.0581
XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M-H)-
XMP
ME195083
73323
-
1.33
364.0438
NERVONIC ACID (CAS# 506-37-6); (M-H)-
Nervonic acid
ME194985
5281120
-
24.157
366.3507
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...
Dehydroepiandrosterone sulfate
ME194733
12594
-
15.454
368.1679
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-
Lignoceric acid
ME194934
11197
-
24.753
368.3671
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]
TXB2
ME195052
5283137
-
16.755
370.2345
RIBOFLAVIN (CAS# 83-88-5); (M-H)-
Riboflavin
ME195027
493570
-
7.595
376.1388
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-
Riboflavin
ME195026
493570
-
7.594
376.1394
RIBOFLAVIN (CAS# 83-88-5); (M+CL)-
Riboflavin
ME195025
493570
-
7.594
376.14
LITHOCHOLIC ACID (CAS# 434-13-9); (M-H)-
Lithocholic acid
ME194937
9903
-
22.256
376.2947
LITHOCHOLIC ACID (CAS# 434-13-9); (M+HCOO)-
Lithocholic acid
ME194936
9903
-
22.286
376.2981
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-
S-Adenosylhomocysteine
ME195031
439155
-
1.518
384.1219
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)-
S-Adenosylhomocysteine
ME195030
439155
-
1.659
384.1234
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)-
Deoxycholic acid
ME194834
222528
-
21.683
392.2931
URSODIOL (CAS# 128-13-2); (M-H)-
Ursodeoxycholic acid
ME195079
31401
-
21.647
392.2931
URSODIOL (CAS# 128-13-2); (M+HCOO)-
Ursodeoxycholic acid
ME195078
31401
-
21.585
392.2932
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)-
Deoxycholic acid
ME194835
222528
-
21.697
392.2933
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-
Deoxycholic acid
ME194836
222528
-
21.696
392.2936
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
Hyodeoxycholic acid
ME194898
5283820
-
22.872
392.2954
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-
Cerotic acid
ME194894
10469
-
25.694
396.3969
CHOLATE (CAS# 81-25-4); (M+CL)-
Cholic acid
ME194794
221493
-
20.322
408.2881
CHOLATE (CAS# 81-25-4); (M-H)-
Cholic acid
ME194795
221493
-
20.322
408.2884
CHOLATE (CAS# 81-25-4); (2M-H)-
Cholic acid
ME194793
221493
-
20.322
408.289
DGDP (CAS# 653-63-4); (M-H)-
dGDP
ME194843
439220
-
1.215
427.0327
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H)-
Glycolithocholic acid
ME194888
115245
-
21.594
433.3196
FOLIC ACID (CAS# 59-30-3); (M-H)-
Folic acid
ME194857
6037
-
5.871
441.1434
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-
5-Methyl-THF
ME194754
9825434
-
3.565
459.1909
GLYCOCHOLATE (CAS# 475-31-0); (2M-H)-
Glycocholic acid
ME194886
10140
-
18.963
465.3055
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-
Glycocholic acid
ME194887
10140
-
18.865
465.3099
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-
24-epi-Brassinolide
ME194852
115196
-
19.798
480.3456
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...
24-epi-Brassinolide
ME194853
115196
-
19.797
480.3463
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
LPE 18:0
ME194706
9547068
-
22.654
481.3165
TAUROLITHOCHOLATE (CAS# 516-90-5); (M-H)-
Taurolithocholic acid
ME195050
439763
-
21.698
483.302
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M-H...
CDP-choline
ME194816
13804
-
0.773
488.1121
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-
LPC 16:0
ME194703
460602
-
22.274
495.3323
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
LPC 16:0
ME194704
460602
-
22.305
495.333
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)...
Bis-gamma-glutamylcystine
ME194784
90657696
-
0.869
498.1132
RAFFINOSE (CAS# 512-69-6); (M+HCOO)-
Raffinose
ME195022
439242
-
0.891
504.1688
RAFFINOSE (CAS# 512-69-6); (M+CL)-
Raffinose
ME195021
439242
-
0.727
504.1696
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-
LPC 20:0
ME194719
24779473
-
22.867
551.3991
ADP-RIBOSE (CAS# ); (M-H)-
ADP-ribose
ME194763
33576
-
0.866
559.0692
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)-
UDP-galactose
ME195067
44134987
-
1.628
566.0549
UDP-GLUCOSE (CAS# 133-89-1); (M-H)-
UDP-glucose
ME195068
53477679
-
1.628
566.0549
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)-
UDP-N-acetylglucosamine
ME195069
445675
-
1.615
607.0795
GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Glutathione
ME194882
124886
-
1.353
612.1521
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Oxidized glutathione
ME194996
65359
-
1.353
612.1521
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME194788
46891735
-
23.197
643.5009
NAD (CAS# 53-84-9); (M-H)-
NAD
ME194984
5893
-
0.748
663.105
STACHYOSE (CAS# 54261-98-2); (M+HCOO)-
Stachyose
ME195042
439531
-
0.973
666.22
STACHYOSE (CAS# 54261-98-2); (M-H)-
Stachyose
ME195043
439531
-
0.984
666.2208
STACHYOSE (CAS# 54261-98-2); (M+CL)-
Stachyose
ME195041
439531
-
0.715
666.222
PROPENOATE (CAS# 79-10-7); (M-H)-
Acrylic acid
ME195013
6581
-
1.154
72.0218
GLYCINE (CAS# 56-40-6); (M-H)-
Glycine
ME194885
750
-
0.707
75.0322
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-
gamma-Butyrolactone
ME194864
7302
-
2.042
86.0362
DIACETYL (CAS# 431-03-8); (M+HCOO)-
Diacetyl
ME194845
650
-
2.043
86.0363
PYRUVATE (CAS# 127-17-3); (M-H)-
Pyruvic acid
ME195018
1060
-
0.739
88.0169
BETA-ALANINE (CAS# 107-95-9); (M-H)-
beta-Alanine
ME194778
239
-
0.692
89.0477
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
Glyceraldehyde
ME194883
79014
-
1.63
90.0312
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
ME195093
5460234
-
0.984
101.0476
BIURET (CAS# 108-19-0); (M+NA)+
Biuret
ME195218
7913
-
0.717
103.0382
BIURET (CAS# 108-19-0); (M+H)+
Biuret
ME195217
7913
-
1.008
103.0389
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME195131
64956
-
1.816
103.0635
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+
2-Hydroxybutyric acid
ME195119
11266
-
1.645
104.0478
CHOLINE (CAS# 62-49-7); M+
Choline
ME195233
305
-
0.665
104.1081
SERINE (CAS# 56-45-1); (M+H)+
Serine
ME195528
617
-
1.011
105.0427
DIETHANOLAMINE (CAS# 111-42-2); (M+NA)+
Diethanolamine
ME195289
8113
-
0.904
105.0797
CYTOSINE (CAS# 71-30-7); (M+NA)+
Cytosine
ME195257
597
-
0.804
111.0426
CYTOSINE (CAS# 71-30-7); (M+H)+
Cytosine
ME195256
597
-
0.76
111.0432
HISTAMINE (CAS# 51-45-6); (M+H)+
Histamine
ME195346
774
-
0.7
111.0792
URACIL (CAS# 66-22-8); (M+H)+
Uracil
ME195574
1174
-
0.958
112.0266
CREATININE (CAS# 60-27-5); (M+NA)+
Creatinine
ME195246
588
-
0.684
113.0598
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+H)+
-
ME195249
71309782
-
0.677
114.0621
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+NA)...
-
ME195248
71309782
-
0.678
114.0627
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+NA)+
-
ME195250
71309782
-
0.697
114.0628
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+
-
ME195247
71309782
-
0.683
114.063
MALEAMATE (CAS# 557-24-4); (M+H)+
Maleamate
ME195401
5280451
-
0.82
115.0266
PROLINE (CAS# 147-85-3); (M+H)+
Proline
ME195499
145742
-
0.703
115.0635
PROLINE (CAS# 147-85-3); (M+NA)+
Proline
ME195500
145742
-
0.705
115.0638
VALINE (CAS# 72-18-4); (M+NA)+
Valine
ME195585
6287
-
0.837
117.0781
BETAINE (CAS# 107-43-7); (M+NA)+
Betaine
ME195208
247
-
0.647
117.0787
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+
5-Aminopentanoic acid
ME195162
138
-
0.76
117.0788
BETAINE (CAS# 107-43-7); (M+H)+
Betaine
ME195207
247
-
0.765
117.0788
NORVALINE (CAS# 6600-40-4); (M+H)+
Norvaline
ME195468
65098
-
0.887
117.0788
VALINE (CAS# 72-18-4); (M+H)+
Valine
ME195584
6287
-
0.882
117.0788
NORVALINE (CAS# 6600-40-4); M+[-CO2H]
Norvaline
ME195469
65098
-
0.878
117.0798
METHYLMALONATE (CAS# 516-05-2); (M+NA)+
Methylmalonic acid
ME195414
487
-
1.305
118.0266
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]
Threonine
ME195556
6288
-
0.944
119.0572
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]
Allothreonine
ME195370
99289
-
0.711
119.0575
HOMOSERINE (CAS# 672-15-1); (M+H)+
Homoserine
ME195348
12647
-
0.668
119.0587
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+
Allothreonine
ME195369
99289
-
0.668
119.0587
HOMOSERINE (CAS# 672-15-1); (M+NA)+
Homoserine
ME195349
12647
-
0.652
119.059
PURINE (CAS# 120-73-0); (M+NA)+
Purine
ME195505
1044
-
1.102
120.0424
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O...
3-Hydroxybenzaldehyde
ME195137
101
-
4.809
122.0371
NICOTINAMIDE (CAS# 98-92-0); (M+H)+
Niacinamide
ME195459
936
-
1.07
122.048
ERYTHRITOL (CAS# 149-32-6); (M+NA)+
Erythritol
ME195299
222285
-
0.866
122.0581
NICOTINATE (CAS# 59-67-6); (M+H)+
Nicotinic acid
ME195461
938
-
0.969
123.0328
PICOLINIC ACID (CAS# 98-98-6); (M+H)+
Picolinic acid
ME195492
1018
-
0.947
123.0328
TAURINE (CAS# 107-35-7); (M+K)+
Taurine
ME195543
1123
-
0.517
125.0135
TAURINE (CAS# 107-35-7); (M+NA)+
Taurine
ME195544
1123
-
0.652
125.0145
TAURINE (CAS# 107-35-7); (M+H)+
Taurine
ME195542
1123
-
0.703
125.015
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+NA)...
Ciliatine
ME195089
339
-
0.678
125.0234
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+H)+
Ciliatine
ME195088
339
-
0.914
125.0243
5-METHYLCYTOSINE (CAS# 554-01-8); (M+H)+
5-Methylcytosine
ME195167
65040
-
0.766
125.0586
5-METHYLCYTOSINE (CAS# 554-01-8); (2M+H)+
5-Methylcytosine
ME195166
65040
-
1.039
125.0595
IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+
Imidazoleacetic acid
ME195356
96215
-
0.725
126.0427
THYMINE (CAS# 65-71-4); (M+H)+
Thymine
ME195562
1135
-
1.72
126.0433
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+
N-Cyclohexylformamide
ME195446
13017
-
7.936
127.0993
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+
Pyroglutamic acid
ME195168
7405
-
1.18
129.0431
5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+
Pyroglutamic acid
ME195169
7405
-
1.195
129.0436
PIPECOLATE (CAS# 535-75-1); (M+NA)+
Pipecolic acid
ME195495
849
-
0.636
129.078
PIPECOLATE (CAS# 535-75-1); (M+H)+
Pipecolic acid
ME195494
849
-
0.8
129.0792
AGMATINE (CAS# 2482-00-0); (M+H)+
Agmatine
ME195184
199
-
0.544
130.1218
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+
N-Acetylalanine
ME195431
88064
-
1.458
131.0586
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+
N-Acetylalanine
ME195429
88064
-
1.437
131.0587
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O]
N-Acetylalanine
ME195430
88064
-
1.287
131.059
CREATINE (CAS# 57-00-1); (M+H)+
Creatine
ME195245
586
-
0.703
131.0697
LEUCINE (CAS# 328-39-2); (M+H)+
Leucine
ME195390
6106
-
1.622
131.0952
NORLEUCINE (CAS# 327-57-1); (M+H)+
Norleucine
ME195465
21236
-
1.622
131.0952
ISOLEUCINE (CAS# 73-32-5); (M+H)+
Isoleucine
ME195364
6306
-
1.596
131.0953
ISOLEUCINE (CAS# 73-32-5); (M+NA)+
Isoleucine
ME195365
6306
-
1.558
131.0953
LEUCINE (CAS# 328-39-2); (M+NA)+
Leucine
ME195391
6106
-
1.62
131.0955
BIS(3-AMINOPROPYL)AMINE OR CALINE (CAS# 56-18-8); ...
Norspermidine
ME195216
5942
-
0.72
131.1433
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+
Ethylmalonic acid
ME195305
11756
-
2.982
132.0429
ASPARAGINE (CAS# 70-47-3); (M+NA)+
Asparagine
ME195198
6267
-
0.638
132.0534
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+
Ureidopropionic acid
ME195144
111
-
0.898
132.0545
ASPARAGINE (CAS# 70-47-3); (M+H)+
Asparagine
ME195197
6267
-
0.798
132.0545
D-ORNITHINE (CAS# 348-66-3); (M+H)+
D-Ornithine
ME195267
6262
-
0.55
132.0898
L-ORNITHINE (CAS# 70-26-8); (M+H)+
Ornithine
ME195382
6262
-
0.55
132.0898
ASPARTATE (CAS# 56-84-8); (M+NA)+
Aspartic acid
ME195200
5960
-
0.643
133.0375
ASPARTATE (CAS# 56-84-8); (M+H)+
Aspartic acid
ME195199
5960
-
0.656
133.0382
MALATE (CAS# 636-61-3); (M+NA)+
Malic acid
ME195400
222656
-
0.83
134.0206
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+NA)+
N-Nitrosodiethanolamine
ME195452
14223
-
0.823
134.0695
ADENINE (CAS# 73-24-5); (M+H)+
Adenine
ME195179
190
-
0.911
135.0535
VITAMIN B12 (CAS# 68-19-9); (M+2H)+2
Vitamin B12
ME195586
118701016
-
7.142
1354.5779
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+
Hypoxanthine
ME195353
790
-
1.1
136.0387
HYPOXANTHINE (CAS# 68-94-0); (M+H)+
Hypoxanthine
ME195352
790
-
1.109
136.0389
PHENYL ACETATE (CAS# 122-79-2); (M+H)+
Phenyl acetate
ME195486
999
-
3.916
136.0535
PHENYLACETIC ACID (CAS# 103-82-2); (M+H)+
Phenylacetic acid
ME195487
999
-
3.919
136.0535
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+
Trigonelline
ME195450
5570
-
0.7
137.0466
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+
p-Aminobenzoic acid
ME195150
978
-
2.789
137.0469
1-METHYLNICOTINAMIDE (CAS# ); M+
1-Methyl nicotinamide
ME195095
457
-
0.67
137.0704
TYRAMINE (CAS# 51-67-2); (M+H)+
Tyramine
ME195571
5610
-
1.388
137.0829
PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+
2-Hydroxyphenethylamine
ME195490
1000
-
1.422
137.0836
UROCANATE (CAS# 104-98-3); (M+H)+
Urocanic acid
ME195581
736715
-
1.012
138.0426
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+
2-Aminobenzoic acid
ME195384
227
-
5.358
138.0459
6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M+H)+
6-Hydroxynicotinic acid
ME195173
72924
-
1.768
139.0261
L-HISTIDINOL (CAS# 4836-52-6); (M+H)+
L-Histidinol
ME195380
165271
-
0.534
141.089
5-HYDROXYMETHYLURACIL (CAS# 4433-40-3); (M+H)+
5-Hydroxymethyluracil
ME195164
78168
-
0.657
142.0382
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+
2-Hydroxyquinoline
ME195512
6038
-
7.667
145.053
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+
2-Hydroxyquinoline
ME195513
6038
-
7.686
145.0534
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+H)+
4-Acetamidobutanoic acid
ME195147
18189
-
1.811
145.0725
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+
4-Acetamidobutanoic acid
ME195148
18189
-
1.916
145.074
4-GUANIDINOBUTANOATE (CAS# 463-00-3 ); (M+H)+
4-Guanidinobutanoic acid
ME195153
500
-
0.887
145.0839
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+
3-Dehydroxycarnitine
ME195134
725
-
0.701
145.1095
SPERMIDINE (CAS# 124-20-9); (M+NA)+
Spermidine
ME195532
1102
-
0.573
145.1578
SPERMIDINE (CAS# 124-20-9); (M+H)+
Spermidine
ME195531
1102
-
0.561
145.158
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+
2-Methylglutaric acid
ME195121
12046
-
3.544
146.0584
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+
Methylglutaric acid
ME195140
12284
-
3.544
146.0584
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+
Adipic acid
ME195182
196
-
3.544
146.0584
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+
Monomethyl glutaric acid
ME195416
73917
-
3.544
146.0584
GLUTAMINE (CAS# 56-85-9); (M+NA)+
Glutamine
ME195328
5961
-
0.654
146.0698
LYSINE (CAS# 56-87-1); (M+NA)+
Lysine
ME195399
5962
-
0.566
146.1047
LYSINE (CAS# 56-87-1); (M+H)+
Lysine
ME195398
5962
-
0.549
146.1048
ACETYLCHOLINE (CAS# 51-84-3); M+
Acetylcholine
ME195178
187
-
3.92
146.1171
GLUTAMATE (CAS# 56-86-0); (M+H)+
Glutamic acid
ME195326
33032
-
0.679
147.0531
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]
Glutamic acid
ME195327
33032
-
0.671
147.0531
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+
N-Methyl-D-aspartic acid
ME195447
4376
-
0.684
147.0531
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]
N-Acetylserine
ME195427
65249
-
0.822
147.0532
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+
N-Acetylserine
ME195428
65249
-
0.7
147.0532
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+
N-Methyl-D-aspartic acid
ME195448
4376
-
0.664
147.0532
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+
N-Acetylserine
ME195426
65249
-
0.723
147.0544
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+
Mevalonic acid
ME195415
439230
-
1.818
148.0746
PENICILLAMINE (CAS# 52-67-5); (2M+H)+[-H2]
Penicillamine
ME195485
5852
-
1.143
149.0501
METHIONINE (CAS# 63-68-3); (M+H)+
Methionine
ME195408
6137
-
1.037
149.0515
3-METHYLADENINE (CAS# 5142-23-4); (M+H)+
3-Methyladenine
ME195142
1673
-
0.783
149.0691
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...
2-Hydroxy-4-(methylthio)butanoic acid
ME195117
11427
-
3.437
150.0342
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...
2-Hydroxy-4-(methylthio)butanoic acid
ME195118
11427
-
3.207
150.0348
ARABINOSE (CAS# 147-81-9); (M+NA)+
Arabinose
ME195194
66308
-
0.733
150.0535
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+
Arabinose
ME195258
66308
-
0.733
150.0535
D-LYXOSE (CAS# 1114-34-7); (M+NA)+
Lyxose
ME195264
65550
-
0.719
150.0535
RIBOSE (CAS# 50-69-1); (M+NA)+
Ribose
ME195522
5779
-
0.733
150.0535
GUANINE (CAS# 73-40-5); (2M+NA)+
Guanine
ME195338
764
-
0.92
151.049
GUANINE (CAS# 73-40-5); (M+H)+
Guanine
ME195339
764
-
0.994
151.049
GUANINE (CAS# 73-40-5); (M+NA)+
Guanine
ME195340
764
-
0.915
151.0494
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+H)+
Acetaminophen
ME195176
1983
-
3.078
151.0632
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)...
Acetaminophen
ME195177
1983
-
3.082
151.0634
XANTHINE (CAS# 69-89-6); (M+H)+
Xanthine
ME195587
1188
-
1.28
152.0325
RIBITOL (CAS# 488-81-3); (M+NA)+
Ribitol
ME195519
94154
-
0.631
152.0679
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...
3-Amino-4-hydroxybenzoic acid
ME195130
65083
-
1.287
153.0416
AHBA (CAS# 76045-71-1); (M+H)+
3-Amino-5-hydroxybenzoic acid
ME195185
127115
-
1.447
153.0425
3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+
3-Hydroxyanthranilic acid
ME195136
86
-
2.905
153.0437
1-(4-HYDROXYPHENYL)-2-AMINOETHANOL (CAS# 104-14-3)...
-
ME195092
4581
-
0.728
153.0794
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0...
4-Hydroxy-3-methoxybenzenemethanol
ME195155
62348
-
3.914
154.0641
L-HISTIDINE (CAS# 71-00-1); (M+H)+
Histidine
ME195378
6274
-
0.691
155.0697
L-HISTIDINE (CAS# 71-00-1); (M+NA)+
Histidine
ME195379
6274
-
0.637
155.0701
OROTATE (CAS# 65-86-1); (M+H)+
Orotic acid
ME195476
967
-
0.976
156.0165
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+
Uracil-5-carboxylic acid
ME195575
6971263
-
0.976
156.0165
ALLANTOIN (CAS# 97-59-6); (M+H)+
Allantoin
ME195189
439714
-
0.401
158.0442
ALLANTOIN (CAS# 97-59-6); (M+NA)+
Allantoin
ME195190
439714
-
0.682
158.0448
NONANOATE (CAS# 112-05-0); (M+NA)+
Pelargonic acid
ME195463
8158
-
13.199
158.1301
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+
Indoleacetaldehyde
ME195357
800
-
1.813
159.0697
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+
3-Methyladipic acid
ME195143
12292
-
5.694
160.0723
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+
Pimelic acid
ME195171
385
-
5.694
160.0723
ETHYL 3-UREIDOPROPIONATE (CAS# 198879-21-9); (M+H)...
Ethyl 3-(carbamoylamino)propanoate
ME195304
3613685
-
3.292
160.0845
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2...
N-Methyl-glutamic acid
ME195449
439377
-
1.755
161.0695
L-CARNITINE (CAS# 541-15-1); (M+H)+
Carnitine
ME195374
10917
-
0.678
161.106
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...
3-Hydroxymethylglutaric acid
ME195135
1662
-
1.299
162.0541
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME195497
83228
-
0.744
162.102
NICOTINE (CAS# 54-11-5); (M+H)+
Nicotine
ME195462
157672
-
1.281
162.115
4-COUMARATE (CAS# 501-98-4); (M+H)+
cis-p-Coumaric acid
ME195151
637542
-
6.908
164.0463
4-COUMARATE (CAS# 501-98-4); (M+H)+[-H2O]
cis-p-Coumaric acid
ME195152
637542
-
6.925
164.0479
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+
2-Deoxy-glucose
ME195116
439268
-
0.777
164.0682
PHENYLALANINE (CAS# 63-91-2); (M+H)+
Phenylalanine
ME195488
6140
-
2.523
165.0793
PHENYLALANINE (CAS# 63-91-2); (M+NA)+
Phenylalanine
ME195489
6140
-
2.523
165.0794
PHTHALATE (CAS# 88-99-3); (M+NA)+
Phthalic acid
ME195491
1017
-
4.838
166.0262
PYRIDOXAL (CAS# 66-72-8); (M+H)+
Pyridoxal
ME195507
1050
-
0.999
167.058
PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O]
Pyridoxal
ME195508
1050
-
1.167
167.0594
URATE (CAS# 69-93-2); (M+H)+
Uric acid
ME195576
1175
-
1.031
168.0289
URATE (CAS# 69-93-2); (M+NA)+
Uric acid
ME195577
1175
-
1.105
168.0293
HOMOGENTISATE (CAS# 451-13-8); (M+H)+
Homogentisic acid
ME195347
780
-
2.132
168.0412
PYRIDOXAMINE (CAS# 85-87-0); (M+H)+
Pyridoxamine
ME195509
1052
-
0.571
168.0884
6-HYDROXYDOPAMINE (CAS# 0); (2M+H)+[-H2O]
6-Hydroxydopamine
ME195172
4624
-
1.547
169.0724
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]
Xi-Norepinephrine
ME195464
951
-
0.721
169.0725
PYRIDOXINE (CAS# 65-23-6); (M+H)+
Pyridoxine
ME195510
1054
-
1.105
169.0747
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+H)+[-H2O]
3-Dehydroshikimate
ME195132
439774
-
1.019
172.0356
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+NA)+
3-Dehydroshikimate
ME195133
439774
-
1.01
172.0357
DECANOATE (CAS# 334-48-5); (2M+NA)+
Capric acid
ME195271
2969
-
22.793
172.1451
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+
N-Acetylleucine
ME195435
75619
-
7.132
173.1039
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+
N-Acetylleucine
ME195436
75619
-
7.178
173.1055
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O]
Dehydroascorbic acid
ME195272
210328
-
0.852
174.0161
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O]
Shikimic acid
ME195529
8742
-
0.81
174.0544
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+H...
N-Acetylasparagine
ME195442
99715
-
0.658
174.0628
SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O]
Suberic acid
ME195539
10457
-
8.237
174.0875
SUBERIC ACID (CAS# 505-48-6); (M+NA)+
Suberic acid
ME195540
10457
-
8.237
174.0902
L-ARGININE (CAS# 74-79-3); (M+H)+
Arginine
ME195371
6322
-
0.637
174.11
L-ARGININE (CAS# 74-79-3); (M+NA)+
Arginine
ME195372
6322
-
0.625
174.1101
N-METHYLTRYPTAMINE (CAS# 61-49-4); (M+NA)+
N-Methyltryptamine
ME195451
6088
-
3.749
174.1147
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+
N-Acetylaspartic acid
ME195433
65065
-
0.988
175.0463
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-...
N-Acetylaspartic acid
ME195432
65065
-
0.85
175.0472
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+
Indoleacetic acid
ME195358
802
-
8.377
175.0647
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+
Indoleacetic acid
ME195359
802
-
8.378
175.0647
CITRULLINE (CAS# 372-75-8); (M+NA)+
Citrulline
ME195239
9750
-
0.717
175.0968
DEBRISOQUIN (CAS# 581-88-4); (M+H)+
Debrisoquine
ME195270
2966
-
5.353
175.1108
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]
Vitamin C
ME195196
54670067
-
1.093
176.0311
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O]
1,2,3-Propanetricarboxylic acid
ME195567
14925
-
1.093
176.0311
D-GLUCURONOLACTONE (CAS# 32449-92-6); (M+NA)+
Glucuronolactone
ME195263
439782
-
0.749
176.0323
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...
-
ME195373
16217579
-
0.639
176.1066
HIPPURATE (CAS# 495-69-2); (M+NA)+
Hippuric acid
ME195345
464
-
4.807
179.059
HIPPURATE (CAS# 495-69-2); (M+H)+
Hippuric acid
ME195344
464
-
4.813
179.0595
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O]
Galactosamine
ME195260
3034366
-
0.894
179.0778
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O]
2-Amino-2-deoxy-D-mannose
ME195265
3034366
-
0.894
179.0778
D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+
Galactosamine
ME195261
3034366
-
0.627
179.0798
D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+
Glucosamine
ME195262
439213
-
0.627
179.0798
D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+
2-Amino-2-deoxy-D-mannose
ME195266
3034366
-
0.627
179.0798
D-GALACTOSAMINE (CAS# 7535-00-4); (2M+NA)+
Galactosamine
ME195259
3034366
-
0.712
179.081
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M+NA)...
Methionine sulfoximine
ME195381
89034
-
0.815
180.0567
GLUCOSE (CAS# 50-99-7); (2M+NA)+
Glucose
ME195322
5793
-
0.66
180.0638
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+
Myo-inositol
ME195417
892
-
0.667
180.0638
GLUCOSE (CAS# 50-99-7); (M+NA)+
Glucose
ME195324
5793
-
0.745
180.0639
FRUCTOSE (CAS# 57-48-7); (M+NA)+
Fructose
ME195310
5984
-
0.734
180.064
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]
Allose
ME195191
439507
-
1.299
180.0646
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]
Psicose
ME195268
90008
-
0.713
180.0647
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]
Glucose
ME195323
5793
-
0.713
180.0647
PARAXANTHINE (CAS# 611-59-6); (M+NA)+
Paraxanthine
ME195484
4687
-
4.295
180.0652
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+
Theophylline
ME195553
2153
-
4.284
180.0652
THEOBROMINE (CAS# 83-67-0); (M+NA)+
Theobromine
ME195552
5429
-
3.512
180.0653
THEOBROMINE (CAS# 83-67-0); (M+H)+
Theobromine
ME195551
5429
-
3.373
180.0664
TYROSINE (CAS# 60-18-4); (M+NA)+
Tyrosine
ME195573
6057
-
1.335
181.0735
TYROSINE (CAS# 60-18-4); (M+H)+
Tyrosine
ME195572
6057
-
1.335
181.0742
1-METHYLURIC ACID (CAS# 708-79-2); (M+H)+
1-Methyluric acid
ME195096
69726
-
2.246
182.0439
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)...
Hydroxyphenyllactic acid
ME195128
9378
-
4.001
182.0563
HOMOVANILLATE (CAS# 306-08-1); (M+H)+
Homovanillic acid
ME195350
1738
-
5.693
182.0566
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA...
Hydroxyphenyllactic acid
ME195129
9378
-
3.81
182.0592
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+
Galactitol
ME195311
11850
-
0.655
182.078
MANNITOL (CAS# 69-65-8); (M+H)+
Mannitol
ME195403
6251
-
0.691
182.078
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+
Galactitol
ME195312
11850
-
0.589
182.0782
MANNITOL (CAS# 69-65-8); (M+NA)+
Mannitol
ME195404
6251
-
0.619
182.0802
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O]
4-Pyridoxic acid
ME195158
6723
-
1.819
183.0537
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+
4-Pyridoxic acid
ME195157
6723
-
1.892
183.0546
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+
4-Pyridoxic acid
ME195159
6723
-
1.891
183.0548
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+
Choline phosphate
ME195234
1014
-
0.708
183.0656
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+
Choline phosphate
ME195235
1014
-
0.665
183.0662
NORMETANEPHRINE (CAS# 0); (M+H)+
Normetanephrine
ME195466
688100
-
2.47
183.0879
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]
Normetanephrine
ME195467
688100
-
2.523
183.0897
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4);...
Vanylglycol
ME195156
688030
-
2.421
184.0728
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O]
Azelaic acid
ME195201
2266
-
10.711
188.1036
AZELAIC ACID (CAS# 123-99-9); (M+NA)+
Azelaic acid
ME195202
2266
-
10.709
188.1059
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+
N(2)-Acetyllysine
ME195443
92907
-
0.801
188.116
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+
10-Hydroxydecanoic acid
ME195100
6991989
-
13.536
188.1396
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME195154
3845
-
4.956
189.0431
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...
N-Acetylglutamic acid
ME195422
185
-
1.31
189.0647
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+
N-Acetylglutamic acid
ME195421
185
-
1.321
189.0651
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+H)+
Indole-3-methyl acetate
ME195410
74706
-
11.65
189.0787
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+
Indole-3-methyl acetate
ME195411
74706
-
11.648
189.08
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+
5-Hydroxyindoleacetic acid
ME195163
1826
-
4.275
191.059
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H...
N-Acetylmethionine
ME195424
448580
-
4.071
191.0606
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+
N-Acetylmethionine
ME195423
448580
-
4.075
191.0622
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+
N-Acetylmethionine
ME195425
448580
-
4.071
191.0622
CITRATE (CAS# 77-92-9); (M+NA)+
Citric acid
ME195238
311
-
1.038
192.0281
QUINATE (CAS# 77-95-2); (M+NA)+
Quinic acid
ME195511
6508
-
0.759
192.0624
TRANS-3'-HYDROXYCOTININE (CAS# 34834-67-8); (M+NA)...
trans-3-Hydroxycotinine
ME195566
107963
-
0.698
192.0882
GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+
Glucuronic acid
ME195325
94715
-
0.749
194.0429
GALACTURONIC ACID (CAS# 91510-62-2); (M+NA)+[-H2O]
Galacturonic acid
ME195313
84740
-
0.786
194.043
FERULATE (CAS# 1135-24-6); (M+H)+[-H2O]
trans-Ferulic acid
ME195307
445858
-
7.942
194.0577
FERULATE (CAS# 1135-24-6); (M+H)+
trans-Ferulic acid
ME195306
445858
-
7.975
194.0598
FERULATE (CAS# 1135-24-6); (M+NA)+
trans-Ferulic acid
ME195308
445858
-
8.224
194.0598
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...
Methyl beta-D-galactoside
ME195409
94214
-
0.782
194.0807
PINITOL (CAS# 10284-63-6); (M+NA)+
Pinitol
ME195493
164619
-
0.782
194.0807
SALICYLURIC ACID (CAS# 487-54-7); (M+NA)+
Salicyluric acid
ME195525
10253
-
6.333
195.0529
L-GULONATE (CAS# 6322-07-2); (M+H)+[-H2O]
Gulonic acid
ME195375
152304
-
0.721
196.0576
GLUCONIC ACID (CAS# 526-95-4); (M+NA)+
Gluconic acid
ME195320
10690
-
0.668
196.0577
L-GULONATE (CAS# 6322-07-2); (M+NA)+
Gulonic acid
ME195376
152304
-
0.668
196.0577
L-GULONATE (CAS# 6322-07-2); (M+NA)+[-H2O]
Gulonic acid
ME195377
152304
-
0.774
196.0586
3-METHOXY-4-HYDROXYMANDELATE (CAS# 55-10-7); (M+NA...
Vanillylmandelic acid
ME195139
736172
-
1.69
198.0536
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME195091
440473
-
0.675
198.0641
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME195090
440473
-
0.72
198.0653
GUAIFENESIN (CAS# 93-14-1); (M+H)+
Guaifenesin
ME195337
3516
-
7.566
198.0875
LAURIC ACID (CAS# 143-07-7); (M+NA)+
Lauric acid
ME195387
3893
-
18.236
200.1757
DIETHYL 2-METHYL-3-OXOSUCCINATE (CAS# 759-65-9); (...
4-Heptenal diethyl acetal
ME195290
97750
-
10.278
202.085
SPERMINE (CAS# 71-44-3); (M+H)+
Spermine
ME195533
1103
-
0.778
202.2165
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M+NA)+
Indolepyruvate
ME195360
803
-
10.5
203.0582
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...
N6-Isopentenyladenine
ME195455
92180
-
7.881
203.1154
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+
CAR 2:0
ME195470
18230
-
0.939
203.116
TRYPTOPHAN (CAS# 73-22-3); (M+H)+
Tryptophan
ME195569
6305
-
3.62
204.0894
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+
Tryptophan
ME195570
6305
-
3.62
204.0894
XANTHURENIC ACID (CAS# 59-00-7); (M+NA)+
Xanthurenic acid
ME195591
5699
-
4.592
205.0376
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+
Xanthurenic acid
ME195590
5699
-
4.61
205.0384
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+
Tryptophan
ME195383
16217285
-
3.621
206.0858
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+
N-Acetylphenylalanine
ME195437
74839
-
7.707
207.0911
KYNURENINE (CAS# 343-65-7); (M+H)+
Kynurenine
ME195368
161166
-
2.212
208.0833
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+
Jasmonic acid
ME195366
5281166
-
13.13
210.1256
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+
Jasmonic acid
ME195367
5281166
-
13.131
210.126
DETHIOBIOTIN (CAS# 533-48-2); (M+H)+
Dethiobiotin
ME195286
445027
-
8.339
214.1302
DETHIOBIOTIN (CAS# 533-48-2); (2M+NA)+
Dethiobiotin
ME195285
445027
-
8.244
214.1303
DETHIOBIOTIN (CAS# 533-48-2); (2M+H)+
Dethiobiotin
ME195284
445027
-
8.031
214.1308
BOC-PRO-OH (CAS# 15761-39-4); (2M+NA)+
-
ME195221
85083
-
11.505
215.1171
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M+H...
12-Hydroxy lauric acid
ME195474
79034
-
16.747
216.1744
ABRINE (CAS# 526-31-8); (M+NA)+
N(alpha)-Methyl-tryptophan
ME195175
160511
-
3.72
218.1058
N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+H)+
N-Acetylserotonin
ME195441
903
-
5.008
218.1072
ABRINE (CAS# 526-31-8); (M+H)+
N(alpha)-Methyl-tryptophan
ME195174
160511
-
3.56
218.1075
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+
o-Succinylhomoserine
ME195471
439406
-
0.661
219.0727
PANTOTHENATE (CAS# 79-83-4); (M+H)+
Pantothenic acid
ME195482
6613
-
3.273
219.1106
PANTOTHENATE (CAS# 79-83-4); (M+NA)+
Pantothenic acid
ME195483
6613
-
3.274
219.112
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+
cis-Zeatin
ME195237
688597
-
3.899
219.1126
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+
trans-Zeatin
ME195592
449093
-
3.899
219.1126
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+
5-Hydroxy-tryptophan
ME195165
439280
-
1.792
220.0868
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+
N-Acetylglucosamine
ME195418
446101
-
0.793
221.0887
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+
N-Acetylgalactosamine
ME195438
35717
-
0.793
221.0887
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O]
Cystathionine
ME195251
439258
-
0.659
222.0688
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+
Methyl jasmonate
ME195412
5281929
-
16.027
224.1395
PORPHOBILINOGEN (CAS# 487-90-1); (M+NA)+
Porphobilinogen
ME195496
1021
-
1.889
226.0956
CARNOSINE (CAS# 305-84-0); (M+NA)+
Carnosine
ME195226
439224
-
0.638
226.1048
CARNOSINE (CAS# 305-84-0); (M+H)+
Carnosine
ME195225
439224
-
0.656
226.1049
DEOXYCYTIDINE (CAS# 951-77-9); (2M+H)+
Deoxycytidine
ME195280
13711
-
0.948
227.0884
DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+
Deoxycytidine
ME195282
13711
-
0.932
227.0901
DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+
Deoxycytidine
ME195281
13711
-
1.022
227.0927
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+
Deoxyuridine
ME195283
13712
-
1.655
228.0765
NAPROXEN (CAS# 22204-53-1); (M+H)+
Naproxen
ME195457
156391
-
15.688
230.0943
NAPROXEN (CAS# 22204-53-1); (M+NA)+
Naproxen
ME195458
156391
-
15.728
230.095
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M+NA)+
Paracetamol sulfate
ME195149
83939
-
2.492
231.0209
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)...
-
ME195354
10444113
-
12.991
236.1039
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+NA...
-
ME195355
10444113
-
12.984
236.1057
CYSTINE (CAS# 56-89-3); (M+NA)+
Cystine
ME195253
6857538
-
0.675
240.0227
CYSTINE (CAS# 56-89-3); (M+H)+
Cystine
ME195252
6857538
-
0.669
240.0231
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85...
Anserine
ME195204
112072
-
0.776
240.1238
LUMICHROME (CAS# 1086-80-2); (M+NA)+
Lumichrome
ME195397
5326566
-
10.892
242.0826
THYMIDINE (CAS# 50-89-5); (M+NA)+
Thymidine
ME195559
5789
-
2.751
242.0914
CYTIDINE (CAS# 65-46-3); (2M+H)+
Cytidine
ME195254
6175
-
0.855
243.0867
CYTIDINE (CAS# 65-46-3); (M+H)+
Cytidine
ME195255
6175
-
0.854
243.0876
URIDINE (CAS# 58-96-8); (M+H)+
Uridine
ME195578
6029
-
1.351
244.0694
URIDINE (CAS# 58-96-8); (M+NA)+
Uridine
ME195579
6029
-
1.346
244.0705
BIOTIN (CAS# 58-85-5); (2M+H)+
Biotin
ME195212
11966127
-
6.364
244.0868
BIOTIN (CAS# 58-85-5); (M+NA)+
Biotin
ME195213
11966127
-
6.244
244.0888
N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+H)+
N1-Acetylspermine
ME195454
916
-
0.661
244.2249
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+
N-Acetyl-D-tryptophan
ME195419
439917
-
7.953
246.1002
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+
N-Acetyl-D-tryptophan
ME195420
439917
-
7.948
246.1014
SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+
Selenocystamine
ME195527
115119
-
0.543
247.931
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME195316
123938
-
0.728
250.0636
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME195315
123938
-
0.903
250.0641
DEOXYADENOSINE (CAS# 16373-93-6); (M+H)+
Deoxyadenosine
ME195273
13730
-
1.941
251.1039
DEOXYADENOSINE (CAS# 16373-93-6); (M+NA)+
Deoxyadenosine
ME195274
13730
-
1.918
251.1039
2'-DEOXYINOSINE (CAS# 890-38-0); (M+H)+
Deoxyinosine
ME195114
65058
-
2.066
252.0873
2'-DEOXYINOSINE (CAS# 890-38-0); (2M+NA)+
Deoxyinosine
ME195113
65058
-
2.058
252.0877
2'-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+
Deoxyinosine
ME195115
65058
-
2.081
252.0883
BOC-HIS-OH (CAS# 17791-52-5); (M+H)+
-
ME195220
87308
-
4.216
254.1165
DIPHENHYDRAMINE (CAS# 147-24-0); (M+H)+
Diphenhydramine
ME195292
3100
-
11.055
255.1616
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME195530
439285
-
0.694
257.1032
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+NA)+
Glucosamine 6-phosphate
ME195321
439217
-
0.809
259.0481
THIAMIN (CAS# 59-43-8); M+[-C6H9NOS]
Thiamine
ME195555
1130
-
0.667
265.1129
THIAMIN (CAS# 59-43-8); M+
Thiamine
ME195554
1130
-
0.676
265.1139
2'-DEOXYGUANOSINE (CAS# 961-07-9); (2M+H)+
Deoxyguanosine
ME195110
187790
-
1.628
267.0944
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+NA)+
Deoxyguanosine
ME195112
187790
-
2.041
267.096
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+
Deoxyguanosine
ME195111
187790
-
1.927
267.098
ADENOSINE (CAS# 58-61-7); (M+H)+
Adenosine
ME195180
60961
-
1.919
267.098
INOSINE (CAS# 58-63-9); (M+NA)+
Inosine
ME195362
6021
-
1.817
268.0817
INOSINE (CAS# 58-63-9); (M+H)+
Inosine
ME195361
6021
-
1.817
268.082
DIETHYLSTILBESTROL (CAS# 56-53-1); (M+H)+
Diethylstilbestrol
ME195291
448537
-
18.725
268.1463
ESTRONE (CAS# 53-16-7); (M+NA)+
Estrone
ME195302
5870
-
16.236
270.1601
ESTRONE (CAS# 53-16-7); (M+H)+
Estrone
ME195301
5870
-
16.335
270.1609
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+
beta-Estradiol
ME195300
5757
-
16.401
272.1798
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+
alpha-Linolenic acid
ME195192
5280934
-
22.841
278.2225
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+
gamma-Linolenic acid
ME195317
5280933
-
22.841
278.2225
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (2M+NA)+
Glucosamine
ME195444
13998612
-
4.05
279.1307
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+NA)+
Glucosamine
ME195445
13998612
-
3.373
279.1329
1-METHYLADENOSINE (CAS# 15763-06-1); (M+NA)+
1-Methyladenosine
ME195094
27476
-
2.937
281.1116
OLEIC ACID (CAS# 112-80-1); (M+H)+
Oleic acid
ME195472
445639
-
22.518
282.2533
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+
cis-Vaccenic acid
ME195236
5282761
-
22.931
282.256
ELAIDIC ACID (CAS# 112-79-8); (M+H)+
Elaidic acid
ME195295
637517
-
22.931
282.256
OLEIC ACID (CAS# 112-80-1); (M+NA)+
Oleic acid
ME195473
445639
-
22.542
282.2565
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+
Elaidic acid
ME195296
637517
-
22.813
282.2571
GUANOSINE (CAS# 118-00-3); (M+NA)+
Guanosine
ME195342
6802
-
1.823
283.0928
GUANOSINE (CAS# 118-00-3); (M+H)+
Guanosine
ME195341
6802
-
1.818
283.0939
XANTHOSINE (CAS# 146-80-5); (M+NA)+
Xanthosine
ME195589
64959
-
2.229
284.0774
XANTHOSINE (CAS# 146-80-5); (M+H)+
Xanthosine
ME195588
64959
-
2.276
284.0782
3BETA-HYDROXYANDROST-5-EN-17-ONE (CAS# 53-43-0); (...
Dehydroepiandrosterone
ME195146
5881
-
17.276
288.2065
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+
Ophthalmic acid
ME195475
7018721
-
1.078
289.1255
EPIANDROSTERONE (CAS# 481-29-8); (M+H)+[-H2O]
Epiandrosterone
ME195297
441302
-
18.365
290.2224
ANDROSTERONE (CAS# 53-41-8); (M+NA)+
Androsterone
ME195193
5879
-
19.854
290.2248
17BETA-HYDROXYANDROSTAN-3-ONE (CAS# 521-18-6); (M+...
5alpha-Dihydrotesosterone
ME195106
10635
-
18.49
290.2258
EPIANDROSTERONE (CAS# 481-29-8); (M+NA)+
Epiandrosterone
ME195298
441302
-
18.482
290.2258
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+
5'-Methylthioadenosine
ME195160
439176
-
4.499
297.0913
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+
5'-Methylthioadenosine
ME195161
439176
-
4.498
297.0919
SPHINGOSINE (CAS# 123-78-4); (M+H)+
Sphingosine
ME195536
5280335
-
20.243
299.2801
RETINOATE (CAS# 302-79-4); (M+H)+
Retinoic acid
ME195518
444795
-
20.355
300.2062
SPHINGANINE (CAS# 764-22-7); (M+NA)+
Sphinganine
ME195535
644260
-
21.026
301.2953
SPHINGANINE (CAS# 764-22-7); (M+H)+
Sphinganine
ME195534
644260
-
20.94
301.2956
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+H)+...
MG 14:0
ME195514
79050
-
22.141
302.2456
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...
MG 14:0
ME195515
79050
-
22.149
302.2467
DUMP (CAS# 964-26-1); (M+NA)+
dUMP
ME195294
65063
-
0.854
308.0386
DUMP (CAS# 964-26-1); (M+H)+
dUMP
ME195293
65063
-
1.009
308.0437
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+
N-Acetylneuraminic acid
ME195440
439197
-
0.717
309.1054
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+
N-Acetylneuraminic acid
ME195439
439197
-
0.814
309.1075
ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+
Arachidic acid
ME195195
10467
-
23.273
312.3017
PROGESTERONE (CAS# 57-83-0); (M+H)+
Progesterone
ME195498
5994
-
19.807
314.2216
MELANIN (CAS# 8049-97-6); (M+H)+
Melanin
ME195405
6325610
-
1.367
318.0612
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...
3beta-Hydroxy-5alpha-pregnan-20-one
ME195145
92787
-
20.711
318.2575
THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M+H)+
TMP
ME195560
12803287
-
1.703
322.0566
THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M+NA)...
TMP
ME195561
12803287
-
1.565
322.0597
3'-CMP (CAS# 63-37-6); (M+H)+
3'-CMP
ME195127
66535
-
0.773
323.0523
CMP (CAS# 63-37-6); (M+H)+
CMP
ME195240
6131
-
0.75
323.0523
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+NA)+
UMP
ME195580
6030
-
0.876
324.0363
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M+NA)+
N-Acetylcysteine
ME195434
12035
-
3.595
324.0438
DAMP (CAS# 653-63-4); (M+H)+
dAMP
ME195269
12599
-
1.208
331.0685
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+N...
Nicotinamide ribotide
ME195460
14180
-
0.62
334.0598
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]
LTB4
ME195393
5280492
-
20.72
336.2283
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+
LTB4
ME195392
5280492
-
20.624
336.2296
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+
LTB4
ME195394
5280492
-
20.839
336.2301
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+NA)+
N-Oleoyl glycine
ME195453
6436908
-
22.66
339.275
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME195206
439186
-
0.714
342.1175
LACTOSE (CAS# 63-42-3); (M+NA)+
Lactose
ME195386
440995
-
0.714
342.1175
MELIBIOSE (CAS# 585-99-9); (M+NA)+
Melibiose
ME195407
440658
-
0.714
342.1175
PALATINOSE (CAS# 343336-76-5); (M+NA)+
Palatinose
ME195479
439559
-
0.714
342.1175
BETA-MALTOSE (CAS# 69-79-4); (2M+NA)+
Maltose
ME195205
439186
-
0.703
342.1176
CELLOBIOSE (CAS# 528-50-7); (M+NA)+
Cellobiose
ME195227
294
-
0.714
342.119
MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME195402
439186
-
0.714
342.119
SUCROSE (CAS# 57-50-1); (M+NA)+
Sucrose
ME195541
5988
-
0.714
342.119
LACTOSE (CAS# 63-42-3); (M+K)+
Lactose
ME195385
440995
-
0.682
342.1195
MELIBIOSE (CAS# 585-99-9); (M+K)+
Melibiose
ME195406
440658
-
0.682
342.1195
LAUROYLCARNITINE (CAS# 25518-54-1); (M+NA)+
CAR 12:0
ME195389
168381
-
17.935
343.2695
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+
CAR 12:0
ME195388
168381
-
17.931
343.271
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M+NA)+
Gibberellin A3
ME195318
6466
-
8.35
346.1409
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+
Gibberellin A3
ME195319
6466
-
8.484
346.144
11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+
11-Deoxycortisol
ME195101
440707
-
15.407
346.2123
CORTICOSTERONE (CAS# 50-22-6); (M+H)+
Corticosterone
ME195241
5753
-
15.407
346.2123
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+
11-Deoxycortisol
ME195102
440707
-
15.386
346.2167
CORTICOSTERONE (CAS# 50-22-6); (M+NA)+
Corticosterone
ME195242
5753
-
15.387
346.2167
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+
AMP
ME195181
6083
-
0.992
347.0627
DGMP (CAS# 902-04-5); (M+H)+
dGMP
ME195288
6994968
-
1.001
347.0627
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M+H)+
IMP
ME195363
8582
-
0.997
348.0437
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O]
PGE2
ME195502
5280360
-
16.847
352.2221
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+
PGE2
ME195501
5280360
-
16.797
352.2233
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+
PGE2
ME195503
5280360
-
16.855
352.2236
BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH (CAS# 351002-65...
-
ME195219
4343849
-
20.175
355.1785
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O...
MG 18:1
ME195098
5283468
-
22.876
356.2902
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+
MG 18:1
ME195097
5283468
-
22.709
356.2923
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+
MG 18:1
ME195099
5283468
-
22.709
356.2936
ALDOSTERONE (CAS# 52-39-1); (M+H)+[-H2O]
Aldosterone
ME195188
5839
-
12.373
360.1907
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...
Thyrotropin releasing hormone
ME195563
638678
-
1.44
362.1696
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...
Thyrotropin releasing hormone
ME195564
638678
-
1.254
362.1725
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M+H)+
GMP
ME195343
6804
-
0.993
363.0599
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O]
TXB2
ME195558
5283137
-
16.797
370.2339
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+
TXB2
ME195557
5283137
-
16.815
370.238
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+
Riboflavin
ME195521
493570
-
7.592
376.14
RIBOFLAVIN (CAS# 83-88-5); (M+H)+
Riboflavin
ME195520
493570
-
7.596
376.1404
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+
Lithocholic acid
ME195395
9903
-
22.448
376.3009
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+
S-Adenosylhomocysteine
ME195523
439155
-
1.513
384.1221
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...
Lathosterol
ME195170
65728
-
24.605
386.355
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]
Cholesterol
ME195232
5997
-
24.605
386.355
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...
Bis(2-ethylhexyl)phthalate
ME195215
8343
-
23.11
390.2782
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+
Bis(2-ethylhexyl)phthalate
ME195214
8343
-
23.108
390.2802
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+[-H2O]
Deoxycholic acid
ME195278
222528
-
21.671
392.291
URSODIOL (CAS# 128-13-2); (M+H)+[-H2O]
Ursodeoxycholic acid
ME195582
31401
-
21.641
392.291
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+H)+
Deoxycholic acid
ME195275
222528
-
21.695
392.2916
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+
Deoxycholic acid
ME195276
222528
-
21.697
392.2928
HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+
Hyodeoxycholic acid
ME195351
5283820
-
20.108
392.293
URSODIOL (CAS# 128-13-2); (M+NA)+
Ursodeoxycholic acid
ME195583
31401
-
21.611
392.2931
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+
Deoxycholic acid
ME195279
222528
-
21.695
392.2932
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+
Deoxycholic acid
ME195277
222528
-
21.547
392.295
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+
S-Adenosylmethionine
ME195524
34755
-
0.799
398.1381
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+
CAR 16:0
ME195481
11953816
-
21.343
399.3319
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+
CAR 16:0
ME195480
11953816
-
21.341
399.3342
CALCIDIOL (CAS# 19356-17-3); (M+NA)+
25-Hydroxyvitamin D3
ME195224
5283731
-
22.664
400.3316
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+NA)+
25-Hydroxycholesterol
ME195126
65094
-
22.704
402.3459
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+NA)+
Cortisol 21-acetate
ME195244
5744
-
15.419
404.2181
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+[-H2O]
Cortisol 21-acetate
ME195243
5744
-
15.802
404.2224
CHOLATE (CAS# 81-25-4); (2M+H)+[-H2O]
Cholic acid
ME195229
221493
-
20.329
408.2878
CHOLATE (CAS# 81-25-4); (M+NA)+
Cholic acid
ME195231
221493
-
20.341
408.2885
CHOLATE (CAS# 81-25-4); (2M+H)+
Cholic acid
ME195228
221493
-
20.326
408.2888
CHOLATE (CAS# 81-25-4); (2M+NA)+
Cholic acid
ME195230
221493
-
20.327
408.2889
DGDP (CAS# 653-63-4); (M+H)+
dGDP
ME195287
439220
-
1.208
427.0315
FOLIC ACID (CAS# 59-30-3); (M+H)+
Folic acid
ME195309
6037
-
5.782
441.1438
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+
Glycochenodeoxycholic acid
ME195331
9548796
-
20.392
449.3147
GLYCOCHOLATE (CAS# 475-31-0); (2M+NA)+
Glycocholic acid
ME195333
10140
-
18.762
465.3045
GLYCOCHOLATE (CAS# 475-31-0); (2M+H)+
Glycocholic acid
ME195332
10140
-
18.898
465.309
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+
Glycocholic acid
ME195334
10140
-
18.863
465.3092
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O]
Glycocholic acid
ME195335
10140
-
18.905
465.3095
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+
Glycocholic acid
ME195336
10140
-
18.869
465.3111
LOPERAMIDE (CAS# 34552-83-5); (M+H)+
Loperamide
ME195396
3955
-
15.006
476.227
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+
LPE 18:0
ME195108
9547068
-
22.697
481.3122
18:0 LYSO-PE (CAS# 69747-55-3); (2M+H)+
LPE 18:0
ME195107
9547068
-
22.885
481.3133
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+
LPE 18:0
ME195109
9547068
-
22.672
481.3198
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+
Taurolithocholic acid
ME195550
439763
-
21.919
483.3035
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O]
Taurolithocholic acid
ME195549
439763
-
22.13
483.3061
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+
LPC 16:0
ME195103
460602
-
22.304
495.3336
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+
LPC 16:0
ME195104
460602
-
22.303
495.3336
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+
Taurochenodeoxycholic acid
ME195546
387316
-
20.246
499.2961
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+H)+[-H2...
Taurochenodeoxycholic acid
ME195545
387316
-
20.49
499.2974
RAFFINOSE (CAS# 512-69-6); (M+NA)+
Raffinose
ME195517
439242
-
0.766
504.1704
RAFFINOSE (CAS# 512-69-6); (M+K)+
Raffinose
ME195516
439242
-
0.762
504.1731
TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O]
Taurocholic acid
ME195547
6675
-
18.316
515.2923
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+
Taurocholic acid
ME195548
6675
-
18.279
515.2929
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+
LPC 20:0
ME195123
24779473
-
23.27
551.3897
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+
LPC 20:0
ME195124
24779473
-
22.988
551.3925
ADP-RIBOSE (CAS# ); (M+H)+[-H2O]
ADP-ribose
ME195183
33576
-
0.981
559.0735
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+
Protoporphyrin
ME195504
4971
-
22.884
562.2572
BILIVERDIN (CAS# 114-25-0); (M+H)+
Biliverdin
ME195210
5280353
-
18.668
582.2489
BILIVERDIN (CAS# 114-25-0); (M+NA)+
Biliverdin
ME195211
5280353
-
18.643
582.2508
BILIRUBIN (CAS# 635-65-4); (M+H)+[-H2O]
Bilirubin
ME195209
5280352
-
11.508
584.2636
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+
Trimethylamine
ME195568
1146
-
0.711
59.0732
ETHANOLAMINE (CAS# 141-43-5); (M+NA)+
Ethanolamine
ME195303
700
-
0.929
61.0532
GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Glutathione
ME195329
124886
-
1.355
612.1522
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2
Oxidized glutathione
ME195477
65359
-
1.338
612.1528
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Oxidized glutathione
ME195478
65359
-
1.334
612.1536
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2
Glutathione
ME195330
124886
-
1.361
612.1554
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME195223
46891735
-
22.952
643.5026
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME195222
46891735
-
23.237
643.5033
NAD (CAS# 53-84-9); (M+H)+
NAD
ME195456
5893
-
0.927
663.1103
STACHYOSE (CAS# 54261-98-2); (M+NA)+
Stachyose
ME195538
439531
-
0.725
666.2222
STACHYOSE (CAS# 54261-98-2); (M+K)+
Stachyose
ME195537
439531
-
0.726
666.226
METHYLGUANIDINE (CAS# 471-29-4); (M+H)+
Methylguanidine
ME195413
10111
-
0.662
73.0639
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+
PC 16:0_18:0
ME195105
18631368
-
25.605
761.588
THYROXINE (CAS# 51-48-9); (M+H)+
Thyroxine
ME195565
5819
-
16.2
776.6907
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+
SM 18:1;O2/24:0
ME195125
44260127
-
27.865
814.6944
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+
3-Methyl-2-butenal
ME195141
61020
-
2.513
84.0581
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+
gamma-Butyrolactone
ME195314
7302
-
1.977
86.0372
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...
2-Methylpropanal oxime
ME195122
9023
-
0.827
87.0683
PUTRESCINE (CAS# 110-60-1); (M+H)+
Putrescine
ME195506
1045
-
0.55
88.0997
BETA-ALANINE (CAS# 107-95-9); (M+H)+
beta-Alanine
ME195203
239
-
0.711
89.0479
SARCOSINE (CAS# 107-97-1); (M+H)+
Sarcosine
ME195526
1088
-
0.711
89.0479
ALANINE (CAS# 56-41-7); (M+H)+
Alanine
ME195187
5950
-
1.041
89.0481
ALANINE (CAS# 56-41-7); (2M+H)+[-H2O]
Alanine
ME195186
5950
-
0.874
89.0482
3-HYDROXYPROPANOATE (CAS# 503-66-2); (M+NA)+
Hydroxypropionic acid
ME195138
68152
-
1.003
90.0323
2-HYDROXYPYRIDINE (CAS# 142-08-5); (M+H)+
2-Hydroxypyridine
ME195120
8871
-
1.556
95.0363
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