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Return to study ST000693 main page
Analysis: Reversed phase NEGATIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-
11-Deoxycortisol
ME193929
440707
-
15.397
346.2161
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-
11-Deoxycortisol
ME193930
440707
-
15.392
346.2145
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-
PC 16:0_18:0
ME193932
18631368
-
25.448
761.594
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-
PC 16:0_18:0
ME193933
18631368
-
25.541
761.5907
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
LPC 16:0
ME193931
460602
-
22.299
495.333
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
LPE 18:0
ME193934
9547068
-
22.669
481.3165
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-
1-Methyladenosine
ME193927
27476
-
3.259
281.1104
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-
MG 18:1
ME193928
5283468
-
22.648
356.2915
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-
LPC 20:0
ME193944
24779473
-
22.726
551.3937
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-
LPC 20:0
ME193945
24779473
-
22.918
551.4004
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-
SM 18:1;O2/24:0
ME193946
44260127
-
27.834
814.6944
2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ...
Phosphoethanolamine
ME193937
1015
-
0.683
141.0183
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...
dCMP
ME193935
13945
-
0.706
307.0554
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-
2-Deoxy-glucose
ME193938
439268
-
0.688
164.0677
2'-DEOXYINOSINE (CAS# 890-38-0); (M-H)-
Deoxyinosine
ME193936
65058
-
2.092
252.0876
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME193939
853180
-
3.388
118.0629
2-HYDROXYBUTYRATE (CAS# ); (M-H)-
2-Hydroxybutyric acid
ME193940
11266
-
1.756
104.0477
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
2-Methylglutaric acid
ME193941
12046
-
3.565
146.0583
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-
Citraconic acid
ME193942
643798
-
2.401
130.0267
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-
Oxoadipic acid
ME193943
71
-
1.486
160.0364
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...
Hydroxyphenyllactic acid
ME193947
9378
-
3.813
182.0578
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...
3beta-Hydroxy-5alpha-pregnan-20-one
ME193955
92787
-
20.519
318.259
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...
Dehydroepiandrosterone sulfate
ME193956
12594
-
15.579
368.1674
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...
3-Hydroxymethylglutaric acid
ME193948
1662
-
1.599
162.052
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M-H)-
Hydroxykynurenine
ME193949
11811
-
1.093
224.0816
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-
3-Hydroxyphenylacetic acid
ME193950
12122
-
7.492
152.0464
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M-H)-
Hydroxypyruvic acid
ME193951
964
-
0.844
104.0104
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-
Methylglutaric acid
ME193952
12284
-
3.555
146.0583
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-
3-Methyladipic acid
ME193953
12292
-
5.701
160.0733
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)-
Ureidopropionic acid
ME193954
111
-
0.719
132.0524
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-
4-Hydroxybenzoic acid
ME193957
135
-
4.014
138.0325
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-
Ketoleucine
ME193958
70
-
4.899
130.0626
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-
Ketoleucine
ME193959
70
-
4.899
130.0626
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-
4-Nitrobenzoic acid
ME193960
101532566
-
8.514
167.0219
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
4-Nitrophenol
ME193961
980
-
7.037
139.0271
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-
4-Pyridoxic acid
ME193962
6723
-
1.903
183.0531
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-
5-Aminopentanoic acid
ME193966
138
-
0.99
117.0781
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-
5'-Deoxyadenosine
ME193963
439182
-
2.519
251.1
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-
5-Hydroxyindoleacetic acid
ME193967
1826
-
4.27
191.0585
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-
5-Methyl-THF
ME193968
9825434
-
3.664
459.1889
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
5'-Methylthioadenosine
ME193964
439176
-
4.487
297.0899
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-
5'-Methylthioadenosine
ME193965
439176
-
4.486
297.0896
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
Pyroglutamic acid
ME193969
7405
-
1.152
129.0423
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-
5-Valerolactone
ME193970
10953
-
1.926
100.0531
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-
Pimelic acid
ME193971
385
-
5.701
160.0733
7-AMINOCEPHALOSPORANIC ACID (CAS# 957-68-6); (M-H)...
7-Aminocephalosporanic acid
ME193972
441328
-
1.569
272.0445
ACETOACETATE (CAS# 541-50-4); (M-H)-
Acetoacetic acid
ME193973
96
-
2.847
102.0322
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+
AMP
ME193975
6083
-
0.963
347.0597
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-
AMP
ME193976
6083
-
0.954
347.0628
ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)...
Adenosine phosphosulfate
ME193977
10238
-
0.593
427.0163
ADENOSINE (CAS# 58-61-7); (M+HCOO)-
Adenosine
ME193974
60961
-
1.657
267.0972
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-
Adipic acid
ME193978
196
-
3.555
146.0583
ADP-RIBOSE (CAS# ); (M-H)-
ADP-ribose
ME193979
33576
-
0.957
559.075
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
Allose
ME193980
439507
-
1.604
180.0638
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...
Galactose 1-phosphate
ME193981
123912
-
0.726
260.0274
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H...
2-Hydroxyisobutyric acid
ME193982
440873
-
1.756
104.0475
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
alpha-Linolenic acid
ME193983
5280934
-
22.847
278.2223
ARABITOL (CAS# 7643-75-6); (M+CL)-
Arabitol
ME193984
94154
-
0.671
152.0676
ARABITOL (CAS# 7643-75-6); (M+HCOO)-
Arabitol
ME193985
94154
-
0.731
152.0673
ARACHIDONATE (CAS# 506-32-1); (M-H)-
Arachidonic acid
ME193986
444899
-
22.707
304.2409
ASPARAGINE (CAS# 70-47-3); (M-H)-
Asparagine
ME193987
6267
-
0.719
132.0524
ASPARTATE (CAS# 56-84-8); (M-H)-
Aspartic acid
ME193988
5960
-
0.65
133.0371
AZELAIC ACID (CAS# 123-99-9); (M-H)-
Azelaic acid
ME193989
2266
-
10.724
188.1049
BETA-ALANINE (CAS# 107-95-9); (M-H)-
beta-Alanine
ME193990
239
-
0.646
89.0479
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85...
Anserine
ME193991
112072
-
0.622
240.1214
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]
Maltose
ME193992
439186
-
0.719
342.1152
BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O]
Maltose
ME193993
439186
-
0.838
342.1137
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME193994
439186
-
0.686
342.1133
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME193995
439186
-
0.777
342.1135
BIOTIN (CAS# 58-85-5); (2M-H)-
Biotin
ME193996
11966127
-
5.887
244.0875
BIOTIN (CAS# 58-85-5); (M-H)-
Biotin
ME193997
11966127
-
6.254
244.0866
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)...
Bis-gamma-glutamylcystine
ME193998
90657696
-
1.042
498.1047
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME193999
46891735
-
23.252
643.5007
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME194000
46891735
-
22.94
643.4989
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-
Caprylic acid
ME194001
379
-
10.095
144.1149
CATECHOL (CAS# 120-80-9); (M-H)-
Pyrocatechol
ME194002
289
-
2.732
110.0368
CELLOBIOSE (CAS# 528-50-7); (M+CL)-
Cellobiose
ME194003
294
-
0.686
342.1133
CHOLATE (CAS# 81-25-4); (2M-H)-
Cholic acid
ME194004
221493
-
20.35
408.2875
CHOLATE (CAS# 81-25-4); (M+CL)-
Cholic acid
ME194005
221493
-
20.348
408.2853
CHOLATE (CAS# 81-25-4); (M-H)-
Cholic acid
ME194006
221493
-
20.341
408.2877
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); (M-...
Cholesterol sulfate
ME194007
65076
-
23.964
466.3123
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-
Choline phosphate
ME194008
1014
-
0.624
183.0651
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-
cis-Gondoic acid
ME194009
5282768
-
23.257
310.2875
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
cis-Vaccenic acid
ME194010
5282761
-
22.929
282.2562
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
cis-Zeatin
ME194011
688597
-
3.896
219.112
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
cis-Zeatin
ME194012
688597
-
3.892
219.1124
CITRAMALATE (CAS# 2306-22-1); (M-H)-
Citramalic acid
ME194013
441696
-
1.351
148.0372
CITRATE (CAS# 77-92-9); (M-H)-
Citric acid
ME194014
311
-
0.885
192.0273
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-
Corticosterone
ME194015
5753
-
15.395
346.2161
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-
Corticosterone
ME194016
5753
-
15.392
346.2145
CORTISONE (CAS# 53-06-5); (M+HCOO)-
Cortisone
ME194017
222786
-
13.38
360.1938
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...
Cycloheptanecarboxylic acid
ME194018
15091
-
10.724
142.0994
CYSTATHIONINE (CAS# 56-88-2); (M-H)-
Cystathionine
ME194019
439258
-
0.69
222.069
CYSTINE (CAS# 56-89-3); (M-H)-
Cystine
ME194020
6857538
-
0.637
240.0219
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (2M-...
CDP-choline
ME194022
13804
-
0.577
488.1119
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+C...
CDP-choline
ME194023
13804
-
0.75
488.1069
CYTIDINE (CAS# 65-46-3); (M-H)-
Cytidine
ME194021
6175
-
0.657
243.0833
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-
Arabinose
ME194024
66308
-
0.783
150.0517
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-
Dehydroascorbic acid
ME194034
210328
-
0.801
174.015
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
Dehydroascorbic acid
ME194036
210328
-
0.8
174.0163
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-
Dehydroascorbic acid
ME194035
210328
-
0.847
174.0168
DEOXYADENOSINE (CAS# 16373-93-6); (M-H)-
Deoxyadenosine
ME194037
13730
-
1.556
251.1027
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-
Deoxycholic acid
ME194038
222528
-
21.778
392.2908
DEOXYCYTIDINE (CAS# 951-77-9); (M-H)-
Deoxycytidine
ME194040
13711
-
0.618
227.0903
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-
Deoxycytidine
ME194039
13711
-
0.996
227.0892
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-
Deoxyuridine
ME194041
13712
-
1.616
228.0763
DEOXYURIDINE (CAS# 951-78-0); (M-H)-
Deoxyuridine
ME194043
13712
-
1.637
228.0725
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-
Deoxyuridine
ME194042
13712
-
1.64
228.0733
DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)-
3'-Dephospho-CoA
ME194044
444485
-
3.759
687.1456
D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)-
Galactosamine
ME194025
3034366
-
0.646
179.0778
D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)-
Glucosamine
ME194026
439213
-
0.646
179.0778
D-GLUCOSAMINE (CAS# 3416-24-8); (M-H)-
Glucosamine
ME194027
439213
-
0.616
179.0782
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-
Glucose 6-phosphate
ME194028
5958
-
0.726
260.0274
DGMP (CAS# 902-04-5); (M-H)-
dGMP
ME194045
6994968
-
1.164
347.0634
DIACETYL (CAS# 431-03-8); (M+HCOO)-
Diacetyl
ME194046
650
-
2.056
86.0366
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)-
Dihydroxymandelic acid
ME194047
85782
-
0.919
184.0371
D-LYXOSE (CAS# 1114-34-7); (M+CL)-
Lyxose
ME194029
65550
-
0.728
150.052
D-LYXOSE (CAS# 1114-34-7); (M-H)-
Lyxose
ME194030
65550
-
0.682
150.0514
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-
Docosahexaenoic acid
ME194048
445580
-
22.688
328.2408
D-ORNITHINE (CAS# 348-66-3); (M-H)-
D-Ornithine
ME194031
6262
-
0.568
132.0898
D-PSICOSE (CAS# 551-68-8); (M+CL)-
Psicose
ME194032
90008
-
0.656
180.0625
D-TAGATOSE (CAS# 87-81-0); (M+CL)-
D-Tagatose
ME194033
90008
-
0.656
180.0625
EDTA (CAS# 60-00-4); (M-H)-
Edetic acid
ME194049
6049
-
1.159
292.0918
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
Elaidic acid
ME194050
637517
-
22.929
282.2562
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-
24-epi-Brassinolide
ME194051
115196
-
19.808
480.3452
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...
24-epi-Brassinolide
ME194052
115196
-
19.809
480.3458
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)-
Phosphoethanolamine
ME194053
1015
-
0.696
141.0183
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
Ethylmalonic acid
ME194054
11756
-
2.596
132.0422
FRUCTOSE (CAS# 57-48-7); (M+CL)-
Fructose
ME194055
5984
-
0.656
180.0625
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-
Fructose
ME194056
5984
-
0.674
180.0623
FUMARATE (CAS# 110-17-8); (2M-H)-
Fumaric acid
ME194057
444972
-
1.22
116.0104
FUMARATE (CAS# 110-17-8); (M-H)-
Fumaric acid
ME194058
444972
-
1.266
116.0116
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-
Galacturonic acid
ME194059
84740
-
0.813
194.041
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-
gamma-Butyrolactone
ME194060
7302
-
2.056
86.0366
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)...
gamma-Glutamylcysteine
ME194061
123938
-
1.003
250.0603
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
gamma-Linolenic acid
ME194062
5280933
-
22.847
278.2223
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-
Gibberellin A3
ME194063
6466
-
8.497
346.1423
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
Gibberellin A3
ME194064
6466
-
8.502
346.1425
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-
Gibberellin A3
ME194065
6466
-
8.498
346.1418
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
Glucaric acid
ME194066
33037
-
0.724
210.0387
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
Gluconic acid
ME194067
10690
-
0.818
196.0572
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-
Glucose 1-phosphate
ME194069
65533
-
0.726
260.0274
GLUCOSE (CAS# 50-99-7); (M+CL)-
Glucose
ME194068
5793
-
0.656
180.0625
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-
Glucuronic acid
ME194070
94715
-
0.666
194.0424
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-
Glucuronic acid
ME194071
94715
-
0.813
194.041
GLUTAMINE (CAS# 56-85-9); (M-H)-
Glutamine
ME194072
5961
-
0.635
146.0679
GLUTARATE (CAS# 110-94-1); (M-H)-
Glutaric acid
ME194073
743
-
2.056
132.0422
GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Glutathione
ME194074
124886
-
1.367
612.152
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL (CAS# 93...
Glyceraldehyde 3-phosphate diethyl acetal
ME194076
3334922
-
3.348
244.0716
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
Glyceraldehyde
ME194075
79014
-
1.647
90.0309
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-
sn-Glycero-2-phosphate
ME194077
2526
-
0.72
172.012
GLYCINE (CAS# 56-40-6); (M-H)-
Glycine
ME194078
750
-
0.634
75.032
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-
Glycocholic acid
ME194079
10140
-
18.867
465.3084
GUANINE (CAS# 73-40-5); (M-H)-
Guanine
ME194080
764
-
0.844
151.049
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)-
GMP
ME194083
6804
-
1
363.0605
GUANOSINE (CAS# 118-00-3); (M+CL)-
Guanosine
ME194081
6802
-
1.768
283.0927
GUANOSINE (CAS# 118-00-3); (M-H)-
Guanosine
ME194082
6802
-
1.833
283.091
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
Margaric acid
ME194084
10465
-
22.999
270.2554
HOMOVANILLATE (CAS# 306-08-1); (M-H)-
Homovanillic acid
ME194085
1738
-
5.707
182.0564
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
Hyodeoxycholic acid
ME194086
5283820
-
22.889
392.2952
HYPOTAURINE (CAS# 300-84-5); (M-H)-
Hypotaurine
ME194087
107812
-
0.629
109.0188
HYPOXANTHINE (CAS# 68-94-0); (M-H)-
Hypoxanthine
ME194088
790
-
1.116
136.0377
INDICAN (CAS# 487-60-5); (2M+CL)-[-H2O]
Indican
ME194089
441564
-
1.025
295.107
INOSINE (CAS# 58-63-9); (M+CL)-
Inosine
ME194090
6021
-
1.777
268.0826
INOSINE (CAS# 58-63-9); (M-H)-
Inosine
ME194091
6021
-
1.826
268.0813
ISOCITRATE (CAS# 320-77-4); (M-H)-
Isocitric acid
ME194092
5318532
-
0.734
192.0269
ISOLEUCINE (CAS# 73-32-5); (M-H)-
Isoleucine
ME194093
6306
-
1.613
131.094
ITACONATE (CAS# 97-65-4); (M-H)-
Itaconic acid
ME194094
811
-
1.852
130.0274
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-
Jasmonic acid
ME194095
5281166
-
13.139
210.1252
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-
Jasmonic acid
ME194096
5281166
-
13.139
210.1258
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
2-Aminobenzoic acid
ME194105
227
-
5.359
138.0445
LACTOSE (CAS# 63-42-3); (M+CL)-
Lactose
ME194106
440995
-
0.686
342.1133
LACTOSE (CAS# 63-42-3); (M-H)-
Lactose
ME194107
440995
-
0.811
342.1147
LANTHIONINE (CAS# 3183-08-2); (M-H)-
Lanthionine
ME194108
102950
-
0.838
208.0522
L-ARGININE (CAS# 74-79-3); (M-H)-
Arginine
ME194097
6322
-
0.62
174.1116
LEUCINE (CAS# 328-39-2); (M-H)-
Leucine
ME194109
6106
-
1.613
131.094
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-
LTB4
ME194110
5280492
-
20.73
336.229
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]
Gulonic acid
ME194098
152304
-
0.673
196.0569
L-HISTIDINE (CAS# 71-00-1); (M-H)-
Histidine
ME194099
6274
-
0.627
155.0691
LINOLEATE (CAS# 60-33-3); (M-H)-
Linoleic acid
ME194111
5280450
-
22.728
280.2405
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)-
Methionine sulfoximine
ME194100
89034
-
0.673
180.0581
L-ORNITHINE (CAS# 70-26-8); (M-H)-
Ornithine
ME194101
6262
-
0.568
132.0898
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-
Rhamnose
ME194102
25310
-
0.688
164.0677
L-RHAMNOSE (CAS# 10030-85-0); (M-H)-
Rhamnose
ME194103
25310
-
0.62
164.0692
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
Tryptophan
ME194104
16217285
-
3.625
206.0842
LUMICHROME (CAS# 1086-80-2); (M-H)-
Lumichrome
ME194112
5326566
-
10.913
242.0802
LYSINE (CAS# 56-87-1); (M-H)-
Lysine
ME194113
5962
-
0.574
146.1054
MALATE (CAS# 97-67-6); (M-H)-
Malic acid
ME194115
222656
-
0.867
134.0216
MALATE (CAS# 97-67-6); (M-H)+[-H2O]
Malic acid
ME194114
222656
-
0.771
134.0205
MALEAMATE (CAS# 557-24-4); (M-H)-
Maleamic acid
ME194116
5280451
-
0.669
115.027
MALEIC ACID (CAS# 110-16-7); (M-H)-
Maleic acid
ME194117
444266
-
1.036
116.0116
MALONATE (CAS# 141-82-2); (M-H)-
Malonic acid
ME194118
867
-
0.876
104.0104
MALONIC ACID-D4 (CAS# 813-56-9); (M-H)-
Malonic acid
ME194119
867
-
0.876
108.0351
MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME194120
439186
-
0.686
342.1133
MALTOSE (CAS# 69-79-4); (M+HCOO)-
Maltose
ME194121
439186
-
0.777
342.1135
MANDELIC ACID (CAS# 611-71-2); (M-H)-
Mandelic acid
ME194122
11914
-
5.63
152.0467
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-
Mannose 6-phosphate
ME194123
439198
-
0.726
260.0274
MELIBIOSE (CAS# 585-99-9); (M+CL)-
Melibiose
ME194124
440658
-
0.686
342.1133
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-
Melibiose
ME194125
440658
-
0.777
342.1135
METHIONINE (CAS# 63-68-3); (M-H)-
Methionine
ME194126
6137
-
1.043
149.0499
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...
Methyl beta-D-galactoside
ME194127
94214
-
0.953
194.0808
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCO...
Methyl beta-D-galactoside
ME194128
94214
-
0.656
194.0771
METHYLMALONATE (CAS# 516-05-2); (M-H)-
Methylmalonic acid
ME194129
487
-
1.328
118.0271
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-
Monomethyl glutaric acid
ME194130
73917
-
3.555
146.0583
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
Myristic acid
ME194131
11005
-
22.456
228.2089
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-
Myristoleic acid
ME194132
5281119
-
22.128
226.1928
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
N-Acetylmethionine
ME194134
448580
-
4.081
191.0615
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-
N-Acetyl-D-tryptophan
ME194133
439917
-
7.952
246.1001
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
N-Acetylalanine
ME194135
88064
-
1.521
131.0581
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-
N-Acetylaspartic acid
ME194136
65065
-
0.649
175.0467
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)-
N-Acetylcysteine
ME194137
12035
-
3.614
324.0442
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-
N-Acetylleucine
ME194138
75619
-
7.191
173.1052
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-
N-Acetylphenylalanine
ME194139
74839
-
7.727
207.0889
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
N-Acetylneuraminic acid
ME194140
439197
-
0.535
309.1049
NAD (CAS# 53-84-9); (M-H)-
NAD
ME194145
5893
-
0.926
663.1115
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)-
Guanidinosuccinic acid
ME194141
439918
-
0.785
175.0608
NERVONIC ACID (CAS# 506-37-6); (M-H)-
Nervonic acid
ME194146
5281120
-
24.15
366.3489
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (CAS# 22052...
Nicotinamide purin-6-ol-dinucleotide
ME194147
440334
-
1.219
664.094
NICOTINATE (CAS# 59-67-6); (M-H)-
Nicotinic acid
ME194148
938
-
1.076
123.0318
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+CL)-
N-Nitrosodiethanolamine
ME194142
14223
-
0.746
134.0695
N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)-
N-Oleoyl glycine
ME194143
6436908
-
22.286
339.2746
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)-
N-Oleoyl glycine
ME194144
6436908
-
22.531
339.274
NORLEUCINE (CAS# 327-57-1); (M-H)-
Norleucine
ME194149
21236
-
1.613
131.094
OLEIC ACID (CAS# 112-80-1); (M-H)-
Oleic acid
ME194151
445639
-
22.929
282.2562
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-
Ophthalmic acid
ME194152
7018721
-
1.227
289.1266
OROTATE (CAS# 65-86-1); (M-H)-
Orotic acid
ME194153
967
-
0.875
156.0159
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)-
o-Succinylhomoserine
ME194150
439406
-
0.901
219.0758
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2
Oxidized glutathione
ME194154
65359
-
1.398
612.1522
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-
Oxidized glutathione
ME194155
65359
-
1.367
612.152
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...
p-Acetamidophenylglucuronide
ME194156
83944
-
1.948
327.0936
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...
p-Acetamidophenylglucuronide
ME194157
83944
-
2.257
327.0953
PALATINOSE (CAS# 343336-76-5); (M+CL)-
Palatinose
ME194158
439559
-
0.686
342.1133
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-
Palatinose
ME194159
439559
-
0.777
342.1135
PALMITATE (CAS# 57-10-3); (M-H)-
Palmitic acid
ME194160
985
-
22.847
256.2403
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
Palmitoleic acid
ME194161
445638
-
22.59
254.2247
PANTOTHENATE (CAS# 79-83-4); (M+CL)-
Pantothenic acid
ME194162
6613
-
3.279
219.109
PANTOTHENATE (CAS# 79-83-4); (M-H)-
Pantothenic acid
ME194163
6613
-
3.281
219.1109
PARAXANTHINE (CAS# 611-59-6); (M-H)-
Paraxanthine
ME194164
4687
-
4.386
180.0647
PENTANOATE (CAS# 109-52-4); (M+HCOO)-
Valeric acid
ME194165
7991
-
2.218
102.0671
PHENYL ACETATE (CAS# 122-79-2); (M-H)-
Phenyl acetate
ME194167
999
-
3.845
136.0532
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
Phenyl acetate
ME194166
999
-
3.813
136.0523
PHENYLACETIC ACID (CAS# 103-82-2); (M+HCOO)-
Phenylacetic acid
ME194168
999
-
5.707
136.0512
PHENYLALANINE (CAS# 63-91-2); (M-H)-
Phenylalanine
ME194169
6140
-
2.521
165.079
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-
Phenylpyruvic acid
ME194170
997
-
5.515
164.0459
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)-
Phosphocreatine
ME194171
9548602
-
1.136
211.0376
PICOLINIC ACID (CAS# 98-98-6); (M-H)-
Picolinic acid
ME194172
1018
-
1.065
123.0311
PINITOL (CAS# 10284-63-6); (M+CL)-
Pinitol
ME194173
164619
-
0.96
194.0808
PROPENOATE (CAS# 79-10-7); (M-H)-
Acrylic acid
ME194174
6581
-
1.001
72.0218
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)-
PGE2
ME194175
5280360
-
16.865
352.2237
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-
PGE2
ME194176
5280360
-
16.88
352.2232
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-[-H2O]
PGE2
ME194177
5280360
-
16.908
352.223
PTERIN (CAS# 2236-60-4); (M-H)-
Pterin
ME194178
73000
-
1.53
163.0499
PURINE (CAS# 120-73-0); (M-H)-
Purine
ME194179
1044
-
1.594
120.0426
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (2M-H)+
Pyridoxal 5'-phosphate
ME194180
1051
-
1.025
247.0222
PYRUVATE (CAS# 127-17-3); (M-H)-
Pyruvic acid
ME194181
1060
-
0.719
88.0166
RAFFINOSE (CAS# 512-69-6); (M+CL)-
Raffinose
ME194182
439242
-
0.712
504.1673
RAFFINOSE (CAS# 512-69-6); (M+HCOO)-
Raffinose
ME194183
439242
-
0.81
504.1665
RESORCINOL MONOACETATE (CAS# 102-29-4); (M-H)-
Resorcinol monoacetate
ME194184
5055
-
7.504
152.0468
RETINOATE (CAS# 302-79-4); (M-H)-
Retinoic acid
ME194185
444795
-
22.286
300.2109
RIBITOL (CAS# 488-81-3); (M+CL)-
Ribitol
ME194186
94154
-
0.671
152.0676
RIBOFLAVIN (CAS# 83-88-5); (M+CL)-
Riboflavin
ME194187
493570
-
7.616
376.14
RIBOFLAVIN (CAS# 83-88-5); (M-H)-
Riboflavin
ME194189
493570
-
7.606
376.1391
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-
Riboflavin
ME194188
493570
-
7.607
376.1388
RIBOSE (CAS# 50-69-1); (M+CL)-
Ribose
ME194190
5779
-
0.728
150.052
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME193924
440473
-
0.819
198.0658
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...
3-Methyl-2-oxovaleric acid
ME193925
47
-
4.494
130.0632
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-
S-Adenosylhomocysteine
ME194191
439155
-
1.534
384.1193
SALICYLATE (CAS# 69-72-7); (M-H)-
Salicylic acid
ME194192
338
-
8.281
138.0318
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-
4,5-Dihydroorotic acid
ME193926
1149667
-
0.766
158.0327
SEBACIC ACID (CAS# 111-20-6); (M-H)-
Sebacic acid
ME194193
5192
-
12.944
202.1203
SERINE (CAS# 56-45-1); (M-H)-
Serine
ME194194
617
-
0.627
105.0424
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME194195
439285
-
0.724
257.1004
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME194196
439285
-
0.642
257.1005
STACHYOSE (CAS# 54261-98-2); (M+CL)-
Stachyose
ME194197
439531
-
0.719
666.2209
STACHYOSE (CAS# 54261-98-2); (M-H)-
Stachyose
ME194199
439531
-
0.821
666.2194
STACHYOSE (CAS# 54261-98-2); (M+HCOO)-
Stachyose
ME194198
439531
-
0.839
666.2171
STEARATE (CAS# 57-11-4); (M-H)-
Stearic acid
ME194200
5281
-
23.187
284.2717
SUBERIC ACID (CAS# 505-48-6); (M-H)-
Suberic acid
ME194201
10457
-
8.249
174.089
SUCCINATE (CAS# 110-15-6); (M-H)-
Succinic acid
ME194202
1110
-
1.328
118.0271
SUCROSE (CAS# 57-50-1); (M+CL)-
Sucrose
ME194203
5988
-
0.686
342.1133
SUCROSE (CAS# 57-50-1); (M+HCOO)-
Sucrose
ME194204
5988
-
0.777
342.1135
TAURINE (CAS# 107-35-7); (M-H)-
Taurine
ME194205
1123
-
0.646
125.0143
TAUROLITHOCHOLATE (CAS# 516-90-5); (M-H)-
Taurolithocholic acid
ME194206
439763
-
21.68
483.3013
THEOPHYLLINE (CAS# 58-55-9); (M-H)-
Theophylline
ME194207
2153
-
4.366
180.0647
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-
TXB2
ME194208
5283137
-
16.519
370.2325
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]
TXB2
ME194209
5283137
-
16.88
370.2338
THYMIDINE (CAS# 50-89-5); (M+CL)-
Thymidine
ME194210
5789
-
2.687
242.0905
THYMIDINE (CAS# 50-89-5); (M-H)-
Thymidine
ME194212
5789
-
2.757
242.0892
THYMIDINE (CAS# 50-89-5); (M+HCOO)-
Thymidine
ME194211
5789
-
2.761
242.0887
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
trans-Aconitic acid
ME194213
444212
-
1.198
174.0165
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
trans-Vaccenic acid
ME194214
5281127
-
22.929
282.2562
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-
1,2,3-Propanetricarboxylic acid
ME194215
14925
-
1.304
176.032
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME194216
14925
-
1.087
176.0311
TRYPTOPHAN (CAS# 73-22-3); (M-H)-
Tryptophan
ME194217
6305
-
3.624
204.0892
TYROSINE (CAS# 60-18-4); (M-H)-
Tyrosine
ME194218
6057
-
1.35
181.0735
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)-
UDP-galactose
ME194219
44134987
-
1.661
566.0586
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)-
UDP-N-acetylglucosamine
ME194220
445675
-
1.67
607.0814
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)-
Uracil-5-carboxylic acid
ME194222
6971263
-
0.875
156.0157
URACIL (CAS# 66-22-8); (M-H)-
Uracil
ME194221
1174
-
0.891
112.0263
URATE (CAS# 69-93-2); (M-H)-
Uric acid
ME194223
1175
-
1.034
168.0277
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-
UMP
ME194227
6030
-
0.882
324.0332
URIDINE (CAS# 58-96-8); (M+CL)-
Uridine
ME194224
6029
-
1.367
244.07
URIDINE (CAS# 58-96-8); (M-H)-
Uridine
ME194226
6029
-
1.377
244.0696
URIDINE (CAS# 58-96-8); (M+HCOO)-
Uridine
ME194225
6029
-
1.376
244.0711
UROCANATE (CAS# 104-98-3); (M-H)-
Urocanic acid
ME194228
736715
-
1.077
138.0421
URSODIOL (CAS# 128-13-2); (M-H)-
Ursodeoxycholic acid
ME194230
31401
-
21.696
392.2908
URSODIOL (CAS# 128-13-2); (M+HCOO)-
Ursodeoxycholic acid
ME194229
31401
-
21.596
392.2922
VALINE (CAS# 72-18-4); (M-H)-
Valine
ME194231
6287
-
0.99
117.0781
XANTHINE (CAS# 69-89-6); (M-H)-
Xanthine
ME194232
1188
-
1.29
152.0336
XANTHOSINE (CAS# 146-80-5); (M-H)-
Xanthosine
ME194233
64959
-
2.295
284.0762
XANTHURENIC ACID (CAS# 59-00-7); (M-H)-
Xanthurenic acid
ME194234
5699
-
4.61
205.0366
XYLOSE (CAS# 58-86-6); (M+HCOO)-
Xylose
ME194235
135191
-
0.783
150.0517
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-
trans-Zeatin
ME194236
449093
-
3.896
219.112
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-
trans-Zeatin
ME194237
449093
-
3.892
219.1124
Analysis: Reversed phase POSITIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+
10-Hydroxydecanoic acid
ME194248
6991989
-
13.851
188.1408
11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+
11-Deoxycortisol
ME194249
440707
-
15.388
346.2111
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+
11-Deoxycortisol
ME194250
440707
-
15.39
346.2147
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+
PC 16:0_18:0
ME194253
18631368
-
25.561
761.5893
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+
PC 16:0_18:0
ME194254
18631368
-
25.537
761.5962
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+
LPC 16:0
ME194251
460602
-
22.296
495.3328
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+
LPC 16:0
ME194252
460602
-
22.293
495.333
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+
LPE 18:0
ME194255
9547068
-
22.669
481.3157
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+
LPE 18:0
ME194256
9547068
-
22.666
481.3191
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...
1-Aminocyclopropanecarboxylic acid
ME194241
5460234
-
0.954
101.0473
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+
1-Methyladenosine
ME194242
27476
-
3.148
281.1127
1-METHYLADENOSINE (CAS# 15763-06-1); (M+NA)+
1-Methyladenosine
ME194243
27476
-
3.209
281.1111
1-METHYLNICOTINAMIDE (CAS# ); M+
1-Methyl nicotinamide
ME194244
457
-
0.66
137.0718
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+
MG 18:1
ME194245
5283468
-
22.678
356.2898
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O...
MG 18:1
ME194246
5283468
-
22.805
356.2901
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+
MG 18:1
ME194247
5283468
-
22.703
356.2936
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+
LPC 20:0
ME194268
24779473
-
23.045
551.3958
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+
LPC 20:0
ME194269
24779473
-
23.011
551.3975
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+H)+
SM 18:1;O2/24:0
ME194270
44260127
-
27.869
814.6946
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+
SM 18:1;O2/24:0
ME194271
44260127
-
27.832
814.6949
2-AMINOBUTANOATE (CAS# 2623-91-8); (M+H)+
2-Aminobutyric acid
ME194261
21889526
-
0.722
103.0628
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...
dCMP
ME194257
13945
-
1.196
307.0558
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+
2-Deoxy-glucose
ME194262
439268
-
0.733
164.0684
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+
Deoxyguanosine
ME194258
187790
-
1.48
267.0977
2'-DEOXYINOSINE (CAS# 890-38-0); (2M+NA)+
Deoxyinosine
ME194259
65058
-
2.09
252.0858
2'-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+
Deoxyinosine
ME194260
65058
-
2.071
252.0877
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME194263
853180
-
3.529
118.0634
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...
2-Hydroxy-4-(methylthio)butanoic acid
ME194264
11427
-
3.188
150.0345
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+
2-Hydroxybutyric acid
ME194265
11266
-
1.671
104.0481
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+
2-Methylglutaric acid
ME194266
12046
-
3.553
146.059
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...
2-Methylpropanal oxime
ME194267
9023
-
0.833
87.0692
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA...
Hydroxyphenyllactic acid
ME194272
9378
-
3.811
182.0589
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+H)+[-H2O]
3-Dehydroshikimic acid
ME194273
439774
-
0.973
172.0375
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+NA)+
3-Dehydroshikimic acid
ME194274
439774
-
1.301
172.0373
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+
3-Dehydroxycarnitine
ME194275
725
-
0.695
145.1091
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...
3-Hydroxymethylglutaric acid
ME194276
1662
-
1.694
162.0543
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA...
3-Hydroxymethylglutaric acid
ME194277
1662
-
1.558
162.0517
3-HYDROXYBENZYL ALCOHOL (CAS# 620-24-6); (M+H)+
3-Hydroxybenzyl alcohol
ME194278
102
-
5.69
124.0519
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M+H)+
Hydroxykynurenine
ME194279
11811
-
1.283
224.0816
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M+H)+
3-Hydroxyphenylacetic acid
ME194280
12122
-
8.772
152.0461
3-METHOXY-4-HYDROXYMANDELATE (CAS# 55-10-7); M+[-O...
Vanillylmandelic acid
ME194281
736172
-
1.67
198.0512
3-METHOXYTYRAMINE (CAS# ); (M+H)+
3-Methoxytyramine
ME194282
1669
-
1.906
167.0933
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+
Methylglutaric acid
ME194283
12284
-
3.553
146.059
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+
3-Methyladipic acid
ME194284
12292
-
5.701
160.075
3-METHYLHISTAMINE (CAS# 644-42-8); (M+H)+
3-Methylhistamine
ME194285
69520
-
0.549
125.0954
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+
3-Methylxanthine
ME194286
70639
-
2.298
166.0491
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+
Ureidopropionic acid
ME194287
111
-
0.699
132.0531
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+
4-Acetamidobutanoic acid
ME194288
18189
-
1.872
145.0736
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+
p-Aminobenzoic acid
ME194289
978
-
2.848
137.0464
4-AMINOBUTANOATE (CAS# 56-12-2); (M+H)+
gamma-Aminobutyric acid
ME194290
119
-
0.723
103.0628
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME194291
3845
-
4.995
189.0418
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0...
4-Hydroxy-3-methoxybenzenemethanol
ME194292
62348
-
3.901
154.0643
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+
cis-4-Hydroxyproline
ME194293
440015
-
0.749
131.0581
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+
4-Hydroxyphenyl acetate
ME194294
127
-
4.534
152.0468
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)...
Ketoleucine
ME194295
70
-
4.566
130.0629
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O]
4-Pyridoxic acid
ME194296
6723
-
2.034
183.0524
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...
Lathosterol
ME194308
65728
-
24.586
386.3548
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+
5-Amino-levulinic acid
ME194300
137
-
0.749
131.0581
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+
5-Aminopentanoic acid
ME194301
138
-
0.724
117.0797
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+H)+
5'-Deoxyadenosine
ME194297
439182
-
2.806
251.1014
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+
5-Hydroxyindoleacetic acid
ME194302
1826
-
4.276
191.0596
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+NA)+
5-Hydroxyindoleacetic acid
ME194303
1826
-
4.275
191.0584
5-METHYLCYTOSINE (CAS# 554-01-8); (M+H)+
5-Methylcytosine
ME194304
65040
-
1.005
125.0599
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+
5-Methyl-THF
ME194305
9825434
-
3.678
459.1873
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+
5'-Methylthioadenosine
ME194298
439176
-
4.505
297.0903
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+
5'-Methylthioadenosine
ME194299
439176
-
4.504
297.0901
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+
Pyroglutamic acid
ME194306
7405
-
1.191
129.0432
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+
5-Valerolactone
ME194307
10953
-
2.06
100.0521
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+
Pimelic acid
ME194309
385
-
5.701
160.075
6-HYDROXYDOPAMINE (CAS# 0); (2M+H)+[-H2O]
6-Hydroxydopamine
ME194310
4624
-
2.007
169.0751
ABRINE (CAS# 526-31-8); (M+H)+
N(alpha)-Methyl-tryptophan
ME194311
160511
-
3.569
218.1036
ACETYLCHOLINE (CAS# 51-84-3); M+
Acetylcholine
ME194312
187
-
3.891
146.1173
ADENINE (CAS# 73-24-5); (M+H)+
Adenine
ME194313
190
-
0.947
135.055
ADENOSINE 5'-DIPHOSPHATE (CAS# 58-64-0); (M+H)+
ADP
ME194315
6022
-
1.21
427.0321
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+
AMP
ME194316
6083
-
0.976
347.0646
ADENOSINE (CAS# 58-61-7); (M+H)+
Adenosine
ME194314
60961
-
1.48
267.0977
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+
Adipic acid
ME194317
196
-
3.553
146.059
ADP-RIBOSE (CAS# ); (M+H)+
ADP-ribose
ME194318
33576
-
0.641
559.075
ADP-RIBOSE (CAS# ); (M+H)+[-H2O]
ADP-ribose
ME194319
33576
-
0.996
559.0763
ADP-RIBOSE (CAS# ); (M+NA)+
ADP-ribose
ME194320
33576
-
0.636
559.077
AHBA (CAS# 76045-71-1); (M+H)+
3-Amino-5-hydroxybenzoic acid
ME194321
127115
-
1.455
153.0414
ALANINE (CAS# 56-41-7); (M+H)+
Alanine
ME194322
5950
-
1.333
89.0483
ALLANTOIN (CAS# 97-59-6); (M+H)+
Allantoin
ME194323
439714
-
0.645
158.0449
ALLANTOIN (CAS# 97-59-6); (M+NA)+
Allantoin
ME194324
439714
-
0.726
158.0443
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O]
Allose
ME194325
439507
-
1.552
180.0648
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M+H)+[-H2O]
2-Oxoglutaric acid
ME194326
51
-
0.851
146.0216
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+
alpha-Linolenic acid
ME194327
5280934
-
22.84
278.223
ANDROSTERONE (CAS# 53-41-8); (M+H)+[-H2O]
Androsterone
ME194328
5879
-
19.654
290.2238
ANDROSTERONE (CAS# 53-41-8); (M+NA)+
Androsterone
ME194329
5879
-
19.871
290.2235
ANTHRANILATE (CAS# 118-92-3); (M+H)+
2-Aminobenzoic acid
ME194330
227
-
5.369
137.0471
ARABINOSE (CAS# 147-81-9); (M+NA)+
Arabinose
ME194331
66308
-
0.97
150.0528
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]
Vitamin C
ME194332
54670067
-
1.114
176.0316
ASPARAGINE (CAS# 70-47-3); (M+H)+
Asparagine
ME194333
6267
-
0.671
132.0544
ASPARAGINE (CAS# 70-47-3); (M+NA)+
Asparagine
ME194334
6267
-
0.677
132.0536
AZELAIC ACID (CAS# 123-99-9); (M+H)+
Azelaic acid
ME194335
2266
-
10.729
188.1035
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O]
Azelaic acid
ME194336
2266
-
10.719
188.1035
AZELAIC ACID (CAS# 123-99-9); (M+NA)+
Azelaic acid
ME194337
2266
-
10.718
188.1057
BETA-ALANINE (CAS# 107-95-9); (M+H)+
beta-Alanine
ME194338
239
-
0.681
89.0485
BETAINE (CAS# 107-43-7); (M+H)+
Betaine
ME194341
247
-
0.689
117.0796
BETAINE (CAS# 107-43-7); (M+NA)+
Betaine
ME194342
247
-
0.648
117.0791
BETA-MALTOSE (CAS# 69-79-4); (2M+NA)+
Maltose
ME194339
439186
-
0.689
342.1134
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME194340
439186
-
0.693
342.1167
BILIVERDIN (CAS# 114-25-0); (M+H)+
Biliverdin
ME194343
5280353
-
18.72
582.2482
BILIVERDIN (CAS# 114-25-0); (M+NA)+
Biliverdin
ME194344
5280353
-
18.663
582.251
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+
Bis(2-ethylhexyl)phthalate
ME194345
8343
-
23.115
390.2791
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...
Bis(2-ethylhexyl)phthalate
ME194346
8343
-
23.103
390.2778
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M+H)...
Bis-gamma-glutamylcystine
ME194347
90657696
-
0.956
498.1042
BOC-PRO-OH (CAS# 15761-39-4); (2M+NA)+
-
ME194348
85083
-
11.297
215.1153
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME194349
46891735
-
22.949
643.5057
CAFFEINE (CAS# 58-08-2); (M+H)+
Caffeine
ME194350
2519
-
5.908
194.0802
CAFFEINE (CAS# 58-08-2); (M+NA)+
Caffeine
ME194351
2519
-
5.727
194.0807
CALCIDIOL (CAS# 19356-17-3); (M+H)+
25-Hydroxyvitamin D3
ME194352
5283731
-
22.805
400.3372
CALCIDIOL (CAS# 19356-17-3); (M+NA)+
25-Hydroxyvitamin D3
ME194353
5283731
-
22.686
400.3312
CARNOSINE (CAS# 305-84-0); (M+H)+
Carnosine
ME194354
439224
-
0.592
226.1068
CELLOBIOSE (CAS# 528-50-7); (M+NA)+
Cellobiose
ME194355
294
-
0.693
342.1167
CHOLATE (CAS# 81-25-4); (2M+H)+
Cholic acid
ME194356
221493
-
20.336
408.2901
CHOLATE (CAS# 81-25-4); (2M+H)+[-H2O]
Cholic acid
ME194357
221493
-
20.329
408.2886
CHOLATE (CAS# 81-25-4); (2M+NA)+
Cholic acid
ME194358
221493
-
20.331
408.2877
CHOLATE (CAS# 81-25-4); (M+NA)+
Cholic acid
ME194359
221493
-
20.333
408.288
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]
Cholesterol
ME194360
5997
-
24.587
386.3548
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[...
Cholesterol sulfate
ME194361
65076
-
23.813
466.3102
CHOLINE (CAS# 62-49-7); M+
Choline
ME194362
305
-
0.644
104.1081
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+
Choline phosphate
ME194363
1014
-
0.646
183.0663
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+
Choline phosphate
ME194364
1014
-
0.659
183.0665
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+
cis-Vaccenic acid
ME194365
5282761
-
22.927
282.2555
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+
cis-Zeatin
ME194366
688597
-
3.902
219.1126
CITRAMALATE (CAS# 2306-22-1); (M+H)+
Citramalic acid
ME194367
441696
-
1.495
148.0386
CITRATE (CAS# 77-92-9); (M+H)+[-H2O]
Citric acid
ME194368
311
-
1.289
192.0251
CITRATE (CAS# 77-92-9); (M+NA)+
Citric acid
ME194369
311
-
0.972
192.0278
CITRULLINE (CAS# 372-75-8); (M+H)+
Citrulline
ME194370
9750
-
0.726
175.0974
CITRULLINE (CAS# 372-75-8); (M+NA)+
Citrulline
ME194371
9750
-
0.718
175.0968
CORTICOSTERONE (CAS# 50-22-6); (M+H)+
Corticosterone
ME194372
5753
-
15.388
346.2111
CORTICOSTERONE (CAS# 50-22-6); (M+NA)+
Corticosterone
ME194373
5753
-
15.39
346.2147
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+NA)+
Cortisol 21-acetate
ME194374
5744
-
15.426
404.2162
CORTISONE (CAS# 53-06-5); (M+NA)+
Cortisone
ME194375
222786
-
13.381
360.1949
CREATINE (CAS# 57-00-1); (M+H)+
Creatine
ME194376
586
-
0.699
131.0699
CREATININE (CAS# 60-27-5); (M+NA)+
Creatinine
ME194377
588
-
0.721
113.0599
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+
-
ME194378
71309782
-
0.678
114.0618
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+H)+
-
ME194379
71309782
-
0.662
114.0614
CYCLOPENTANONE (CAS# 120-92-3); (2M+K)+
Cyclopentanone
ME194380
8452
-
3.281
84.0578
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O]
Cystathionine
ME194381
439258
-
0.663
222.0656
CYSTINE (CAS# 56-89-3); (M+H)+
Cystine
ME194382
6857538
-
0.633
240.0224
CYSTINE (CAS# 56-89-3); (M+NA)+
Cystine
ME194383
6857538
-
0.673
240.0233
CYTIDINE (CAS# 65-46-3); (M+H)+
Cytidine
ME194384
6175
-
0.747
243.0849
CYTOSINE (CAS# 71-30-7); (M+H)+
Cytosine
ME194385
597
-
0.738
111.0438
CYTOSINE (CAS# 71-30-7); (M+NA)+
Cytosine
ME194386
597
-
0.87
111.0436
DAMP (CAS# 653-63-4); (M+H)+
dAMP
ME194396
12599
-
1.044
331.0694
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+
Arabinose
ME194387
66308
-
0.97
150.0528
DEBRISOQUIN (CAS# 581-88-4); (M+H)+
Debrisoquine
ME194397
2966
-
5.324
175.1106
DECANOATE (CAS# 334-48-5); (2M+NA)+
Capric acid
ME194398
2969
-
22.788
172.1459
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O]
Dehydroascorbic acid
ME194399
210328
-
0.848
174.0171
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+
Deoxycholic acid
ME194400
222528
-
21.351
392.29
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+
Deoxycholic acid
ME194401
222528
-
21.695
392.289
DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+
Deoxycytidine
ME194402
13711
-
0.82
227.0898
DEOXYURIDINE (CAS# 951-78-0); (M+H)+
Deoxyuridine
ME194403
13712
-
1.474
228.0753
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+
Deoxyuridine
ME194404
13712
-
1.678
228.0746
DEPHOSPHO-COA (CAS# 3633-59-8); (M+2H)+2
3'-Dephospho-CoA
ME194405
444485
-
3.992
687.1444
DEPHOSPHO-COA (CAS# 3633-59-8); (M+H)+
3'-Dephospho-CoA
ME194406
444485
-
3.978
687.1471
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+
Galactosamine
ME194388
3034366
-
0.703
179.0792
D-GALACTOSAMINE (CAS# 7535-00-4); (M+K)+
Galactosamine
ME194389
3034366
-
0.6
179.0786
DGDP (CAS# 653-63-4); (M+H)+
dGDP
ME194407
439220
-
1.055
427.0307
D-GLUCOSAMINE (CAS# 3416-24-8); (M+H)+
Glucosamine
ME194390
439213
-
0.703
179.0792
DGMP (CAS# 902-04-5); (M+H)+
dGMP
ME194408
6994968
-
1.251
347.0646
D-LYXOSE (CAS# 1114-34-7); (M+NA)+
Lyxose
ME194391
65550
-
0.964
150.0528
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+
Galactosamine
ME194392
3034366
-
0.703
179.0792
D-MANNOSAMINE (CAS# 14307-02-9); (M+K)+
2-Amino-2-deoxy-D-mannose
ME194393
3034366
-
0.6
179.0786
D-ORNITHINE (CAS# 348-66-3); (M+H)+
D-Ornithine
ME194394
6262
-
0.55
132.0895
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]
Psicose
ME194395
90008
-
0.696
180.0639
DUMP (CAS# 964-26-1); (M+K)+
dUMP
ME194409
65063
-
1.241
308.0429
EDTA (CAS# 60-00-4); (M+H)+
Edetic acid
ME194410
6049
-
0.961
292.0913
EDTA (CAS# 60-00-4); (M+NA)+
Edetic acid
ME194411
6049
-
0.962
292.0913
ELAIDIC ACID (CAS# 112-79-8); (M+H)+
Elaidic acid
ME194412
637517
-
22.927
282.2555
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+
Elaidic acid
ME194413
637517
-
22.756
282.2568
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O]
Epinephrine
ME194414
5816
-
0.721
183.088
ERYTHRITOL (CAS# 149-32-6); (M+NA)+
Erythritol
ME194415
222285
-
0.739
122.0588
ESTRONE (CAS# 53-16-7); (M+NA)+
Estrone
ME194416
5870
-
16.229
270.161
ETHYLMALONIC ACID (CAS# 601-75-2); (2M+NA)+[-H2O]
Ethylmalonic acid
ME194417
11756
-
2.9
132.0434
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+
Ethylmalonic acid
ME194418
11756
-
2.821
132.0431
FERULATE (CAS# 1135-24-6); (M+H)+
trans-Ferulic acid
ME194419
445858
-
8.395
194.0567
FLUCYTOSINE (CAS# 2022-85-7); (M+H)+
Flucytosine
ME194420
3366
-
0.728
129.034
FRUCTOSE (CAS# 57-48-7); (M+NA)+
Fructose
ME194421
5984
-
0.753
180.0645
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+[-H2...
Galactitol
ME194422
11850
-
0.663
182.0776
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+
Galactitol
ME194423
11850
-
0.653
182.0777
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+
gamma-Butyrolactone
ME194424
7302
-
2.061
86.0361
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME194425
123938
-
0.992
250.0635
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...
gamma-Glutamylcysteine
ME194426
123938
-
0.992
250.0619
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+
gamma-Linolenic acid
ME194427
5280933
-
22.84
278.223
GDPGLUCOSE (CAS# ); (M+NA)+
GDP-glucose
ME194428
644106
-
1.724
605.0765
GDPMANNOSE (CAS# ); (M+NA)+
GDP-mannose
ME194429
18396
-
0.635
605.0815
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+
Gibberellin A3
ME194430
6466
-
8.493
346.1422
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+
Glucosamine 6-phosphate
ME194431
439217
-
0.719
259.0441
GLUCOSE (CAS# 50-99-7); (2M+NA)+
Glucose
ME194432
5793
-
0.662
180.0622
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]
Glucose
ME194433
5793
-
0.715
180.0639
GLUCOSE (CAS# 50-99-7); (M+NA)+
Glucose
ME194434
5793
-
0.728
180.0642
GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+
Glucuronic acid
ME194435
94715
-
0.965
194.0422
GLUTAMATE (CAS# 56-86-0); (M+H)+
Glutamic acid
ME194436
33032
-
0.713
147.0535
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]
Glutamic acid
ME194437
33032
-
0.649
147.0536
GLUTAMINE (CAS# 56-85-9); (M+NA)+
Glutamine
ME194438
5961
-
0.627
146.069
GLUTARATE (CAS# 110-94-1); (M+NA)+
Glutaric acid
ME194439
743
-
2.058
132.043
GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Glutathione
ME194440
124886
-
1.356
612.153
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2
Glutathione
ME194441
124886
-
1.364
612.156
GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O]
Glyceraldehyde
ME194442
79014
-
1.434
90.0316
GLYCINE (CAS# 56-40-6); (M+H)+
Glycine
ME194443
750
-
0.701
75.0327
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2...
Glycochenodeoxycholic acid
ME194444
9548796
-
20.515
449.3119
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+
Glycochenodeoxycholic acid
ME194445
9548796
-
20.28
449.3141
GLYCOCHOLATE (CAS# 475-31-0); (2M+H)+
Glycocholic acid
ME194446
10140
-
18.604
465.3103
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+
Glycocholic acid
ME194447
10140
-
18.872
465.3083
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O]
Glycocholic acid
ME194448
10140
-
18.869
465.3091
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+
Glycocholic acid
ME194449
10140
-
18.86
465.3093
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+
Glycolithocholic acid
ME194450
115245
-
21.44
433.3182
GUANINE (CAS# 73-40-5); (M+H)+
Guanine
ME194451
764
-
0.999
151.0493
GUANINE (CAS# 73-40-5); (M+NA)+
Guanine
ME194452
764
-
0.934
151.0508
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+...
-
ME194455
451
-
1.256
589.0852
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M+H)+
GMP
ME194456
6804
-
0.824
363.0586
GUANOSINE (CAS# 118-00-3); (M+H)+
Guanosine
ME194453
6802
-
1.825
283.0924
GUANOSINE (CAS# 118-00-3); (M+NA)+
Guanosine
ME194454
6802
-
1.85
283.0912
HISTAMINE (CAS# 51-45-6); (M+H)+
Histamine
ME194457
774
-
0.541
111.08
HISTAMINE (CAS# 51-45-6); (M+NA)+
Histamine
ME194458
774
-
0.541
111.0798
HOMOCYSTEINE (CAS# 454-29-5); (M+H)+
Homocysteine
ME194459
91552
-
0.724
135.0356
HOMOGENTISATE (CAS# 451-13-8); (M+H)+
Homogentisic acid
ME194460
780
-
1.967
168.0414
HOMOSERINE (CAS# 672-15-1); (M+H)+
Homoserine
ME194461
12647
-
0.656
119.0592
HOMOVANILLATE (CAS# 306-08-1); (M+H)+
Homovanillic acid
ME194462
1738
-
5.703
182.0569
HYPOTAURINE (CAS# 300-84-5); (M+H)+
Hypotaurine
ME194463
107812
-
0.64
109.0194
HYPOXANTHINE (CAS# 68-94-0); (M+H)+
Hypoxanthine
ME194464
790
-
1.061
136.0392
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+
Hypoxanthine
ME194465
790
-
1.114
136.0394
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+
Indoleacetaldehyde
ME194467
800
-
1.808
159.0669
INDOLE (CAS# 120-72-9); (2M+NA)+
Indole
ME194466
798
-
6.499
117.0577
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M+NA)+
IMP
ME194470
8582
-
1.025
348.045
INOSINE (CAS# 58-63-9); (M+H)+
Inosine
ME194468
6021
-
1.82
268.0826
INOSINE (CAS# 58-63-9); (M+NA)+
Inosine
ME194469
6021
-
1.786
268.0816
ISOLEUCINE (CAS# 73-32-5); (M+H)+
Isoleucine
ME194471
6306
-
1.602
131.0954
ISOLEUCINE (CAS# 73-32-5); (M+NA)+
Isoleucine
ME194472
6306
-
1.516
131.0955
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+
Jasmonic acid
ME194473
5281166
-
13.138
210.1257
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+
Jasmonic acid
ME194474
5281166
-
13.136
210.126
KYNURENINE (CAS# 343-65-7); (M+H)+
Kynurenine
ME194475
161166
-
2.21
208.0844
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+
2-Aminobenzoic acid
ME194484
227
-
5.367
138.046
LACTOSE (CAS# 63-42-3); (M+K)+
Lactose
ME194485
440995
-
0.687
342.1155
LACTOSE (CAS# 63-42-3); (M+NA)+
Lactose
ME194486
440995
-
0.693
342.1167
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+
Allothreonine
ME194476
99289
-
0.656
119.0592
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]
Allothreonine
ME194477
99289
-
0.633
119.0587
LANOSTEROL (CAS# 79-63-0); (M+NA)+
Lanosterol
ME194487
246983
-
23.466
426.3881
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+
CAR 12:0
ME194488
168381
-
17.904
343.2718
LAUROYLCARNITINE (CAS# 25518-54-1); (M+NA)+
CAR 12:0
ME194489
168381
-
17.9
343.2717
L-CARNITINE (CAS# 541-15-1); (M+H)+
Carnitine
ME194478
10917
-
0.667
161.1059
LEUCINE (CAS# 328-39-2); (M+H)+
Leucine
ME194490
6106
-
1.634
131.0955
LEUCINE (CAS# 328-39-2); (M+NA)+
Leucine
ME194491
6106
-
1.544
131.0955
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+
LTB4
ME194492
5280492
-
20.875
336.2281
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]
LTB4
ME194493
5280492
-
20.801
336.2292
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+
LTB4
ME194494
5280492
-
20.733
336.2298
L-HISTIDINE (CAS# 71-00-1); (M+H)+
Histidine
ME194479
6274
-
0.616
155.0689
L-HISTIDINE (CAS# 71-00-1); (M+NA)+
Histidine
ME194480
6274
-
0.617
155.0698
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+
Lithocholic acid
ME194495
9903
-
22.366
376.2987
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M+H)+
Methionine sulfoximine
ME194481
89034
-
0.841
180.0564
LOPERAMIDE (CAS# 34552-83-5); (M+H)+
Loperamide
ME194496
3955
-
15.249
476.2263
L-ORNITHINE (CAS# 70-26-8); (M+H)+
Ornithine
ME194482
6262
-
0.55
132.0895
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+
Tryptophan
ME194483
16217285
-
3.616
206.0849
LUMICHROME (CAS# 1086-80-2); (M+H)+
Lumichrome
ME194497
5326566
-
10.898
242.0805
LUMICHROME (CAS# 1086-80-2); (M+NA)+
Lumichrome
ME194498
5326566
-
10.899
242.0819
LYSINE (CAS# 56-87-1); (M+H)+
Lysine
ME194499
5962
-
0.555
146.1058
LYSINE (CAS# 56-87-1); (M+NA)+
Lysine
ME194500
5962
-
0.565
146.105
MALEIMIDE (CAS# 541-59-3); (M+H)+
Maleimide
ME194501
10935
-
1.672
97.017
MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME194502
439186
-
0.693
342.1167
MANNITOL (CAS# 69-65-8); (M+NA)+
Mannitol
ME194503
6251
-
0.653
182.0777
MELIBIOSE (CAS# 585-99-9); (M+K)+
Melibiose
ME194504
440658
-
0.687
342.1155
MELIBIOSE (CAS# 585-99-9); (M+NA)+
Melibiose
ME194505
440658
-
0.693
342.1167
METHIONINE (CAS# 63-68-3); (M+H)+
Methionine
ME194506
6137
-
0.999
149.0518
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...
Methyl beta-D-galactoside
ME194507
94214
-
0.783
194.0784
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+
Methyl jasmonate
ME194508
5281929
-
16.036
224.1411
METHYLMALONATE (CAS# 516-05-2); (M+NA)+
Methylmalonic acid
ME194509
487
-
1.314
118.0273
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+
Monomethyl glutaric acid
ME194510
73917
-
3.553
146.0589
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+
Myo-inositol
ME194511
892
-
0.627
180.0644
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+
N-Acetylglucosamine
ME194513
446101
-
0.739
221.0903
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H...
N-Acetylglucosamine
ME194514
446101
-
0.698
221.0889
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+
N-Acetylglucosamine
ME194515
446101
-
0.714
221.0892
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+
N-Acetylglutamic acid
ME194520
185
-
1.31
189.0636
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+...
N-Acetylglutamic acid
ME194521
185
-
1.313
189.0636
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...
N-Acetylglutamic acid
ME194522
185
-
1.314
189.0644
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+
N-Acetylmethionine
ME194523
448580
-
4.081
191.0626
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H...
N-Acetylmethionine
ME194524
448580
-
4.083
191.0602
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+
N-Acetylmethionine
ME194525
448580
-
4.08
191.0622
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+
N-Acetylserine
ME194526
65249
-
0.748
147.0541
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]
N-Acetylserine
ME194527
65249
-
0.759
147.0535
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+
N-Acetylserine
ME194528
65249
-
0.783
147.0542
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+H)+
N-Acetyl-mannosamine
ME194516
53477792
-
0.739
221.0903
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+
N-Acetyl-mannosamine
ME194517
53477792
-
0.714
221.0892
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+
N-Acetyl-D-tryptophan
ME194518
439917
-
7.925
246.0992
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+
N-Acetyl-D-tryptophan
ME194519
439917
-
7.938
246.102
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+
N-Acetylgalactosamine
ME194536
35717
-
0.741
221.0881
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2...
N-Acetylgalactosamine
ME194537
35717
-
0.698
221.0889
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+
N-Acetylgalactosamine
ME194538
35717
-
0.714
221.0892
N-ACETYLGLYCINE (CAS# 543-24-8); (M+NA)+
N-Acetylglycine
ME194539
1097
-
0.949
117.0433
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+
N-Acetylalanine
ME194529
88064
-
1.451
131.0588
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-...
N-Acetylaspartic acid
ME194530
65065
-
0.832
175.048
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+
N-Acetylaspartic acid
ME194531
65065
-
0.992
175.0492
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+
N-Acetylleucine
ME194532
75619
-
7.172
173.1048
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+
N-Acetylleucine
ME194533
75619
-
7.171
173.1056
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+
N-Acetylphenylalanine
ME194534
74839
-
7.718
207.0895
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+
N-Acetylphenylalanine
ME194535
74839
-
7.72
207.0903
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+
N-Acetylneuraminic acid
ME194540
439197
-
0.698
309.1079
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+
N-Acetylneuraminic acid
ME194541
439197
-
0.745
309.1035
NAD (CAS# 53-84-9); (M+2H)+2
NAD
ME194554
5893
-
1.026
663.1066
NAD (CAS# 53-84-9); (M+H)+
NAD
ME194555
5893
-
1.025
663.109
NAD (CAS# 53-84-9); (M+NA)+
NAD
ME194556
5893
-
1.02
663.1128
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+N...
N-Acetylasparagine
ME194542
99715
-
0.82
174.0651
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+
N(2)-Acetyllysine
ME194543
92907
-
0.927
188.1148
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+
N-Cyclohexylformamide
ME194544
13017
-
7.936
127.0988
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+
N-Cyclohexylformamide
ME194545
13017
-
7.935
127.0989
NICOTINAMIDE (CAS# 98-92-0); (M+H)+
Niacinamide
ME194557
936
-
1.125
122.0488
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+H...
Nicotinamide ribotide
ME194558
14180
-
0.724
334.0592
NICOTINATE (CAS# 59-67-6); (M+H)+
Nicotinic acid
ME194559
938
-
1.026
123.0331
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+
N-Methyl-D-aspartic acid
ME194546
4376
-
0.724
147.0535
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+
N-Methyl-D-aspartic acid
ME194547
4376
-
0.725
147.0542
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O...
N-Methyl-glutamic acid
ME194548
439377
-
2.007
161.0683
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2...
N-Methyl-glutamic acid
ME194549
439377
-
1.948
161.0696
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+
Trigonelline
ME194550
5570
-
0.704
137.0472
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+NA)+
N-Nitrosodiethanolamine
ME194551
14223
-
0.761
134.0691
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+H)+
N-Oleoyl glycine
ME194552
6436908
-
22.646
339.2773
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+NA)+
N-Oleoyl glycine
ME194553
6436908
-
22.561
339.2749
NONANOATE (CAS# 112-05-0); (M+NA)+
Pelargonic acid
ME194560
8158
-
13.183
158.132
NORLEUCINE (CAS# 327-57-1); (M+H)+
Norleucine
ME194561
21236
-
1.713
131.0949
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]
Normetanephrine
ME194562
688100
-
2.52
183.0897
NORVALINE (CAS# 6600-40-4); M+[-CO2H]
Norvaline
ME194564
65098
-
0.872
117.0801
NORVALINE (CAS# 6600-40-4); (M+H)+
Norvaline
ME194563
65098
-
0.795
117.0797
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+
3-Methylhistidine
ME194512
64969
-
0.624
169.0842
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+
CAR 2:0
ME194565
18230
-
0.962
203.1173
OCTACOSANOIC ACID (CAS# 506-48-9); (M+H)+
Montanic acid
ME194568
10470
-
23.483
424.4301
OLEAMIDE (CAS# 301-02-0); (M+H)+
Oleamide
ME194569
5283387
-
22.69
281.2697
OLEIC ACID (CAS# 112-80-1); (M+H)+
Oleic acid
ME194570
445639
-
22.525
282.256
OLEIC ACID (CAS# 112-80-1); (M+NA)+
Oleic acid
ME194571
445639
-
22.552
282.2562
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M+H...
12-Hydroxy lauric acid
ME194572
79034
-
17.014
216.1713
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M+N...
12-Hydroxy lauric acid
ME194573
79034
-
17.256
216.1727
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+
DL-O-Phosphoserine
ME194566
106
-
0.919
185.0072
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+
Ophthalmic acid
ME194574
7018721
-
1.228
289.128
OROTATE (CAS# 65-86-1); (M+H)+
Orotic acid
ME194575
967
-
0.972
156.0159
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+
o-Succinylhomoserine
ME194567
439406
-
0.666
219.0726
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2
Oxidized glutathione
ME194576
65359
-
1.364
612.156
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+
Oxidized glutathione
ME194577
65359
-
1.356
612.153
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...
p-Acetamidophenylglucuronide
ME194578
83944
-
1.967
327.0922
PALATINOSE (CAS# 343336-76-5); (M+NA)+
Palatinose
ME194579
439559
-
0.693
342.1167
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+
CAR 16:0
ME194580
11953816
-
21.265
399.3327
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+
CAR 16:0
ME194581
11953816
-
21.268
399.335
PANTOTHENATE (CAS# 79-83-4); (M+H)+
Pantothenic acid
ME194582
6613
-
3.278
219.1109
PANTOTHENATE (CAS# 79-83-4); (M+NA)+
Pantothenic acid
ME194583
6613
-
3.278
219.111
PARAXANTHINE (CAS# 611-59-6); (M+NA)+
Paraxanthine
ME194584
4687
-
4.398
180.0639
PENICILLAMINE (CAS# 52-67-5); (2M+H)+[-H2]
Penicillamine
ME194585
5852
-
1.007
149.0512
PHENYL ACETATE (CAS# 122-79-2); (M+H)+
Phenyl acetate
ME194586
999
-
3.903
136.0533
PHENYLACETIC ACID (CAS# 103-82-2); (M+H)+
Phenylacetic acid
ME194587
999
-
3.901
136.0533
PHENYLALANINE (CAS# 63-91-2); (M+H)+
Phenylalanine
ME194588
6140
-
2.52
165.0792
PHENYLALANINE (CAS# 63-91-2); (M+NA)+
Phenylalanine
ME194589
6140
-
2.519
165.0792
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+[-H2O]
Phenylephrine
ME194590
6041
-
1.514
167.0941
PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+
2-Hydroxyphenethylamine
ME194591
1000
-
1.53
137.0835
PHENYLPYRUVATE (CAS# 156-06-9); (M+NA)+
Phenylpyruvic acid
ME194592
997
-
5.152
164.0485
PHTHALATE (CAS# 88-99-3); (M+NA)+
Phthalic acid
ME194593
1017
-
4.868
166.0258
PICOLINIC ACID (CAS# 98-98-6); (M+H)+
Picolinic acid
ME194594
1018
-
1.026
123.0331
PINITOL (CAS# 10284-63-6); (M+NA)+
Pinitol
ME194595
164619
-
0.675
194.0789
PIPECOLATE (CAS# 535-75-1); (M+H)+
Pipecolic acid
ME194596
849
-
0.675
129.079
PIPECOLATE (CAS# 535-75-1); (M+NA)+
Pipecolic acid
ME194597
849
-
0.841
129.0787
PORPHOBILINOGEN (CAS# 487-90-1); (M+H)+
Porphobilinogen
ME194598
1021
-
2.146
226.0935
PORPHOBILINOGEN (CAS# 487-90-1); (M+NA)+
Porphobilinogen
ME194599
1021
-
2.088
226.0954
PREGNENOLONE (CAS# 145-13-1); (M+NA)+
Pregnenolone
ME194600
8955
-
20.062
316.2373
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME194601
83228
-
0.726
162.1002
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME194602
83228
-
0.725
162.1001
PROGESTERONE (CAS# 57-83-0); (M+H)+
Progesterone
ME194603
5994
-
19.815
314.2221
PROGESTERONE (CAS# 57-83-0); (M+NA)+
Progesterone
ME194604
5994
-
19.535
314.2268
PROLINE (CAS# 147-85-3); (M+H)+
Proline
ME194605
145742
-
0.695
115.0639
PROLINE (CAS# 147-85-3); (M+NA)+
Proline
ME194606
145742
-
0.704
115.0644
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+
PGE2
ME194607
5280360
-
16.757
352.2225
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O]
PGE2
ME194608
5280360
-
16.915
352.2228
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+
PGE2
ME194609
5280360
-
16.856
352.2243
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+
Protoporphyrin
ME194610
4971
-
22.927
562.255
PTERIN (CAS# 2236-60-4); (M+H)+
Pterin
ME194611
73000
-
1.716
163.0478
PURINE (CAS# 120-73-0); (M+NA)+
Purine
ME194612
1044
-
1.472
120.0442
PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O]
Pyridoxal
ME194613
1050
-
2.062
167.0588
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (2M+H)+
Pyridoxal 5'-phosphate
ME194614
1051
-
1.06
247.0262
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M+H)+
Pyridoxal 5'-phosphate
ME194615
1051
-
1.27
247.0227
QUINATE (CAS# 77-95-2); (M+H)+
Quinic acid
ME194616
6508
-
1.01
192.0619
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+
2-Hydroxyquinoline
ME194617
6038
-
7.675
145.0538
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+H)+...
MG 14:0
ME194618
79050
-
22.166
302.2449
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...
MG 14:0
ME194619
79050
-
22.092
302.244
RAFFINOSE (CAS# 512-69-6); (M+K)+
Raffinose
ME194620
439242
-
0.721
504.1671
RAFFINOSE (CAS# 512-69-6); (M+NA)+
Raffinose
ME194621
439242
-
0.736
504.1688
RIBITOL (CAS# 488-81-3); (M+H)+
Ribitol
ME194622
94154
-
0.685
152.0694
RIBITOL (CAS# 488-81-3); (M+NA)+
Ribitol
ME194623
94154
-
0.876
152.0694
RIBOFLAVIN (CAS# 83-88-5); (M+H)+
Riboflavin
ME194624
493570
-
7.602
376.1393
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+
Riboflavin
ME194625
493570
-
7.602
376.1418
RIBOSE (CAS# 50-69-1); (M+K)+
Ribose
ME194626
5779
-
0.724
150.0539
RIBOSE (CAS# 50-69-1); (M+NA)+
Ribose
ME194627
5779
-
0.97
150.052
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME194239
440473
-
0.858
198.0659
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+
S-Adenosylhomocysteine
ME194628
439155
-
1.376
384.1214
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+
S-Adenosylmethionine
ME194629
34755
-
0.634
398.1353
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+
Salsolinol
ME194238
7157331
-
1.289
179.0937
SARCOSINE (CAS# 107-97-1); (M+H)+
Sarcosine
ME194631
1088
-
0.681
89.0485
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M+H)+
4,5-Dihydroorotic acid
ME194240
1149667
-
0.707
158.0315
SEBACIC ACID (CAS# 111-20-6); (M+NA)+
Sebacic acid
ME194632
5192
-
12.862
202.1191
SERINE (CAS# 56-45-1); (M+H)+
Serine
ME194633
617
-
0.995
105.0425
S-HEXYL-GLUTATHIONE (CAS# 24425-56-7); (M+H)+
S-Hexyl-glutathione
ME194630
97536
-
11.646
391.1778
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O]
Shikimic acid
ME194634
8742
-
0.833
174.0526
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME194635
439285
-
0.651
257.1031
SPERMIDINE (CAS# 124-20-9); (M+H)+
Spermidine
ME194636
1102
-
0.554
145.1576
SPHINGANINE (CAS# 764-22-7); (M+H)+
Sphinganine
ME194637
644260
-
20.809
301.2953
SPHINGANINE (CAS# 764-22-7); (M+NA)+
Sphinganine
ME194638
644260
-
20.879
301.2969
SPHINGOSINE (CAS# 123-78-4); (M+H)+
Sphingosine
ME194639
5280335
-
20.457
299.2821
SPHINGOSINE (CAS# 123-78-4); (M+H)+[-H2O]
Sphingosine
ME194640
5280335
-
20.452
299.2799
SPHINGOSINE (CAS# 123-78-4); (M+NA)+
Sphingosine
ME194641
5280335
-
20.458
299.2827
STACHYOSE (CAS# 54261-98-2); (M+K)+
Stachyose
ME194642
439531
-
0.73
666.2204
STACHYOSE (CAS# 54261-98-2); (M+NA)+
Stachyose
ME194643
439531
-
0.741
666.2196
SUBERIC ACID (CAS# 505-48-6); (M+NA)+
Suberic acid
ME194644
10457
-
8.24
174.0903
SUCROSE (CAS# 57-50-1); (M+NA)+
Sucrose
ME194645
5988
-
0.7
342.1171
TAURINE (CAS# 107-35-7); (M+K)+
Taurine
ME194646
1123
-
0.625
125.0151
TAURINE (CAS# 107-35-7); (M+NA)+
Taurine
ME194647
1123
-
0.625
125.0158
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+H)+
Taurochenodeoxycholic acid
ME194648
387316
-
20.298
499.2977
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+
Taurochenodeoxycholic acid
ME194649
387316
-
20.304
499.2962
TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O]
Taurocholic acid
ME194650
6675
-
18.419
515.2926
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+
Taurocholic acid
ME194651
6675
-
18.378
515.2929
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+
Taurolithocholic acid
ME194652
439763
-
21.994
483.3026
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+
Taurolithocholic acid
ME194653
439763
-
21.67
483.3005
THEOBROMINE (CAS# 83-67-0); (M+NA)+
Theobromine
ME194654
5429
-
3.406
180.0636
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+
Theophylline
ME194655
2153
-
4.299
180.0639
THIAMIN (CAS# 59-43-8); M+
Thiamine
ME194656
1130
-
0.678
265.1122
THIAMIN (CAS# 59-43-8); M+[-C6H9NOS]
Thiamine
ME194657
1130
-
0.657
265.1122
THIAMIN MONOPHOSPHATE (CAS# 532-40-1); (M+H)+
Thiamine monophosphate
ME194658
3382778
-
0.657
344.0686
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]
Threonine
ME194659
6288
-
0.905
119.058
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O]
TXB2
ME194660
5283137
-
16.757
370.2332
THROMBOXANE B2 (CAS# 54397-85-2); (M+NA)+
TXB2
ME194661
5283137
-
16.556
370.232
THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (2M+H)...
TMP
ME194663
12803287
-
1.345
322.0558
THYMIDINE (CAS# 50-89-5); (M+NA)+
Thymidine
ME194662
5789
-
2.755
242.0922
THYMINE (CAS# 65-71-4); (M+H)+
Thymine
ME194664
1135
-
1.531
126.0438
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...
Thyrotropin releasing hormone
ME194665
638678
-
1.531
362.171
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+
trans-4-Hydroxyproline
ME194666
5810
-
0.749
131.0581
TRANS-ACONITATE (CAS# 4023-65-8); (M+NA)+
trans-Aconitic acid
ME194667
444212
-
1.263
174.0163
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O]
1,2,3-Propanetricarboxylic acid
ME194668
14925
-
1.114
176.0316
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+NA)+
1,2,3-Propanetricarboxylic acid
ME194669
14925
-
1.02
176.0329
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+
Trimethylamine
ME194670
1146
-
0.781
59.0739
TRYPTOPHAN (CAS# 73-22-3); (M+H)+
Tryptophan
ME194671
6305
-
3.617
204.0903
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+
Tryptophan
ME194672
6305
-
3.616
204.0887
TYRAMINE (CAS# 51-67-2); (M+H)+
Tyramine
ME194673
5610
-
1.482
137.0835
TYROSINE (CAS# 60-18-4); (M+H)+
Tyrosine
ME194674
6057
-
1.329
181.0746
TYROSINE (CAS# 60-18-4); (M+NA)+
Tyrosine
ME194675
6057
-
1.328
181.0735
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+
UDP-N-acetylglucosamine
ME194676
445675
-
1.473
607.0833
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)...
UDP-N-acetylglucosamine
ME194677
445675
-
1.567
607.0834
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+
Uracil-5-carboxylic acid
ME194679
6971263
-
0.972
156.0159
URACIL (CAS# 66-22-8); (M+H)+
Uracil
ME194678
1174
-
0.961
112.0278
URATE (CAS# 69-93-2); (M+H)+
Uric acid
ME194680
1175
-
1.015
168.0292
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (2M+H)+
UMP
ME194683
6030
-
1.008
324.0373
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (2M+NA)+
UMP
ME194684
6030
-
0.724
324.0382
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+H)+
UMP
ME194685
6030
-
0.87
324.0362
URIDINE (CAS# 58-96-8); (M+H)+
Uridine
ME194681
6029
-
1.364
244.0702
URIDINE (CAS# 58-96-8); (M+NA)+
Uridine
ME194682
6029
-
1.353
244.0708
UROCANATE (CAS# 104-98-3); (M+NA)+
Urocanic acid
ME194686
736715
-
1.142
138.0417
URSODIOL (CAS# 128-13-2); (M+NA)+
Ursodeoxycholic acid
ME194687
31401
-
21.654
392.289
VALINE (CAS# 72-18-4); (M+H)+
Valine
ME194688
6287
-
0.795
117.0797
VALINE (CAS# 72-18-4); (M+NA)+
Valine
ME194689
6287
-
0.85
117.0796
XANTHINE (CAS# 69-89-6); (M+H)+
Xanthine
ME194690
1188
-
1.283
152.0342
XANTHOSINE (CAS# 146-80-5); (M+H)+
Xanthosine
ME194691
64959
-
2.287
284.0763
XANTHOSINE (CAS# 146-80-5); (M+NA)+
Xanthosine
ME194692
64959
-
2.291
284.0771
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+
Xanthurenic acid
ME194693
5699
-
4.632
205.0367
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+
trans-Zeatin
ME194694
449093
-
3.902
219.1125
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