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Return to study ST000768 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
OXALOACETIC ACID (M-H)-[-H2O]
Oxaloacetic acid
ME212924
970
-
0.561
132.0034
LYSINE (M-H)-
Lysine
ME212906
5962
-
0.571
146.1048
ORNITHINE (M-H)-
Ornithine
ME212922
6262
-
0.572
132.0877
LANTHIONINE (M-H)-
Lanthionine
ME212904
102950
-
0.576
208.0482
BETA-ALANINE (M-H)-
beta-Alanine
ME212853
239
-
0.579
89.0478
CYSTATHIONINE (M-H)-
Cystathionine
ME212860
439258
-
0.579
222.066
3-PHOSPHOGLYCERIC ACID (M-H)-
3-Phosphoglyceric acid
ME212832
439183
-
0.58
185.992
ETHANOLAMINE PHOSPHATE (M-H)-
Phosphoethanolamine
ME212874
1015
-
0.581
141.0185
ASPARTIC ACID (M-H)-
Aspartic acid
ME212850
5960
-
0.601
133.0376
SERINE (M-H)-
Serine
ME212939
617
-
0.604
105.0424
GLUTAMIC ACID (M-H)-
Glutamic acid
ME212885
33032
-
0.606
147.0538
L-HISTIDINE (M-H)-
Histidine
ME212901
6274
-
0.625
155.0689
3-SULFINO-L-ALANINE (M-H)-
3-Sulfino-alanine
ME212833
109
-
0.63
153.0096
CMP (M-H)-
CMP
ME212858
6131
-
0.63
323.0582
L-ARGININE (M-H)-
Arginine
ME212899
6322
-
0.637
174.1105
RAFFINOSE (M+CL)-
Raffinose
ME212935
439242
-
0.638
504.1693
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+CL)-
CDP-choline
ME212862
13804
-
0.641
488.1121
L-CARNITINE (M+CL)-
Carnitine
ME212900
10917
-
0.645
161.1035
STACHYOSE (M+CL)-
Stachyose
ME212940
439531
-
0.647
666.2119
GLUCOSE (M+CL)-
Glucose
ME212883
5793
-
0.65
180.0634
STACHYOSE (M-H)-
Stachyose
ME212941
439531
-
0.651
666.2183
GLUCONIC ACID (M-H)-
Gluconic acid
ME212882
10690
-
0.654
196.0569
GLUCURONIC ACID (M-H)-
Glucuronic acid
ME212884
94715
-
0.665
194.0401
RIBITOL (M+CL)-
Ribitol
ME212937
94154
-
0.666
152.0677
ADENOSINE 5'-PHOSPHOSULFATE (M-H)-
Adenosine phosphosulfate
ME212846
10238
-
0.672
427.0265
DIHYDROXYFUMARIC ACID (M-H)-
(E)-2,3-Dihydroxybut-2-enedioic acid
ME212870
54678503
-
0.68
148.0005
OXALIC ACID (M-H)-
Oxalic acid
ME212923
971
-
0.68
89.9955
SUCROSE (M+CL)-
Sucrose
ME212944
5988
-
0.687
342.1163
PYRUVIC ACID (M-H)-
Pyruvic acid
ME212934
1060
-
0.695
88.0163
5-AMINOPENTANOIC ACID (M-H)-
5-Aminopentanoic acid
ME212838
138
-
0.708
117.078
N-ACETYLNEURAMINIC ACID (M-H)-
N-Acetylneuraminic acid
ME212918
444885
-
0.709
309.1032
DEHYDROASCORBIC ACID (M+CL)-
Dehydroascorbic acid
ME212864
440667
-
0.715
174.0184
ISOCITRIC ACID (M-H)-
Isocitric acid
ME212896
5318532
-
0.715
192.0262
D-GLUCOSE 6-PHOSPHATE (M-H)-
Glucose 6-phosphate
ME212863
5958
-
0.718
260.0279
GLYCEROL 2-PHOSPHATE (M-H)-
sn-Glycero-2-phosphate
ME212888
2526
-
0.73
172.017
N-METHYL-GLUTAMIC ACID (M-H)-
N-Methyl-glutamic acid
ME212919
439377
-
0.749
161.0664
CYTIDINE (M+CL)-
Cytidine
ME212861
6175
-
0.755
243.0849
N-ACETYL-DL-SERINE (M-H)-
N-Acetylserine
ME212915
65249
-
0.818
147.0505
MALIC ACID (M-H)-
Malic acid
ME212908
222656
-
0.82
134.0211
MALIC ACID (M-H)+[-H2O]
Malic acid
ME212907
222656
-
0.827
134.0222
GAMMA-L-GLUTAMYL-L-CYSTEINE (M-H)-
gamma-Glutamylcysteine
ME212878
123938
-
0.838
250.061
URIDINE-5-MONOPHOSPHATE (M-H)-
UMP
ME212955
6030
-
0.865
324.0371
VALINE (M-H)-
Valine
ME212956
6287
-
0.87
117.0778
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-
UDP-N-acetylgalactosamine
ME212951
23724461
-
0.92
607.0818
ADENOSINE 5'-MONOPHOSPHATE (2M-H)+
AMP
ME212844
6083
-
0.938
347.0564
ADENOSINE 5'-MONOPHOSPHATE (M-H)-
AMP
ME212845
6083
-
0.939
347.0627
GDPMANNOSE (M-H)-
GDP-mannose
ME212880
18396
-
0.941
605.0729
BIS-GAMMA-GLUTAMYLCYSTINE (M-H)-
Bis-gamma-glutamylcystine
ME212854
90657696
-
0.96
498.1048
METHIONINE (M-H)-
Methionine
ME212909
6137
-
0.96
149.0501
GUANINE (M-H)-
Guanine
ME212889
764
-
0.964
151.0478
GUANOSINE 5'-PHOSPHATE (M-H)-
GMP
ME212890
6804
-
0.97
363.0521
INOSINE 5'-PHOSPHATE (M-H)-
IMP
ME212895
8582
-
0.972
348.0413
N-ACETYL-ASPARTIC ACID (M-H)-
N-Acetylaspartic acid
ME212914
65065
-
0.988
175.0478
DEOXYCYTIDINE (M+CL)-
Deoxycytidine
ME212867
13711
-
1.015
227.0863
NAD (M-H)-
NAD
ME212920
5893
-
1.023
663.1102
CITRIC ACID (M-H)-
Citric acid
ME212857
311
-
1.036
192.0266
HYPOXANTHINE (M-H)-
Hypoxanthine
ME212893
790
-
1.098
136.0378
PYRIDOXINE (M-H)-
Pyridoxine
ME212933
1054
-
1.119
169.073
5-OXOPROLINE (M-H)-
Pyroglutamic acid
ME212841
7405
-
1.221
129.0422
UDP-GLUCOSE (M-H)-
UDP-glucose
ME212950
53477679
-
1.244
566.0556
PROPENOIC ACID (M-H)-
Propenoic acid
ME212931
6581
-
1.273
72.0218
FUMARIC ACID (2M-H)-
Fumaric acid
ME212876
444972
-
1.276
116.0111
FUMARIC ACID (M-H)-
Fumaric acid
ME212877
444972
-
1.278
116.0108
TRICARBALLYLIC ACID (M-H)-
1,2,3-Propanetricarboxylic acid
ME212947
14925
-
1.279
176.032
UDP-N-ACETYL-D-GLUCOSAMINE (M-H)-
UDP-N-acetylglucosamine
ME212952
445675
-
1.279
607.082
GDPGLUCOSE (M-H)-
GDP-glucose
ME212879
644106
-
1.294
605.0758
ADENOSINE 5'-MONOPHOSPHATE #2 (M-H)-
AMP
ME212843
6083
-
1.308
347.0659
TYROSINE (M-H)-
Tyrosine
ME212949
6057
-
1.331
181.0735
URIDINE (M+CL)-
Uridine
ME212953
6029
-
1.34
244.0694
N-ACETYL--GLUTAMIC ACID (M-H)-
N-Acetylglutamic acid
ME212913
185
-
1.341
189.0631
SUCCINIC ACID (M-H)-
Succinic acid
ME212943
1110
-
1.35
118.0265
PYRIDOXAL PHOSPHATE (M-H)-
Pyridoxal 5'-phosphate
ME212932
1051
-
1.365
247.0275
URIDINE (M-H)-
Uridine
ME212954
6029
-
1.381
244.0689
GLUTATHIONE (OXIDIZED) (M-H)-
Glutathione
ME212887
65359
-
1.403
612.1525
CITRAMALIC ACID (M-H)-
Citramalic acid
ME212856
441696
-
1.444
148.0368
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-
S-Adenosylhomocysteine
ME212938
439155
-
1.537
384.1196
N-ACETYL-L-ALANINE (M-H)-
N-Acetylalanine
ME212916
88064
-
1.54
131.057
ISOLEUCINE (M-H)-
Isoleucine
ME212897
6306
-
1.549
131.0944
THYMIDINE 5'-MONOPHOSPHATE (M-H)-
TMP
ME212946
12803287
-
1.566
322.0625
CORTISOL 21-ACETIC ACID (M+CL)-
Cortisol 21-acetate
ME212859
5744
-
15.878
404.225
DEOXYURIDINE (M+CL)-
Deoxyuridine
ME212868
13712
-
1.596
228.0761
MEVALONIC ACID (M-H)-
Mevalonic acid
ME212910
439230
-
1.632
148.0711
5-HYDROXYTRYPTOPHAN (M-H)-
5-Hydroxy-tryptophan
ME212840
439280
-
1.822
220.0834
ADENOSINE (M+CL)-
Adenosine
ME212842
60961
-
1.848
267.0934
INOSINE (M-H)-
Inosine
ME212894
6021
-
1.875
268.0811
4-PYRIDOXIC ACID (M-H)-
4-Pyridoxic acid
ME212836
6723
-
1.92
183.0525
EPIBRASSINOLIDE [ISTD] (M+CL)-
24-epi-Brassinolide
ME212872
115196
-
20.025
480.3457
GLUTARIC ACID (M-H)-
Glutaric acid
ME212886
743
-
2.124
132.042
DEOXYCHOLIC ACID (M+CL)-
Deoxycholic acid
ME212865
222528
-
21.765
392.2953
DEOXYCHOLIC ACID (M-H)-
Deoxycholic acid
ME212866
222528
-
21.79
392.2922
LAURIC ACID (M-H)-
Lauric acid
ME212905
3893
-
21.843
200.1773
MYRISTOLEIC ACID (M-H)-
Myristoleic acid
ME212912
5281119
-
22.127
226.193
16:0 LYSO PC (M+CL)-
LPC 16:0
ME212827
460602
-
22.279
495.3338
KYNURENINE (M-H)-
Kynurenine
ME212898
161166
-
2.231
208.0834
RETINOIC ACID (M-H)-
Retinoic acid
ME212936
444795
-
22.334
300.2101
MYRISTIC ACID (M-H)-
Myristic acid
ME212911
11005
-
22.501
228.2088
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME212926
445638
-
22.637
254.2248
18:0 LYSO-PE (M-H)-
LPE 18:0
ME212829
9547068
-
22.702
481.3181
DOCOSAHEXAENOIC ACID (M-H)-
Docosahexaenoic acid
ME212871
445580
-
22.726
328.2408
ARACHIDONIC ACID (M-H)-
Arachidonic acid
ME212849
444899
-
22.743
304.2402
HYODEOXYCHOLIC ACID (M-H)-
Hyodeoxycholic acid
ME212892
5283820
-
22.873
392.2955
PALMITIC ACID (M-H)-
Palmitic acid
ME212925
985
-
22.885
256.2404
OLEIC ACID (M-H)-
Oleic acid
ME212921
445639
-
22.966
282.2561
HEPTADECANOIC ACID (M-H)-
Margaric acid
ME212891
10465
-
23.029
270.2555
STEARIC ACID (M-H)-
Stearic acid
ME212942
5281
-
23.242
284.2717
GERANYLGERANYL DIPHOSPHATE (M-H)-
Geranylgeranyl diphosphate
ME212881
447277
-
23.27
450.187
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME212855
5282768
-
23.314
310.2873
PHYTANIC ACID (M-H)-
Phytanic acid
ME212930
10380830
-
23.324
312.3014
ARACHIDIC ACID (M-H)-
Arachidic acid
ME212848
10467
-
23.674
312.3028
ERUCIC ACID (M-H)-
cis-Erucic acid
ME212873
5281116
-
23.74
338.3179
BEHENIC ACID (M-H)-
Behenic acid
ME212851
8215
-
24.216
340.334
16:0-18:0 PC (M+CL)-
PC 16:0_18:0
ME212828
18631368
-
25.553
761.5975
PHENYLALANINE (M-H)-
Phenylalanine
ME212929
6140
-
2.567
165.0786
THYMIDINE (M+CL)-
Thymidine
ME212945
5789
-
2.832
242.0901
PANTOTHENIC ACID (M-H)-
Pantothenic acid
ME212928
6613
-
3.227
219.1109
PANTOTHENIC ACID (M+CL)-
Pantothenic acid
ME212927
6613
-
3.345
219.1105
ADIPIC ACID (M-H)-
Adipic acid
ME212847
196
-
3.675
146.0583
TRYPTOPHAN (M-H)-
Tryptophan
ME212948
6305
-
3.683
204.0861
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME212902
16217285
-
3.684
206.0841
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-
Hydroxyphenyllactic acid
ME212830
440177
-
3.8
182.0573
DEPHOSPHO-COA (M-H)-
3'-Dephospho-CoA
ME212869
444485
-
3.83
687.1489
ZEATIN [ISTD] (M+CL)-
trans-Zeatin
ME212957
449093
-
3.954
219.1117
ZEATIN [ISTD] (M-H)-
trans-Zeatin
ME212958
449093
-
3.956
219.1116
5-HYDROXYINDOLEACETIC ACID (M-H)-
5-Hydroxyindoleacetic acid
ME212839
1826
-
4.172
191.0607
3-METHYL-2-OXOPENTANOIC ACID (M-H)-
3-Methyl-2-oxovaleric acid
ME212831
440877
-
4.482
130.0629
5'-METHYLTHIOADENOSINE (M+CL)-
5'-Methylthioadenosine
ME212837
439176
-
4.573
297.0891
4-METHYL-2-OXOPENTANOIC ACID (M-H)-
Ketoleucine
ME212834
70
-
4.894
130.0629
BENZOIC ACID (M-H)-
Benzoic acid
ME212852
243
-
5.045
122.0367
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
2-Aminobenzoic acid
ME212903
227
-
5.458
138.0444
FLAVIN ADENINE DINUCLEOTIDE (M-H)-
FAD
ME212875
643975
-
6.279
785.1575
4-NITROPHENOL (M-H)-
4-Nitrophenol
ME212835
980
-
7.177
139.027
N-ACETYL-L-LEUCINE (M-H)-
N-Acetylleucine
ME212917
75619
-
7.307
173.105
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
SPERMINE (M+H)+
Spermine
ME213130
1103
-
0.494
202.2159
SPERMIDINE (M+H)+
Spermidine
ME213128
1102
-
0.512
145.1575
LYSINE (M+H)+
Lysine
ME213072
5962
-
0.535
146.1055
ORNITHINE (M+H)+
Ornithine
ME213104
6262
-
0.54
132.0897
SPERMIDINE (M+NA)+
Spermidine
ME213129
1102
-
0.547
145.1584
MANNOSE-6-PHOSPHATE (M+H)+[-H2O]
Mannose 6-phosphate
ME213074
439198
-
0.566
260.029
LANTHIONINE (M+H)+
Lanthionine
ME213070
102950
-
0.572
208.048
LYSINE (M+NA)+
Lysine
ME213073
5962
-
0.573
146.1054
MANNOSE-6-PHOSPHATE (M+NA)+
Mannose 6-phosphate
ME213075
439198
-
0.573
260.0279
CYSTATHIONINE (M+NA)+
Cystathionine
ME213013
439258
-
0.579
222.0665
ASPARTIC ACID (M+H)+
Aspartic acid
ME212991
5960
-
0.581
133.0376
ASPARTIC ACID (M+NA)+
Aspartic acid
ME212992
5960
-
0.581
133.0373
N-METHYL-ASPARTIC ACID (M+NA)+
N-Methyl-D-aspartic acid
ME213092
4376
-
0.59
147.054
CHOLINE PHOSPHATE (M+NA)+
Choline phosphate
ME213008
1014
-
0.594
183.0641
CHOLINE PHOSPHATE (M+H)+
Choline phosphate
ME213007
1014
-
0.605
183.065
L-ARGININE (M+H)+
Arginine
ME213066
6322
-
0.606
174.1089
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+
Phosphoethanolamine
ME212968
1015
-
0.608
141.0195
GLUTAMIC ACID (M+H)+
Glutamic acid
ME213044
33032
-
0.608
147.0527
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+
Phosphoethanolamine
ME212969
1015
-
0.61
141.0199
L-ALLOTHREONINE (M+H)+[-H2O]
Allothreonine
ME213065
99289
-
0.61
119.0577
CYSTATHIONINE (M+H)+
Cystathionine
ME213012
439258
-
0.617
222.0633
GLUTAMIC ACID (M+H)+[-H2O]
Glutamic acid
ME213045
33032
-
0.619
147.0527
L-HISTIDINE (M+H)+
Histidine
ME213067
6274
-
0.624
155.0683
N(PAI)-METHYL-L-HISTIDINE (M+H)+
3-Methylhistidine
ME213078
64969
-
0.627
169.0833
GLUCOSE (2M+NA)+
Glucose
ME213042
5793
-
0.631
180.0617
CARNITINE (M+H)+
Carnitine
ME213002
10917
-
0.635
161.1042
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+H)+
CDP-choline
ME213015
13804
-
0.638
488.1041
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
sn-Glycero-3-phosphocholine
ME213127
439285
-
0.639
257.1011
CMP (M+H)+
CMP
ME213010
6131
-
0.646
323.053
GLUCOSE (M+NA)+
Glucose
ME213043
5793
-
0.647
180.0625
STACHYOSE (M+NA)+
Stachyose
ME213133
439531
-
0.648
666.2131
D-GLUCOSAMINE (M+H)+
Glucosamine
ME213019
439213
-
0.65
179.0768
ERYTHRITOL (M+NA)+
Erythritol
ME213030
222285
-
0.653
122.0574
CHOLINE M+
Choline
ME213006
305
-
0.654
104.1064
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+
CDP-choline
ME213016
13804
-
0.655
488.1094
STACHYOSE (M+K)+
Stachyose
ME213132
439531
-
0.656
666.2205
PUTRESCINE (M+H)+
Putrescine
ME213116
1045
-
0.657
88.0986
1-METHYLNICOTINAMIDE M+
1-Methyl nicotinamide
ME212960
457
-
0.664
137.0699
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+NA)+
CDP-choline
ME213017
13804
-
0.665
488.108
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+
-
ME213109
83228
-
0.669
162.1032
CREATINE (M+H)+
Creatine
ME213011
586
-
0.671
131.068
PROLINE (M+NA)+
Proline
ME213111
145742
-
0.671
115.0627
SUCROSE (M+NA)+
Sucrose
ME213135
5988
-
0.671
342.1165
N-ACETYL-D-MANNOSAMINE (M+NA)+
N-Acetyl-mannosamine
ME213082
53477792
-
0.672
221.0914
PROLINE (M+H)+
Proline
ME213110
145742
-
0.679
115.0626
2-DEOXY-D-GLUCOSE (M+NA)+
2-Deoxy-glucose
ME212970
439268
-
0.68
164.0688
3-DEHYDROXYCARNITINE (M+H)+
3-Dehydroxycarnitine
ME212972
725
-
0.681
145.1087
SARCOSINE (M+H)+
Sarcosine
ME213125
1088
-
0.685
89.0465
THIAMIN M+[-C6H9NOS]
Thiamine
ME213137
1130
-
0.686
265.1109
S-ADENOSYLMETHIONINE (M+H)+
S-Adenosylmethionine
ME213124
34755
-
0.688
398.1374
THIAMIN M+
Thiamine
ME213136
1130
-
0.688
265.1117
N-ACETYLGALACTOSAMINE (M+H)+
N-Acetylgalactosamine
ME213089
35717
-
0.69
221.0887
N-ACETYLPUTRESCINE (M+H)+
N-Acetylputrescine
ME213090
122356
-
0.694
130.1091
N-ALPHA-ACETYL-L-LYSINE (M+H)+
N(2)-Acetyllysine
ME213091
92907
-
0.697
188.1133
CYSTINE (M+NA)+
Cystine
ME213014
6857538
-
0.707
240.0274
CYTOSINE (M+NA)+
Cytosine
ME213018
597
-
0.71
111.044
5-AMINOPENTANOIC ACID (M+H)+
5-Aminopentanoic acid
ME212977
138
-
0.72
117.0777
PHOSPHOCREATINE (M+H)+
Phosphocreatine
ME213108
9548602
-
0.722
211.0338
ETHANOLAMINE (M+NA)+
Ethanolamine
ME213032
700
-
0.724
61.0539
RAFFINOSE (M+K)+
Raffinose
ME213122
439242
-
0.731
504.1679
N-ACETYL-DL-SERINE (M+H)+
N-Acetylserine
ME213084
65249
-
0.765
147.054
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME213085
65249
-
0.815
147.0524
ETHANOLAMINE PHOSPHATE (M+H)+
Phosphoethanolamine
ME213033
1015
-
0.839
141.0183
OCTOPAMINE (M+H)+[-H2O]
Octopamine
ME213098
440266
-
0.839
153.0765
URIDINE-5-MONOPHOSPHATE (M+H)+
UMP
ME213149
6030
-
0.857
324.0364
VALINE (M+NA)+
Valine
ME213152
6287
-
0.873
117.0774
VALINE (M+H)+
Valine
ME213151
6287
-
0.891
117.0791
THREONINE (M+H)+[-H2O]
Threonine
ME213138
6288
-
0.894
119.0579
DEOXYCYTIDINE (M+NA)+
Deoxycytidine
ME213021
13711
-
0.922
227.0908
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+
gamma-Glutamylcysteine
ME213037
123938
-
0.927
250.0624
ADENOSINE 5'-DIPHOSPHATE (M+H)+
ADP
ME212986
6022
-
0.929
427.0301
ACETYLCARNITINE (M+H)+
CAR 2:0
ME212983
18230
-
0.932
203.1155
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+
UDP-N-acetylgalactosamine
ME213146
23724461
-
0.932
607.0787
GDPMANNOSE (M+H)+
GDP-mannose
ME213041
18396
-
0.936
605.0702
GUANINE (M+H)+
Guanine
ME213053
764
-
0.939
151.0467
UROCANIC ACID (M+H)+
Urocanic acid
ME213150
736715
-
0.944
138.0436
ADENOSINE 5'-MONOPHOSPHATE (M+H)+
AMP
ME212988
6083
-
0.945
347.0632
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+
1-Aminocyclopropanecarboxylic acid
ME212959
535
-
0.949
101.0472
PYRIDOXAL (M+H)+
Pyridoxal
ME213119
1050
-
0.955
167.058
DEOXYCYTIDINE (M+H)+
Deoxycytidine
ME213020
13711
-
0.957
227.0872
GUANOSINE 5'-PHOSPHATE (M+H)+
GMP
ME213055
6804
-
0.976
363.0592
METHIONINE (M+H)+
Methionine
ME213076
6137
-
0.987
149.0507
N-ACETYL-ASPARTIC ACID (M+NA)+
N-Acetylaspartic acid
ME213081
65065
-
0.987
175.046
INOSINE 5'-PHOSPHATE (M+H)+
IMP
ME213060
8582
-
0.989
348.0465
N-ACETYL-ASPARTIC ACID (M+H)+
N-Acetylaspartic acid
ME213079
65065
-
0.99
175.0478
SERINE (M+H)+
Serine
ME213126
617
-
0.99
105.0418
N-ACETYL-ASPARTIC ACID (M+H)+[-H2O]
N-Acetylaspartic acid
ME213080
65065
-
0.992
175.0467
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O]
gamma-Glutamylcysteine
ME213038
123938
-
0.993
250.0634
BIS-GAMMA-GLUTAMYLCYSTINE (M+H)+
Bis-gamma-glutamylcystine
ME212997
90657696
-
1.01
498.104
NAD (M+H)+
NAD
ME213094
5893
-
1.018
663.11
NAD (M+2H)+2
NAD
ME213093
5893
-
1.03
663.1098
NAD (M+NA)+
NAD
ME213095
5893
-
1.031
663.1081
CITRIC ACID (M+NA)+
Citric acid
ME213009
311
-
1.052
192.0272
AZELAIC ACID (M+NA)+
Azelaic acid
ME212993
2266
-
10.816
188.108
HYPOXANTHINE (M+H)+
Hypoxanthine
ME213056
790
-
1.105
136.0388
HYPOXANTHINE (M+NA)+
Hypoxanthine
ME213057
790
-
1.11
136.0377
PYRIDOXINE (M+H)+
Pyridoxine
ME213121
1054
-
1.118
169.074
NICOTINAMIDE (M+H)+
Niacinamide
ME213096
936
-
1.125
122.0479
UDP-N-ACETYL-D-GLUCOSAMINE (M+H)+
UDP-N-acetylglucosamine
ME213147
445675
-
1.213
607.0807
5-OXOPROLINE (M+H)+
Pyroglutamic acid
ME212982
7405
-
1.226
129.0435
NICOTINE (M+H)+
Nicotine
ME213097
157672
-
1.232
162.1134
UDP-N-ACETYL-D-GLUCOSAMINE (M+NA)+
UDP-N-acetylglucosamine
ME213148
445675
-
1.232
607.08
GDPGLUCOSE (M+H)+
GDP-glucose
ME213040
644106
-
1.29
605.0738
ADENOSINE 5'-MONOPHOSPHATE #2 (M+H)+
AMP
ME212987
6083
-
1.312
347.0629
TYROSINE (M+NA)+
Tyrosine
ME213145
6057
-
1.332
181.0732
TYROSINE (M+H)+
Tyrosine
ME213144
6057
-
1.335
181.0732
N-ACETYL-GLUTAMIC ACID (M+NA)+
N-Acetylglutamic acid
ME213088
185
-
1.338
189.0627
N-ACETYL-GLUTAMIC ACID (M+H)+[-H2O]
N-Acetylglutamic acid
ME213087
185
-
1.339
189.0633
N-ACETYL-GLUTAMIC ACID (M+H)+
N-Acetylglutamic acid
ME213086
185
-
1.349
189.0639
PYRIDOXAL PHOSPHATE (M+H)+
Pyridoxal 5'-phosphate
ME213120
1051
-
1.378
247.0249
GLUTATHIONE OXIDIZED (M+H2)+2
Glutathione
ME213048
65359
-
1.405
612.154
GLUTATHIONE OXIDIZED (M+H)+
Glutathione
ME213047
65359
-
1.407
612.1523
PURINE (M+H)+
Purine
ME213114
1044
-
1.432
120.0437
PURINE (M+NA)+
Purine
ME213115
1044
-
1.44
120.0433
THYMIDINE 5'-MONOPHOSPHATE (2M+NA)+
TMP
ME213140
12803287
-
1.44
322.0527
THYROTROPIN RELEASING HORMONE (M+NA)+
Thyrotropin releasing hormone
ME213141
638678
-
1.479
362.17
ISOLEUCINE (M+H)+
Isoleucine
ME213061
6306
-
1.537
131.0945
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+
S-Adenosylhomocysteine
ME213123
439155
-
1.539
384.1243
ISOLEUCINE (M+NA)+
Isoleucine
ME213062
6306
-
1.553
131.0933
METHYL JASMONATE (M+NA)+
Methyl jasmonate
ME213077
5281929
-
15.945
224.1412
ESTRONE (M+H)+
Estrone
ME213031
5870
-
16.501
270.1612
PROPIONYLCARNITINE (*) (M+H)+
CAR 3:0
ME213112
107738
-
1.655
217.131
3-HYDROXY-3-METHYLGLUTARIC ACID (M+H)+
3-Hydroxymethylglutaric acid
ME212973
1662
-
1.697
162.0533
3-HYDROXY-3-METHYLGLUTARIC ACID (M+NA)+
3-Hydroxymethylglutaric acid
ME212974
1662
-
1.7
162.0524
OMEGA-HYDROXYDODECANOIC ACID (M+H)+[-H2O]
12-Hydroxy lauric acid
ME213103
79034
-
17.007
216.1729
5-HYDROXYTRYPTOPHAN (M+H)+
5-Hydroxy-tryptophan
ME212980
439280
-
1.822
220.0841
ADENOSINE (M+H)+
Adenosine
ME212985
60961
-
1.833
267.0961
INOSINE (M+NA)+
Inosine
ME213059
6021
-
1.85
268.0816
INOSINE (M+H)+
Inosine
ME213058
6021
-
1.852
268.0858
BILIVERDIN (M+H)+
Biliverdin
ME212994
5280353
-
18.692
582.2487
GUANOSINE (M+H)+
Guanosine
ME213054
6802
-
1.876
283.0928
GLUTARYLCARNITINE (*) (M+H)+
CAR DC5:0
ME213046
53481622
-
1.892
275.1376
GLYCOCHOLIC ACID (2M+NA)+
Glycocholic acid
ME213052
10140
-
18.934
465.3013
EPIBRASSINOLIDE [ISTD] (M+H)+
24-epi-Brassinolide
ME213028
115196
-
20.033
480.3463
EPIBRASSINOLIDE [ISTD] (M+NA)+
24-epi-Brassinolide
ME213029
115196
-
20.034
480.3454
PYRIDOXAL #2 (M+H)+
Pyridoxal
ME213117
1050
-
2.008
167.0578
CHOLIC ACID (2M+NA)+
Cholic acid
ME213005
221493
-
20.204
408.2937
CHOLIC ACID (2M+H)+[-H2O]
Cholic acid
ME213004
221493
-
20.269
408.2837
SPHINGOSINE (M+H)+
Sphingosine
ME213131
5280335
-
20.331
299.2827
PYRIDOXAL #2 (M+H)+[-H2O]
Pyridoxal
ME213118
1050
-
2.105
167.0588
STEAROYLCARNITINE (*) (M+H)+
CAR 18:0
ME213134
52922056
-
21.589
427.3581
GLYCEROL MYRISTATE (M+H)+
MG 14:0
ME213049
79050
-
22.072
302.2412
GLYCEROL MYRISTATE (M+H)+[-H2O]
MG 14:0
ME213050
79050
-
22.099
302.2496
GLYCEROL MYRISTATE (M+NA)+
MG 14:0
ME213051
79050
-
22.186
302.2476
LITHOCHOLIC ACID (M+NA)+
Lithocholic acid
ME213071
9903
-
22.296
376.3003
16:0 LYSO PC (M+NA)+
LPC 16:0
ME212964
460602
-
22.304
495.3337
16:0 LYSO PC (M+H)+
LPC 16:0
ME212963
460602
-
22.311
495.3338
KYNURENINE (M+H)+
Kynurenine
ME213064
161166
-
2.235
208.083
OLEIC ACID (M+NA)+
Oleic acid
ME213099
445639
-
22.519
282.2563
CALCIDIOL (M+H)+[-H2O]
25-Hydroxyvitamin D3
ME213001
5283731
-
22.616
400.3278
OLEOYL-GLYCEROL (M+H)+
MG 18:1
ME213100
5319879
-
22.701
356.2881
OLEOYL-GLYCEROL (M+NA)+
MG 18:1
ME213102
5319879
-
22.708
356.2936
OLEOYL-GLYCEROL (M+H)+[-H2O]
MG 18:1
ME213101
5319879
-
22.712
356.2907
18:0 LYSO-PE (M+H)+
LPE 18:0
ME212967
9547068
-
22.751
481.3169
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]
25-Hydroxycholesterol
ME212971
65094
-
22.774
402.3435
GAMMA-LINOLENIC ACID (M+NA)+
gamma-Linolenic acid
ME213039
5280933
-
22.888
278.2231
PROTOPORPHYRIN (M+H)+
Protoporphyrin
ME213113
4971
-
22.946
562.2637
ELAIDIC ACID (M+H)+
Elaidic acid
ME213027
637517
-
22.966
282.2563
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
bis(2-Ethylhexyl)phthalic acid
ME212996
8343
-
23.134
390.2787
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
bis(2-Ethylhexyl)phthalic acid
ME212995
8343
-
23.138
390.2784
PHENYLALANINE (M+H)+
Phenylalanine
ME213107
6140
-
2.459
165.0773
ALPHA-TOCOPHEROL (M+H)+
alpha-Tocopherol
ME212990
14985
-
24.624
430.3799
CHOLESTEROL (M+H)+[-H2O]
Cholesterol
ME213003
5997
-
24.72
386.3559
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M+H)+
PE 16:0/16:0
ME213025
445468
-
24.78
691.5154
16:0-18:0 PC (M+H)+
PC 16:0_18:0
ME212965
18631368
-
25.549
761.5945
16:0-18:0 PC (M+NA)+
PC 16:0_18:0
ME212966
18631368
-
25.55
761.5971
1-METHYLXANTHINE (M+H)+
1-Methylxanthine
ME212961
80220
-
2.566
166.0481
1-METHYLXANTHINE (M+NA)+
1-Methylxanthine
ME212962
80220
-
2.568
166.0473
ETHYLMALONIC ACID (2M+NA)+[-H2O]
Ethylmalonic acid
ME213034
11756
-
2.8
132.0407
5'-DEOXYADENOSINE (M+H)+
5'-Deoxyadenosine
ME212975
439182
-
2.817
251.1024
THYMIDINE (M+NA)+
Thymidine
ME213139
5789
-
2.823
242.094
BUTYRYLCARNITINE (*) (M+H)+
CAR 4:0
ME212998
213144
-
2.914
231.1466
PANTOTHENIC ACID (M+H)+
Pantothenic acid
ME213105
6613
-
3.196
219.1111
PANTOTHENIC ACID (M+NA)+
Pantothenic acid
ME213106
6613
-
3.248
219.1113
ADIPIC ACID (M+NA)+
Adipic acid
ME212989
196
-
3.606
146.0583
TRYPTOPHAN (M+NA)+
Tryptophan
ME213143
6305
-
3.682
204.087
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME213068
16217285
-
3.687
206.0847
TRYPTOPHAN (M+H)+
Tryptophan
ME213142
6305
-
3.687
204.0865
5-METHYLTETRAHYDROFOLIC ACID (M+H)+
5-Methyl-THF
ME212981
9825434
-
3.749
459.1909
DEPHOSPHO-COA (M+H)+
3'-Dephospho-CoA
ME213023
444485
-
3.755
687.1503
DEPHOSPHO-COA (M+NA)+
3'-Dephospho-CoA
ME213024
444485
-
3.768
687.1477
DEPHOSPHO-COA (M+2H)+2
3'-Dephospho-CoA
ME213022
444485
-
3.84
687.1502
ZEATIN [ISTD] (M+H)+
trans-Zeatin
ME213155
449093
-
3.954
219.1125
ACETYLCHOLINE M+
Acetylcholine
ME212984
187
-
3.965
146.118
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]
N-Acetylmethionine
ME213083
448580
-
4.099
191.0611
5-HYDROXYINDOLEACETIC ACID (M+H)+
5-Hydroxyindoleacetic acid
ME212978
1826
-
4.175
191.0618
5-HYDROXYINDOLEACETIC ACID (M+NA)+
5-Hydroxyindoleacetic acid
ME212979
1826
-
4.176
191.0614
5'-METHYLTHIOADENOSINE (M+H)+
5'-Methylthioadenosine
ME212976
439176
-
4.572
297.0904
ISOVALERYLCARNITINE (*) (M+H)+
CAR 4:0;3Me
ME213063
169235
-
4.585
245.163
L-[15N]ANTHRANILIC ACID [ISTD] (M+H)+
2-Aminobenzoic acid
ME213069
227
-
5.317
138.0474
CAFFEINE (M+H)+
Caffeine
ME212999
2519
-
5.766
194.084
CAFFEINE (M+NA)+
Caffeine
ME213000
2519
-
5.79
194.0824
DOXYLAMINE (M+H)+
Doxylamine
ME213026
3162
-
5.969
270.1712
FLAVIN ADENINE DINUCLEOTIDE (M+H)+
FAD
ME213035
643975
-
6.275
785.1571
FLAVIN ADENINE DINUCLEOTIDE (M+NA)+
FAD
ME213036
643975
-
6.287
785.1554
VITAMIN B12 (M+2H)+2
Vitamin B12
ME213153
118701016
-
6.928
1354.5659
VITAMIN B12 (M+2NA)+2
Vitamin B12
ME213154
118701016
-
6.935
1354.569
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