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Return to study ST000751 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
LYSINE (M-H)-
Lysine
ME208070
5962
-
0.536
146.1051
CYTIDINE 5'-DIPHOSPHOCHOLINE (2M-H)-
CDP-choline
ME208000
13804
-
0.562
488.1168
OXALOACETIC ACID (M-H)-[-H2O]
Oxaloacetic acid
ME208104
970
-
0.564
132.0035
L-HISTIDINE (M-H)-
Histidine
ME208064
6274
-
0.593
155.0687
ASPARAGINE (M-H)-
Asparagine
ME207977
6267
-
0.601
132.0528
GLUTAMINE (M-H)-
Glutamine
ME208034
5961
-
0.602
146.0698
SERINE (M-H)-
Serine
ME208127
617
-
0.605
105.0409
L-ARGININE (M-H)-
Arginine
ME208061
6322
-
0.61
174.1126
TAURINE (M-H)-
Taurine
ME208135
1123
-
0.612
125.015
HOMOSERINE (M-H)-
Homoserine
ME208048
12647
-
0.621
119.0582
ASPARTIC ACID (M-H)-
Aspartic acid
ME207978
5960
-
0.622
133.0369
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-
sn-Glycero-3-phosphocholine
ME208128
439285
-
0.626
257.1003
CITRULLINE (M-H)-
Citrulline
ME207994
9750
-
0.629
175.0956
GLUCURONIC ACID (M-H)-
Glucuronic acid
ME208032
94715
-
0.635
194.0411
OXALIC ACID (M-H)-
Oxalic acid
ME208103
971
-
0.637
89.9962
GLUTAMIC ACID (M-H)-
Glutamic acid
ME208033
33032
-
0.639
147.0534
GLUCOSE (M+CL)-
Glucose
ME208031
5793
-
0.64
180.0626
CYSTINE (M-H)-
Cystine
ME207998
6857538
-
0.641
240.0244
RIBITOL (M+CL)-
Ribitol
ME208120
94154
-
0.642
152.0662
GLUCONIC ACID (M-H)-
Gluconic acid
ME208030
10690
-
0.646
196.0575
N-FORMYLGLYCINE (M-H)-
N-Formylglycine
ME208095
75606
-
0.646
103.0257
RIBOSE 5-PHOSPHATE (M-H)-
Ribose 5-phosphate
ME208124
439167
-
0.647
230.0176
D-GLUCOSAMINE 6-SULFATE (M-H)-[-H2O]
Glucosamine 6-sulfate
ME208003
3330962
-
0.648
259.0344
L-CARNITINE (M+CL)-
Carnitine
ME208062
10917
-
0.651
161.1043
ALLANTOIN (M-H)-
Allantoin
ME207972
439714
-
0.655
158.043
N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O]
Guanidinosuccinic acid
ME208094
439918
-
0.656
175.0628
CREATINE (M-H)-
Creatine
ME207997
586
-
0.657
131.0674
RIBOSE (M+CL)-
Ribose
ME208123
5779
-
0.665
150.0505
ADENOSINE 5'-PHOSPHOSULFATE (M-H)-
Adenosine phosphosulfate
ME207969
10238
-
0.671
427.0133
N-ACETYL-D-GLUCOSAMINE (M+CL)-
N-Acetylglucosamine
ME208085
446101
-
0.671
221.0866
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+CL)-
CDP-choline
ME208001
13804
-
0.677
488.1029
SUCROSE (M+CL)-
Sucrose
ME208134
5988
-
0.677
342.1137
GLYOXYLIC ACID (M-H)-
Glyoxylic acid
ME208040
760
-
0.679
74
N-ACETYLNEURAMINIC ACID (M-H)-
N-Acetylneuraminic acid
ME208093
444885
-
0.68
309.1025
GALACTARIC ACID (M-H)-
Galactaric acid
ME208027
3037582
-
0.687
210.0386
CYTIDINE (M+CL)-
Cytidine
ME207999
6175
-
0.688
243.0812
PYRUVIC ACID (M-H)-
Pyruvic acid
ME208117
1060
-
0.688
88.0159
L-FUCOSE 1-PHOSPHATE (2M-H)-
Fucose 1-phosphate
ME208063
439871
-
0.69
244.0322
2-DEOXY-D-GLUCOSE (M+CL)-
2-Deoxy-glucose
ME207943
439268
-
0.692
164.0657
ISOCITRIC ACID (M-H)-
Isocitric acid
ME208057
5318532
-
0.695
192.0242
STACHYOSE (M+CL)-
Stachyose
ME208129
439531
-
0.697
666.2209
RAFFINOSE (M+CL)-
Raffinose
ME208118
439242
-
0.699
504.1644
DIHYDROOROTIC ACID (M-H)-
Dihydroorotic acid
ME208016
1149667
-
0.704
158.0328
D-GLUCOSE 6-PHOSPHATE (M-H)-
Glucose 6-phosphate
ME208004
5958
-
0.707
260.0265
DEHYDROASCORBIC ACID (M-H)-
Dehydroascorbic acid
ME208007
440667
-
0.709
174.0142
DEHYDROASCORBIC ACID (M+CL)-
Dehydroascorbic acid
ME208006
440667
-
0.712
174.0146
D-GLUCOSAMINE (M+CL)-
Glucosamine
ME208002
439213
-
0.727
179.0787
DIHYDROXYFUMARIC ACID (M-H)-
(E)-2,3-Dihydroxybut-2-enedioic acid
ME208017
54678503
-
0.733
147.9998
ETHANOLAMINE PHOSPHATE (M-H)-
Phosphoethanolamine
ME208023
1015
-
0.756
141.0185
INOSINE 5'-DIPHOSPHATE (M-H)-
IDP
ME208055
6831
-
0.764
428.0099
GDPMANNOSE (M-H)-
GDP-mannose
ME208028
18396
-
0.773
605.0741
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)+[-H2O]
UDP-N-acetylgalactosamine
ME208150
23724461
-
0.794
607.076
N-ACETYL-DL-SERINE (M-H)-
N-Acetylserine
ME208088
65249
-
0.803
147.0516
STACHYOSE (M-H)-
Stachyose
ME208130
439531
-
0.809
666.2137
GLYCEROL 2-PHOSPHATE (M-H)-
sn-Glycero-2-phosphate
ME208037
2526
-
0.821
172.0128
MALIC ACID (M-H)+[-H2O]
Malic acid
ME208074
222656
-
0.822
134.0215
MALONIC ACID (M-H)-
Malonic acid
ME208076
867
-
0.841
104.0098
MALIC ACID (M-H)-
Malic acid
ME208075
222656
-
0.843
134.0207
OROTIC ACID (M-H)-
Orotic acid
ME208102
967
-
0.852
156.0153
METHIONINE (M-H)-
Methionine
ME208078
6137
-
0.855
149.0484
URIDINE-5-MONOPHOSPHATE (M-H)-
UMP
ME208158
6030
-
0.856
324.034
VALINE (M-H)-
Valine
ME208160
6287
-
0.856
117.0767
ADP-RIBOSE (M-H)-
ADP-ribose
ME207971
33576
-
0.863
559.0666
GUANINE (M-H)-
Guanine
ME208041
764
-
0.878
151.0469
3-UREIDOPROPIONIC ACID (M-H)-
Ureidopropionic acid
ME207955
111
-
0.893
132.0518
METHYL BETA-D-GALACTOSIDE (M+CL)-
Methyl beta-D-galactoside
ME208079
94214
-
0.894
194.0773
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-
UDP-N-acetylgalactosamine
ME208151
23724461
-
0.908
607.0808
N-ACETYLGLYCINE (M-H)-
N-Acetylglycine
ME208092
1097
-
0.918
117.0408
UROCANIC ACID (M-H)-
Urocanic acid
ME208159
736715
-
0.933
138.042
ADENOSINE 5'-MONOPHOSPHATE (M-H)-
AMP
ME207968
6083
-
0.935
347.0609
ADENOSINE 5'-MONOPHOSPHATE (2M-H)+
AMP
ME207967
6083
-
0.936
347.0687
URACIL (M-H)-
Uracil
ME208153
1174
-
0.939
112.0272
BIS-GAMMA-GLUTAMYLCYSTINE (M-H)-
Bis-gamma-glutamylcystine
ME207985
90657696
-
0.961
498.1037
O-SUCCINYL-L-HOMOSERINE (M-H)-
o-Succinylhomoserine
ME208099
439406
-
0.97
219.073
GUANOSINE 5'-PHOSPHATE (M-H)-
GMP
ME208044
6804
-
0.979
363.0543
N-ACETYL-ASPARTIC ACID (M-H)-
N-Acetylaspartic acid
ME208084
65065
-
0.979
175.0469
DUMP (M-H)-
dUMP
ME208020
65063
-
0.984
308.046
INOSINE 5'-PHOSPHATE (M-H)-
IMP
ME208056
8582
-
0.985
348.0471
NAD (M-H)-
NAD
ME208096
5893
-
1.002
663.1075
URIC ACID (M-H)-
Uric acid
ME208155
1175
-
1.005
168.0278
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M-H)-
Nicotinamide purin-6-ol-dinucleotide
ME208098
440334
-
1.009
664.083
CAPRYLIC ACID (M-H)-
Caprylic acid
ME207987
379
-
10.167
144.1146
XANTHOSINE 5'-PHOSPHATE (M-H)-
XMP
ME208163
73323
-
1.028
364.0451
CITRIC ACID (M-H)-
Citric acid
ME207993
311
-
1.039
192.0256
AZELAIC ACID (M-H)-
Azelaic acid
ME207979
2266
-
10.857
188.1044
HYPOXANTHINE (M-H)-
Hypoxanthine
ME208052
790
-
1.096
136.0381
MALEIC ACID (M-H)-
Maleic acid
ME208073
444266
-
1.11
116.011
DGDP (M-H)-
dGDP
ME208014
439220
-
1.143
427.0236
UDP-GLUCOSE (M-H)-
UDP-glucose
ME208149
53477679
-
1.196
566.0555
3-HYDROXYKYNURENINE (M-H)-
Hydroxykynurenine
ME207953
11811
-
1.199
224.0801
5-OXOPROLINE (M-H)-
Pyroglutamic acid
ME207966
7405
-
1.2
129.0419
UDP-N-ACETYL-D-GLUCOSAMINE (M-H)-
UDP-N-acetylglucosamine
ME208152
445675
-
1.208
607.0814
TRANS-ACONITIC ACID (M-H)-
trans-Aconitic acid
ME208141
444212
-
1.21
174.0165
PROPENOIC ACID (M-H)-
Propenoic acid
ME208114
6581
-
1.247
72.0217
FUMARIC ACID (M-H)-
Fumaric acid
ME208026
444972
-
1.254
116.0108
FUMARIC ACID (2M-H)-
Fumaric acid
ME208025
444972
-
1.26
116.011
URACIL 5-CARBOXYLIC ACID (M-H)-
Uracil-5-carboxylic acid
ME208154
6971263
-
1.266
156.019
CITRAMALIC ACID (M-H)-
Citramalic acid
ME207992
441696
-
1.277
148.0368
TRICARBALLYLIC ACID (M-H)-
1,2,3-Propanetricarboxylic acid
ME208142
14925
-
1.277
176.0301
XANTHINE (M-H)-
Xanthine
ME208161
1188
-
1.282
152.0332
SEBACIC ACID (M-H)-
Sebacic acid
ME208126
5192
-
12.852
202.1198
SUCCINIC ACID (M-H)-
Succinic acid
ME208133
1110
-
1.328
118.0267
TYROSINE (M-H)-
Tyrosine
ME208148
6057
-
1.349
181.0731
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-
S-Adenosylhomocysteine
ME208125
439155
-
1.355
384.1271
URIDINE (M+CL)-
Uridine
ME208156
6029
-
1.365
244.0691
URIDINE (M-H)-
Uridine
ME208157
6029
-
1.371
244.0689
GLUTATHIONE (OXIDIZED) (M-H)-
Glutathione
ME208036
65359
-
1.385
612.1512
TRICARBALLYLIC ACID (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME208143
14925
-
1.385
176.0291
GERANYL DIPHOSPHATE (M-H)-
Geranyl diphosphate
ME208029
445995
-
14.209
314.0726
PURINE (M-H)-
Purine
ME208116
1044
-
1.469
120.0428
N-ACETYL-L-ALANINE (M-H)-
N-Acetylalanine
ME208089
88064
-
1.514
131.0577
DEHYDROEPIANDROSTERONE SULFATE (M-H)-
Dehydroepiandrosterone sulfate
ME208008
12594
-
15.278
368.1696
METHYLMALONIC ACID (M-H)-
Methylmalonic acid
ME208080
487
-
1.529
118.0264
CORTICOSTERONE (M+CL)-
Corticosterone
ME207995
5753
-
15.528
346.2142
MEVALONIC ACID (M-H)-
Mevalonic acid
ME208081
439230
-
1.556
148.0712
THYMIDINE 5'-MONOPHOSPHATE (M-H)-
TMP
ME208139
12803287
-
1.569
322.0585
CORTISOL 21-ACETIC ACID (M+CL)-
Cortisol 21-acetate
ME207996
5744
-
15.786
404.2243
ISOLEUCINE (M-H)-
Isoleucine
ME208058
6306
-
1.624
131.0939
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-
3-Hydroxymethylglutaric acid
ME207952
1662
-
1.647
162.052
DEOXYURIDINE (M+CL)-
Deoxyuridine
ME208012
13712
-
1.669
228.0741
DEOXYURIDINE (M-H)-
Deoxyuridine
ME208013
13712
-
1.692
228.0733
THYMINE (M-H)-
Thymine
ME208140
1135
-
1.713
126.0419
OMEGA-HYDROXYDODECANOIC ACID (M-H)-
12-Hydroxy lauric acid
ME208101
79034
-
17.143
216.1717
2-HYDROXYBUTYRIC ACID (M-H)-
2-Hydroxybutyric acid
ME207946
11266
-
1.742
104.0471
5-HYDROXYTRYPTOPHAN (M-H)-
5-Hydroxy-tryptophan
ME207964
439280
-
1.794
220.0828
GUANOSINE (M+CL)-
Guanosine
ME208042
6802
-
1.814
283.0928
GUANOSINE (M-H)-
Guanosine
ME208043
6802
-
1.833
283.0912
2-METHYLMALEIC ACID (M-H)-
Citraconic acid
ME207948
643798
-
1.843
130.0261
INOSINE (M+CL)-
Inosine
ME208053
6021
-
1.844
268.0809
INOSINE (M-H)-
Inosine
ME208054
6021
-
1.844
268.0809
BILIVERDIN (M-H)-
Biliverdin
ME207983
5280353
-
18.696
582.2504
DIETHYLSTILBESTROL (M-H)-
Diethylstilbestrol
ME208015
448537
-
18.86
268.1512
GLYCOCHOLIC ACID (M-H)-
Glycocholic acid
ME208039
10140
-
19.012
465.3089
4-PYRIDOXIC ACID (M-H)-
4-Pyridoxic acid
ME207961
6723
-
1.907
183.0523
DEOXYADENOSINE (M+CL)-
Deoxyadenosine
ME208009
13730
-
1.924
251.1028
DECANOIC ACID (M-H)-
Capric acid
ME208005
2969
-
19.952
172.1459
EPIBRASSINOLIDE [ISTD] (M+CL)-
24-epi-Brassinolide
ME208021
115196
-
19.957
480.345
CHOLIC ACID (M+CL)-
Cholic acid
ME207989
221493
-
20.498
408.2868
CHOLIC ACID (M-H)-
Cholic acid
ME207990
221493
-
20.498
408.2874
GLUTARIC ACID (M-H)-
Glutaric acid
ME208035
743
-
2.075
132.0417
ALLOPREGNANOLONE (M+CL)-[-H2O]
3alpha-Hydroxy-5alpha-pregnan-20-one
ME207973
92787
-
20.914
318.2591
2'-DEOXYINOSINE (M+CL)-
Deoxyinosine
ME207941
65058
-
2.096
252.0883
2'-DEOXYINOSINE (M-H)-
Deoxyinosine
ME207942
65058
-
2.101
252.0853
M-HYDROXYMANDELIC ACID (2M-H)-
3-Hydroxymandelic acid
ME208072
86957
-
2.105
168.0419
DEOXYCHOLIC ACID (M-H)-
Deoxycholic acid
ME208011
222528
-
21.766
392.2926
DEOXYCHOLIC ACID (M+CL)-
Deoxycholic acid
ME208010
222528
-
21.772
392.2908
LAURIC ACID (M-H)-
Lauric acid
ME208067
3893
-
21.811
200.1771
GLYCEROL MYRISTATE (M+CL)-
MG 14:0
ME208038
79050
-
22.079
302.2435
TRIDECANOIC ACID (M-H)-
Tridecylic acid
ME208145
12530
-
22.147
214.1922
MYRISTOLEIC ACID (M-H)-
Myristoleic acid
ME208083
5281119
-
22.163
226.1925
16:0 LYSO PC (M+CL)-
LPC 16:0
ME207938
460602
-
22.289
495.334
KYNURENINE (M-H)-
Kynurenine
ME208060
161166
-
2.23
208.0832
RETINOIC ACID (M-H)-
Retinoic acid
ME208119
444795
-
22.339
300.2128
MYRISTIC ACID (M-H)-
Myristic acid
ME208082
11005
-
22.479
228.2086
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME208106
445638
-
22.614
254.2247
18:0 LYSO-PE (M-H)-
LPE 18:0
ME207940
9547068
-
22.69
481.3177
DOCOSAHEXAENOIC ACID (M-H)-
Docosahexaenoic acid
ME208019
445580
-
22.712
328.2406
ARACHIDONIC ACID (M-H)-
Arachidonic acid
ME207976
444899
-
22.731
304.2406
LINOLEIC ACID (M-H)-
Linoleic acid
ME208069
5280450
-
22.747
280.2404
ARACHIDONATE #2 (M-H)-
Arachidonic acid
ME207975
444899
-
22.855
304.2407
HYODEOXYCHOLIC ACID (M-H)-
Hyodeoxycholic acid
ME208051
5283820
-
22.867
392.2953
PALMITIC ACID (M-H)-
Palmitic acid
ME208105
985
-
22.868
256.2405
OLEIC ACID (M-H)-
Oleic acid
ME208100
445639
-
22.949
282.2564
PROTOPORPHYRIN (M-H)-
Protoporphyrin
ME208115
4971
-
22.954
562.2579
HEPTADECANOIC ACID (M-H)-
Margaric acid
ME208045
10465
-
23.034
270.2555
STEARIC ACID (M-H)-
Stearic acid
ME208131
5281
-
23.218
284.2718
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)-
-
ME207986
46891735
-
23.219
643.5007
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME207991
5282768
-
23.294
310.2874
PHYTANIC ACID (M-H)-
Phytanic acid
ME208112
10380830
-
23.303
312.2981
ARACHIDIC ACID (M-H)-
Arachidic acid
ME207974
10467
-
23.646
312.3026
ERUCIC ACID (M-H)-
cis-Erucic acid
ME208022
5281116
-
23.725
338.3184
2-METHYLMALEIC ACID #2 (M-H)-
Citraconic acid
ME207947
643798
-
2.378
130.0265
XANTHOSINE (M-H)-
Xanthosine
ME208162
64959
-
2.38
284.0756
CHOLESTEROL HYDROGEN SULFATE (M-H)-
Cholesterol sulfate
ME207988
65076
-
23.885
466.312
BEHENIC ACID (M-H)-
Behenic acid
ME207980
8215
-
24.185
340.3338
NERVONIC ACID (M-H)-
Nervonic acid
ME208097
5281120
-
24.26
366.3499
TRICOSANOIC ACID (M-H)-
Tricosylic acid
ME208144
17085
-
24.501
354.3491
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)-
PE 16:0/16:0
ME208018
445468
-
24.769
691.5152
LIGNOCERIC ACID (M-H)-
Lignoceric acid
ME208068
11197
-
24.891
368.3649
LYSOPHOSPHATIDIC ACID (M-H)-
-
ME208071
3988
-
25.366
436.2535
PHENYLALANINE (M-H)-
Phenylalanine
ME208109
6140
-
2.553
165.0789
16:0-18:0 PC (M+CL)-
PC 16:0_18:0
ME207939
18631368
-
25.612
761.597
HEXACOSANOIC ACID (M-H)-
Cerotic acid
ME208046
10469
-
25.719
396.3974
3-(4-HYDROXYPHENYL)PYRUVIC ACID (M-H)-
4-Hydroxyphenylpyruvic acid
ME207951
979
-
2.765
180.0439
THYMIDINE (M+CL)-
Thymidine
ME208137
5789
-
2.783
242.09
THYMIDINE (M-H)-
Thymidine
ME208138
5789
-
2.785
242.0894
ETHYLMALONIC ACID (M-H)-
Ethylmalonic acid
ME208024
11756
-
2.85
132.0411
PANTOTHENIC ACID (M+CL)-
Pantothenic acid
ME208107
6613
-
3.315
219.1102
PANTOTHENIC ACID (M-H)-
Pantothenic acid
ME208108
6613
-
3.317
219.1108
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-
2-Hydroxy-4-(methylthio)butanoic acid
ME207945
11427
-
3.401
150.0349
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
2-Hydroxy-3-methylbutyric acid
ME207944
853180
-
3.548
118.0627
ADIPIC ACID (M-H)-
Adipic acid
ME207970
196
-
3.6
146.0582
TRYPTOPHAN (M-H)-
Tryptophan
ME208147
6305
-
3.683
204.0861
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME208065
16217285
-
3.686
206.0838
TRYPTOPHAN (2M-H)-
Tryptophan
ME208146
6305
-
3.689
204.0887
5-METHYLTETRAHYDROFOLIC ACID (M-H)-
5-Methyl-THF
ME207965
9825434
-
3.712
459.1885
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)-
Hydroxyphenyllactic acid
ME207949
440177
-
3.857
182.0605
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-
Hydroxyphenyllactic acid
ME207950
440177
-
3.859
182.0572
ZEATIN [ISTD] (M+CL)-
trans-Zeatin
ME208164
449093
-
3.899
219.1113
ZEATIN [ISTD] (M-H)-
trans-Zeatin
ME208165
449093
-
3.904
219.1117
4-HYDROXYBENZOIC ACID (M-H)-
4-Hydroxybenzoic acid
ME207957
135
-
4.107
138.0311
N-ACETYL-DL-METHIONINE (M-H)-
N-Acetylmethionine
ME208087
448580
-
4.119
191.0613
5-HYDROXYINDOLEACETIC ACID (M-H)-
5-Hydroxyindoleacetic acid
ME207963
1826
-
4.172
191.0608
THEOPHYLLINE (M-H)-
Theophylline
ME208136
2153
-
4.375
180.062
3-METHYL-2-OXOPENTANOIC ACID (M-H)-
3-Methyl-2-oxovaleric acid
ME207954
440877
-
4.476
130.0627
5'-METHYLTHIOADENOSINE (M+CL)-
5'-Methylthioadenosine
ME207962
439176
-
4.481
297.0894
4-HYDROXYPHENYLACETIC ACID (M-H)-
4-Hydroxyphenylacetic acid
ME207958
127
-
4.764
152.0461
HIPPURIC ACID (M-H)-
Hippuric acid
ME208047
464
-
4.864
179.0578
4-METHYL-2-OXOPENTANOIC ACID (M-H)-
Ketoleucine
ME207959
70
-
4.888
130.0628
PHTHALIC ACID (M-H)-
Phthalic acid
ME208111
1017
-
4.919
166.0261
BENZOIC ACID (M-H)-
Benzoic acid
ME207982
243
-
4.982
122.0366
KYNURENIC ACID (M-H)-
Kynurenic acid
ME208059
3845
-
5.024
189.0418
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
2-Aminobenzoic acid
ME208066
227
-
5.381
138.0444
PHENYLPYRUVIC ACID (M-H)-
Phenylpyruvic acid
ME208110
997
-
5.496
164.0458
MANDELIC ACID (M-H)-
Mandelic acid
ME208077
11914
-
5.719
152.0466
HOMOVANILLIC ACID (2M-H)-
Homovanillic acid
ME208049
1738
-
5.787
182.0586
HOMOVANILLIC ACID (M-H)-
Homovanillic acid
ME208050
1738
-
5.789
182.0564
PIMELIC ACID (M-H)-
Pimelic acid
ME208113
385
-
5.789
160.0729
BIOTIN (M-H)-
Biotin
ME207984
11966127
-
6.34
244.0879
4-COUMARIC ACID (M-H)-
cis-p-Coumaric acid
ME207956
637542
-
6.983
164.0469
4-NITROPHENOL (M-H)-
4-Nitrophenol
ME207960
980
-
7.105
139.0266
N-ACETYL-L-LEUCINE (M-H)-
N-Acetylleucine
ME208090
75619
-
7.26
173.1046
RIBOFLAVIN (M+CL)-
Riboflavin
ME208121
493570
-
7.686
376.1409
RIBOFLAVIN (M-H)-
Riboflavin
ME208122
493570
-
7.687
376.1377
N-ACETYL-L-PHENYLALANINE (M-H)-
N-Acetylphenylalanine
ME208091
74839
-
7.808
207.0906
N-ACETYL-D-TRYPTOPHAN (M-H)-
N-Acetyl-D-tryptophan
ME208086
439917
-
8.036
246.0998
SUBERIC ACID (M-H)-
Suberic acid
ME208132
10457
-
8.36
174.0885
BENZOIC ACID #2 (M-H)-
Benzoic acid
ME207981
243
-
8.407
122.0368
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
L-HISTIDINOL (M+H)+
L-Histidinol
ME208365
165271
-
0.406
141.0908
CREATININE (M+H)+
Creatinine
ME208268
588
-
0.479
113.0595
SPERMINE (M+H)+
Spermine
ME208472
1103
-
0.491
202.2159
SPERMIDINE (M+H)+
Spermidine
ME208470
1102
-
0.504
145.1583
PUTRESCINE (M+H)+
Putrescine
ME208453
1045
-
0.513
88.1001
N1-ACETYLSPERMINE (M+H)+
N1-Acetylspermine
ME208412
916
-
0.525
244.2267
LYSINE (M+H)+
Lysine
ME208372
5962
-
0.53
146.1052
SPERMIDINE (M+NA)+
Spermidine
ME208471
1102
-
0.535
145.1566
LYSINE (M+NA)+
Lysine
ME208373
5962
-
0.54
146.1049
3-METHYLHISTAMINE (M+H)+
3-Methylhistamine
ME208204
69520
-
0.545
125.0936
NORADRENALINE (M+H)+[-H2O]
Xi-Norepinephrine
ME208420
951
-
0.581
169.0737
L-HISTIDINE (M+H)+
Histidine
ME208363
6274
-
0.593
155.0692
L-HISTIDINE (M+NA)+
Histidine
ME208364
6274
-
0.601
155.069
N(PAI)-METHYL-L-HISTIDINE (M+H)+
3-Methylhistidine
ME208381
64969
-
0.603
169.0854
CHOLINE PHOSPHATE (M+NA)+
Choline phosphate
ME208261
1014
-
0.604
183.0642
TAURINE (M+K)+
Taurine
ME208481
1123
-
0.604
125.0149
TAURINE (M+NA)+
Taurine
ME208482
1123
-
0.604
125.0131
3-PHOSPHOGLYCERIC ACID (M+NA)+
3-Phosphoglyceric acid
ME208206
439183
-
0.605
185.9946
GLUTAMINE (M+NA)+
Glutamine
ME208325
5961
-
0.605
146.0681
L-ARGININE (M+H)+
Arginine
ME208362
6322
-
0.605
174.1109
L-METHIONINE SULFOXIMINE (M+NA)+
Methionine sulfoximine
ME208366
89034
-
0.605
180.0591
ASPARTIC ACID (M+H)+
Aspartic acid
ME208240
5960
-
0.606
133.0357
HOMOSERINE (M+NA)+
Homoserine
ME208344
12647
-
0.607
119.0586
CHOLINE M+
Choline
ME208259
305
-
0.608
104.1079
S-ADENOSYLMETHIONINE (M+H)+
S-Adenosylmethionine
ME208463
34755
-
0.612
398.1298
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+
Phosphoethanolamine
ME208181
1015
-
0.613
141.0178
CARNITINE (M+H)+
Carnitine
ME208256
10917
-
0.614
161.1024
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+
Phosphoethanolamine
ME208182
1015
-
0.622
141.0181
GLUTAMIC ACID (M+H)+[-H2O]
Glutamic acid
ME208324
33032
-
0.628
147.0545
3-PHOSPHOGLYCERIC ACID (M+H)+
3-Phosphoglyceric acid
ME208205
439183
-
0.639
185.9909
ADP-RIBOSE (M+NA)+
ADP-ribose
ME208230
33576
-
0.64
559.0706
CYSTATHIONINE (M+NA)+
Cystathionine
ME208269
439258
-
0.641
222.0685
D-GLUCOSAMINE 6-SULFATE (M+H)+[-H2O]
Glucosamine 6-sulfate
ME208277
3330962
-
0.644
259.0377
ASPARTIC ACID (M+NA)+
Aspartic acid
ME208241
5960
-
0.646
133.0349
GUANIDINOACETIC ACID (M+H)+
Guanidoacetic acid
ME208334
763
-
0.649
117.0556
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
sn-Glycero-3-phosphocholine
ME208469
439285
-
0.649
257.1015
N-METHYLNICOTINIC ACID (2M+H)+
Trigonelline
ME208408
5570
-
0.655
137.0472
O-PHOSPHO-DL-SERINE (M+H)+
DL-O-Phosphoserine
ME208421
106
-
0.656
185.0093
CHOLINE PHOSPHATE (M+H)+
Choline phosphate
ME208260
1014
-
0.659
183.0656
CYSTEIC ACID (M+H)+
Cysteic acid
ME208270
72886
-
0.659
187.0147
CITRULLINE (M+NA)+
Citrulline
ME208264
9750
-
0.663
175.093
ADENOSINE 5'-PHOSPHOSULFATE (M+NA)+
Adenosine phosphosulfate
ME208228
10238
-
0.665
427.0188
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+
Anserine
ME208244
112072
-
0.666
240.1266
ASPARAGINE (M+H)+
Asparagine
ME208239
6267
-
0.669
132.0509
GLUCOSE (2M+NA)+
Glucose
ME208322
5793
-
0.673
180.0642
D-MANNOSAMINE (M+H)+[-H2O]
2-Amino-2-deoxy-D-mannose
ME208281
3034366
-
0.674
179.0827
N-ACETYL-D-GLUCOSAMINE (M+H)+[-H2O]
N-Acetylglucosamine
ME208385
446101
-
0.675
221.0937
GLUCOSAMINE 6-PHOSPHATE (M+H)+[-H2O]
Glucosamine 6-phosphate
ME208320
439217
-
0.679
259.0485
5-AMINOLEVULINIC ACID (M+NA)+
5-Amino-levulinic acid
ME208215
137
-
0.68
131.0562
CITRULLINE (M+H)+
Citrulline
ME208263
9750
-
0.68
175.0964
N-METHYLNICOTINIC ACID (M+H)+
Trigonelline
ME208409
5570
-
0.68
137.0485
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+
-
ME208446
83228
-
0.68
162.1019
RIBOSE (M+NA)+
Ribose
ME208461
5779
-
0.68
150.0538
CYTIDINE (2M+H)+
Cytidine
ME208272
6175
-
0.681
243.0847
N-ACETYLNEURAMINIC ACID (M+NA)+
N-Acetylneuraminic acid
ME208403
444885
-
0.681
309.1052
GLUCONIC ACID (M+NA)+
Gluconic acid
ME208319
10690
-
0.682
196.0587
CYTIDINE (M+H)+
Cytidine
ME208273
6175
-
0.687
243.0807
HOMOCYSTINE (M+H)+
Homocystine
ME208342
10010
-
0.689
268.0523
N-ACETYL-D-GLUCOSAMINE (M+H)+
N-Acetylglucosamine
ME208384
446101
-
0.689
221.0895
D-GLUCOSAMINE 6-SULFATE (M+H)+
Glucosamine 6-sulfate
ME208276
3330962
-
0.694
259.0325
D-MANNOSAMINE (M+H)+
2-Amino-2-deoxy-D-mannose
ME208280
3034366
-
0.694
179.0793
N-ACETYL-D-GLUCOSAMINE (M+NA)+
N-Acetylglucosamine
ME208386
446101
-
0.694
221.0868
DEHYDROASCORBIC ACID (M+H)+[-H2O]
Dehydroascorbic acid
ME208287
440667
-
0.695
174.0148
RAFFINOSE (M+K)+
Raffinose
ME208457
439242
-
0.697
504.1604
NICOTINAMIDE MONONUCLEOTIDE (M+H)+
Nicotinamide ribotide
ME208418
14180
-
0.698
334.0575
RAFFINOSE (M+NA)+
Raffinose
ME208458
439242
-
0.698
504.1599
3-DEHYDROXYCARNITINE (M+H)+
3-Dehydroxycarnitine
ME208196
725
-
0.701
145.1104
STACHYOSE (M+K)+
Stachyose
ME208476
439531
-
0.703
666.2121
STACHYOSE (M+NA)+
Stachyose
ME208477
439531
-
0.703
666.2149
4-GUANIDINOBUTANOIC ACID (M+H)+
4-Guanidinobutanoic acid
ME208209
500
-
0.704
145.0879
CYTIDINE 5'-DIPHOSPHATE (M+H)+
CDP
ME208274
6132
-
0.704
403.0187
GLUCOSAMINE 6-PHOSPHATE (M+NA)+
Glucosamine 6-phosphate
ME208321
439217
-
0.709
259.0429
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+
Anserine
ME208243
112072
-
0.713
240.1223
4-HYDROXY-L-PROLINE (M+H)+
cis-4-Hydroxyproline
ME208211
440015
-
0.72
131.0578
CYTOSINE (M+NA)+
Cytosine
ME208275
597
-
0.721
111.0417
CYSTINE (M+NA)+
Cystine
ME208271
6857538
-
0.724
240.023
O-PHOSPHO-DL-SERINE (M+NA)+
DL-O-Phosphoserine
ME208422
106
-
0.73
185.0086
CREATINE (M+H)+
Creatine
ME208267
586
-
0.742
131.0713
SUCROSE (M+NA)+
Sucrose
ME208480
5988
-
0.743
342.11
D-GLUCOSE 6-PHOSPHATE (M+K)+
Glucose 6-phosphate
ME208278
5958
-
0.747
260.0334
MALIC ACID (M+NA)+
Malic acid
ME208375
222656
-
0.747
134.0217
FLUCYTOSINE (M+H)+
Flucytosine
ME208313
3366
-
0.748
129.035
SARCOSINE (M+H)+
Sarcosine
ME208465
1088
-
0.759
89.046
D-GLUCOSE 6-PHOSPHATE (M+NA)+
Glucose 6-phosphate
ME208279
5958
-
0.763
260.0281
EPINEPHRINE (M+H)+[-H2O]
Epinephrine
ME208309
5816
-
0.767
183.0896
GUANINE (2M+NA)+
Guanine
ME208335
764
-
0.768
151.0493
N-ACETYLNEURAMINIC ACID (M+H)+
N-Acetylneuraminic acid
ME208402
444885
-
0.774
309.1006
GLUTAMIC ACID (M+H)+
Glutamic acid
ME208323
33032
-
0.777
147.0506
5-AMINOPENTANOIC ACID (M+H)+
5-Aminopentanoic acid
ME208216
138
-
0.781
117.077
PROLINE (M+H)+
Proline
ME208449
145742
-
0.783
115.0651
BIURET (M+H)+
Biuret
ME208250
7913
-
0.796
103.0379
N-ACETYL-DL-SERINE (M+H)+
N-Acetylserine
ME208392
65249
-
0.842
147.0527
THIAMIN MONOPHOSPHATE (M+NA)+
Thiamine monophosphate
ME208491
3382778
-
0.846
344.0645
OROTIC ACID (M+H)+
Orotic acid
ME208435
967
-
0.849
156.0179
URIDINE-5-MONOPHOSPHATE (M+H)+
UMP
ME208509
6030
-
0.851
324.0343
ALPHA-KETO-GLUTARIC ACID (M+H)+[-H2O]
2-Oxoglutaric acid
ME208235
51
-
0.857
146.0214
URIDINE-5-MONOPHOSPHATE (2M+NA)+
UMP
ME208508
6030
-
0.857
324.0392
(2-AMINOETHYL)PHOSPHONIC ACID (M+NA)+
Ciliatine
ME208166
339
-
0.873
125.024
CITRIC ACID (M+NA)+
Citric acid
ME208262
311
-
0.874
192.0255
VALINE (M+NA)+
Valine
ME208512
6287
-
0.878
117.078
VALINE (M+H)+
Valine
ME208511
6287
-
0.885
117.0799
METHYL BETA-D-GALACTOSIDE (M+NA)+
Methyl beta-D-galactoside
ME208378
94214
-
0.886
194.0767
GUANINE (M+H)+
Guanine
ME208336
764
-
0.894
151.049
DIHYDROOROTIC ACID (M+H)+
Dihydroorotic acid
ME208293
1149667
-
0.901
158.0308
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+
UDP-N-acetylgalactosamine
ME208502
23724461
-
0.903
607.081
PIPECOLIC ACID (M+H)+
Pipecolic acid
ME208442
849
-
0.905
129.077
THREONINE (M+H)+[-H2O]
Threonine
ME208492
6288
-
0.911
119.0578
PHOSPHOCREATINE (M+H)+
Phosphocreatine
ME208440
9548602
-
0.919
211.0396
GDPMANNOSE (M+H)+
GDP-mannose
ME208318
18396
-
0.921
605.0785
ACETYLCARNITINE (M+H)+
CAR 2:0
ME208223
18230
-
0.929
203.116
ADENOSINE 5'-MONOPHOSPHATE (M+H)+
AMP
ME208227
6083
-
0.929
347.064
URACIL (M+H)+
Uracil
ME208503
1174
-
0.93
112.0278
SERINE (M+H)+
Serine
ME208467
617
-
0.937
105.0414
ADENOSINE 5'-MONOPHOSPHATE (2M+H)+
AMP
ME208226
6083
-
0.939
347.0564
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O]
gamma-Glutamylcysteine
ME208316
123938
-
0.945
250.0627
3-METHYLADENINE (M+H)+
3-Methyladenine
ME208203
1673
-
0.946
149.0702
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME208393
65249
-
0.948
147.0523
BIS-GAMMA-GLUTAMYLCYSTINE (M+H)+
Bis-gamma-glutamylcystine
ME208249
90657696
-
0.955
498.1005
2-METHYLPROPANAL OXIME (M+H)+[-H2O]
2-Methylpropanal oxime
ME208188
9023
-
0.964
87.0677
GUANOSINE 5'-PHOSPHATE (M+H)+
GMP
ME208338
6804
-
0.967
363.06
INOSINE 5'-PHOSPHATE (M+H)+
IMP
ME208353
8582
-
0.969
348.0458
INOSINE 5'-PHOSPHATE (M+NA)+
IMP
ME208354
8582
-
0.969
348.0447
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]
3-Dehydroshikimate
ME208195
439774
-
0.971
172.0339
N-ACETYL-ASPARTIC ACID (M+H)+
N-Acetylaspartic acid
ME208382
65065
-
0.973
175.0472
N-ACETYL-ASPARTIC ACID (M+NA)+
N-Acetylaspartic acid
ME208383
65065
-
0.973
175.0492
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+
gamma-Glutamylcysteine
ME208315
123938
-
0.978
250.0599
METHIONINE (M+H)+
Methionine
ME208377
6137
-
0.978
149.0501
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+
1-Aminocyclopropanecarboxylic acid
ME208167
535
-
0.983
101.0472
DUMP (M+H)+
dUMP
ME208297
65063
-
0.989
308.0377
URIC ACID (M+H)+
Uric acid
ME208505
1175
-
0.993
168.0265
NAD (M+H)+
NAD
ME208415
5893
-
1.006
663.1064
NAD (M+2H)+2
NAD
ME208414
5893
-
1.007
663.0964
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M+H)+
Nicotinamide purin-6-ol-dinucleotide
ME208417
440334
-
1.009
664.1043
DUMP (M+NA)+
dUMP
ME208299
65063
-
1.047
308.0428
HYPOXANTHINE (M+NA)+
Hypoxanthine
ME208346
790
-
1.095
136.0376
HYPOXANTHINE (M+H)+
Hypoxanthine
ME208345
790
-
1.096
136.0371
NICOTINAMIDE (M+H)+
Niacinamide
ME208416
936
-
1.104
122.0467
DUMP (M+K)+
dUMP
ME208298
65063
-
1.119
308.0444
OCTANOYLCARNITINE (*) (M+H)+
CAR 8:0
ME208424
123701
-
11.57
287.2111
5-OXOPROLINE (M+H)+
Pyroglutamic acid
ME208221
7405
-
1.196
129.0416
ALANINE (M+H)+
Alanine
ME208231
5950
-
1.204
89.0478
DAMP (M+H)+
dAMP
ME208282
12599
-
1.212
331.0667
OPHTHALMIC ACID (M+H)+
Ophthalmic acid
ME208434
7018721
-
1.225
289.1252
3-HYDROXYKYNURENINE (M+H)+
Hydroxykynurenine
ME208200
11811
-
1.235
224.0787
ADENOSINE 5'-MONOPHOSPHATE #2 (M+H)+
AMP
ME208225
6083
-
1.268
347.0599
XANTHINE (M+H)+
Xanthine
ME208515
1188
-
1.274
152.0318
PYRIDOXAL PHOSPHATE (M+H)+
Pyridoxal 5'-phosphate
ME208456
1051
-
1.276
247.0231
PYRIDOXAL PHOSPHATE (2M+H)+
Pyridoxal 5'-phosphate
ME208455
1051
-
1.279
247.0198
URACIL 5-CARBOXYLIC ACID (M+H)+
Uracil-5-carboxylic acid
ME208504
6971263
-
1.281
156.0158
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O]
-
ME208347
10444113
-
12.861
236.1036
N-ACETYL-GLUTAMIC ACID (M+H)+
N-Acetylglutamic acid
ME208394
185
-
1.299
189.062
N-ACETYL-GLUTAMIC ACID (M+NA)+
N-Acetylglutamic acid
ME208395
185
-
1.304
189.0608
SELENOMETHIONINE (M+H)+
Selenomethionine
ME208466
105024
-
1.309
196.9974
TYROSINE (M+H)+
Tyrosine
ME208500
6057
-
1.315
181.0715
TYROSINE (M+NA)+
Tyrosine
ME208501
6057
-
1.323
181.0721
NONANOIC ACID (M+NA)+
Pelargonic acid
ME208419
8158
-
13.265
158.1315
10-HYDROXYDECANOIC ACID (M+H)+[-H2O]
10-Hydroxydecanoic acid
ME208170
6991989
-
13.57
188.1413
URIDINE (M+NA)+
Uridine
ME208507
6029
-
1.362
244.0677
SALSOLINOL (M+H)+
Salsolinol
ME208464
9158
-
1.367
179.0932
URIDINE (M+H)+
Uridine
ME208506
6029
-
1.369
244.0679
GLUTATHIONE OXIDIZED (M+H)+
Glutathione
ME208326
65359
-
1.371
612.1504
GLUTATHIONE OXIDIZED (M+H2)+2
Glutathione
ME208327
65359
-
1.373
612.1448
DECENOYLCARNITINE (*) (M+H)+
CAR 10:1
ME208286
57357170
-
13.744
313.2262
N-ACETYL-L-ALANINE (M+H)+[-H2O]
N-Acetylalanine
ME208396
88064
-
1.397
131.0584
N-ACETYL-L-ALANINE (M+NA)+
N-Acetylalanine
ME208397
88064
-
1.432
131.0558
MEVALONIC ACID (M+NA)+[-H2O]
Mevalonic acid
ME208380
439230
-
1.477
148.0721
DECANOYLCARNITINE (*) (M+H)+
CAR 10:0
ME208285
11953821
-
15.122
315.2449
CORTICOSTERONE (M+NA)+
Corticosterone
ME208266
5753
-
15.198
346.21
CORTICOSTERONE (M+H)+
Corticosterone
ME208265
5753
-
15.202
346.2077
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+
S-Adenosylhomocysteine
ME208462
439155
-
1.522
384.1202
ISOLEUCINE (M+H)+
Isoleucine
ME208356
6306
-
1.6
131.0949
ISOLEUCINE (M+NA)+
Isoleucine
ME208357
6306
-
1.603
131.0939
METHYL JASMONATE (M+NA)+
Methyl jasmonate
ME208379
5281929
-
16.042
224.1427
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+
CAR 12:0;OH
ME208201
71464535
-
16.106
359.2684
ESTRADIOL-17BETA (M+NA)+
beta-Estradiol
ME208311
5757
-
16.396
272.1808
ESTRONE (M+H)+
Estrone
ME208312
5870
-
16.418
270.1607
3-HYDROXY-3-METHYLGLUTARIC ACID (M+NA)+
3-Hydroxymethylglutaric acid
ME208198
1662
-
1.65
162.052
PROPIONYLCARNITINE (*) (M+H)+
CAR 3:0
ME208450
107738
-
1.652
217.1316
THROMBOXANE B2 (M+NA)+
TXB2
ME208493
5283137
-
16.655
370.2326
DODECENOYLCARNITINE (*) II M+
CAR 12:1
ME208296
53481671
-
16.779
342.2652
PROSTAGLANDIN E2 (M+H)+
PGE2
ME208451
5280360
-
16.868
352.2262
DEOXYURIDINE (M+NA)+
Deoxyuridine
ME208289
13712
-
1.7
228.0754
INOSINE (M+NA)+
Inosine
ME208352
6021
-
1.709
268.0811
THYMINE (M+H)+
Thymine
ME208496
1135
-
1.718
126.041
4-ACETAMIDOBUTANOIC ACID (M+NA)+
4-Acetamidobutanoic acid
ME208207
18189
-
1.754
145.0749
3-HYDROXY-3-METHYLGLUTARIC ACID (M+H)+
3-Hydroxymethylglutaric acid
ME208197
1662
-
1.756
162.0533
2-HYDROXYBUTYRIC ACID (M+NA)+
2-Hydroxybutyric acid
ME208186
11266
-
1.772
104.0488
LAUROYLCARNITINE (M+H)+
CAR 12:0
ME208368
168381
-
17.752
343.2712
TETRADECADIENOYLCARNITINE (*) M+
CAR 14:2
ME208489
53481681
-
17.807
368.2799
5-HYDROXYTRYPTOPHAN (M+H)+
5-Hydroxy-tryptophan
ME208219
439280
-
1.798
220.0826
INDOLE-3-ACETALDEHYDE (M+H)+
Indoleacetaldehyde
ME208348
800
-
1.801
159.0695
SEROTONIN (M+H)+
Serotonin
ME208468
5202
-
1.801
176.0941
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME208194
64956
-
1.819
103.0639
TAUROCHOLIC ACID (M+NA)+
Taurocholic acid
ME208486
6675
-
18.252
515.292
GUANOSINE (M+H)+
Guanosine
ME208337
6802
-
1.835
283.0932
INOSINE (M+H)+
Inosine
ME208351
6021
-
1.836
268.0818
LINOLEIC ACID (M+NA)+
Linoleic acid
ME208370
5280450
-
18.365
280.2365
EPIANDROSTERONE (M+H)+
Epiandrosterone
ME208304
441302
-
18.373
290.2208
EPIANDROSTERONE (M+NA)+
Epiandrosterone
ME208306
441302
-
18.389
290.224
EPIANDROSTERONE (M+H)+[-H2O]
Epiandrosterone
ME208305
441302
-
18.394
290.2242
DIETHYLSTILBESTROL (M+NA)+
Diethylstilbestrol
ME208292
448537
-
18.803
268.148
N-METHYL-GLUTAMIC ACID (M+NA)+
N-Methyl-glutamic acid
ME208407
439377
-
1.889
161.0657
TETRADECENOYLCARNITINE (*) M+
CAR 14:1
ME208490
22833575
-
18.902
370.2974
3-METHOXYTYROSINE (M+H)+
3-Methoxytyrosine
ME208202
9307
-
1.945
211.0812
PROGESTERONE (M+H)+
Progesterone
ME208447
5994
-
19.712
314.2253
PROGESTERONE (M+NA)+
Progesterone
ME208448
5994
-
19.712
314.2296
ANDROSTERONE (M+NA)+
Androsterone
ME208237
5879
-
19.763
290.2235
EPIBRASSINOLIDE [ISTD] (M+H)+
24-epi-Brassinolide
ME208307
115196
-
19.949
480.3465
EPIBRASSINOLIDE [ISTD] (M+NA)+
24-epi-Brassinolide
ME208308
115196
-
19.95
480.3466
TAUROCHENODEOXYCHOLIC ACID (M+H)+[-H2O]
Taurochenodeoxycholic acid
ME208484
387316
-
20.091
499.3034
SPHINGOSINE (M+H)+
Sphingosine
ME208474
5280335
-
20.199
299.2816
TAUROCHENODEOXYCHOLIC ACID (M+NA)+
Taurochenodeoxycholic acid
ME208485
387316
-
20.236
499.3006
TAUROCHENODEOXYCHOLIC ACID (M+H)+
Taurochenodeoxycholic acid
ME208483
387316
-
20.276
499.2959
PREGNENOLONE (M+NA)+
Pregnenolone
ME208445
8955
-
20.283
316.2361
SPHINGOSINE (M+H)+[-H2O]
Sphingosine
ME208475
5280335
-
20.284
299.2812
PREGNENOLONE (M+H)+
Pregnenolone
ME208443
8955
-
20.357
316.2399
PREGNENOLONE (M+H)+[-H2O]
Pregnenolone
ME208444
8955
-
20.357
316.2397
GAMMA-BUTYROLACTONE (M+H)+
gamma-Butyrolactone
ME208314
7302
-
2.056
86.0371
SPHINGANINE (M+H)+
Sphinganine
ME208473
644260
-
20.59
301.2934
PYRIDOXAL #2 (M+H)+[-H2O]
Pyridoxal
ME208454
1050
-
2.069
167.0601
ALLOPREGNANOLONE (M+NA)+
3alpha-Hydroxy-5alpha-pregnan-20-one
ME208234
92787
-
20.803
318.255
LEUKOTRIENE B4 (M+NA)+
LTB4
ME208369
5280492
-
20.822
336.2271
ALLOPREGNANOLONE (M+H)+
3alpha-Hydroxy-5alpha-pregnan-20-one
ME208232
92787
-
20.869
318.2567
LINOLEOYLCARNITINE (*) (M+H)+
CAR 18:2
ME208371
6450015
-
20.882
423.3281
5-VALEROLACTONE (M+H)+
5-Valerolactone
ME208222
10953
-
2.089
100.0512
ALLOPREGNANOLONE (M+H)+[-H2O]
3alpha-Hydroxy-5alpha-pregnan-20-one
ME208233
92787
-
20.924
318.2549
HOMOGENTISIC ACID (M+H)+
Homogentisic acid
ME208343
780
-
2.098
168.0411
M-HYDROXYMANDELIC ACID (M+H)+[-H2O]
3-Hydroxymandelic acid
ME208374
86957
-
2.098
168.0421
2'-DEOXYINOSINE (2M+NA)+
Deoxyinosine
ME208179
65058
-
2.1
252.089
2'-DEOXYINOSINE (M+NA)+
Deoxyinosine
ME208180
65058
-
2.1
252.0894
OLEOYLCARNITINE (*) (M+H)+
CAR 18:1
ME208433
6441392
-
21.224
425.3445
GLYCOLITHOCHOLIC ACID (M+NA)+[-H2O]
Glycolithocholic acid
ME208332
115245
-
21.423
433.3261
GLYCOLITHOCHOLIC ACID (M+NA)+
Glycolithocholic acid
ME208331
115245
-
21.611
433.3261
STEAROYLCARNITINE (*) (M+H)+
CAR 18:0
ME208478
52922056
-
21.621
427.3592
EICOSADIENOYLCARNITINE (*) (M+H)+
CAR 20:2
ME208300
71464509
-
21.635
451.3579
DEOXYCHOLIC ACID (M+NA)+
Deoxycholic acid
ME208288
222528
-
21.659
392.2881
URSODIOL (M+NA)+
Ursodeoxycholic acid
ME208510
31401
-
21.762
392.2911
TAUROLITHOCHOLIC ACID (M+H)+
Taurolithocholic acid
ME208487
439763
-
21.82
483.3078
EICOSENOYLCARNITINE (*) (M+H)+
CAR 20:1
ME208302
71464507
-
21.841
453.3838
TAUROLITHOCHOLIC ACID (M+NA)+
Taurolithocholic acid
ME208488
439763
-
21.851
483.3095
EICOSANOYLCARNITINE (*) (M+H)+
CAR 20:0
ME208301
53477833
-
22.002
455.3885
GLYCEROL MYRISTATE (M+H)+[-H2O]
MG 14:0
ME208329
79050
-
22.084
302.2455
GLYCEROL MYRISTATE (M+NA)+
MG 14:0
ME208330
79050
-
22.09
302.2446
KYNURENINE (M+NA)+
Kynurenine
ME208361
161166
-
2.213
208.0845
GLYCEROL MYRISTATE (M+H)+
MG 14:0
ME208328
79050
-
22.134
302.2423
KYNURENINE (M+H)+
Kynurenine
ME208360
161166
-
2.214
208.0853
16:0 LYSO PC (M+NA)+
LPC 16:0
ME208172
460602
-
22.278
495.3321
16:0 LYSO PC (M+H)+
LPC 16:0
ME208171
460602
-
22.279
495.3331
OLEIC ACID (M+NA)+
Oleic acid
ME208429
445639
-
22.506
282.2538
OLEIC ACID (M+H)+
Oleic acid
ME208428
445639
-
22.514
282.2543
N-OLEOYLGLYCINE (M+NA)+
N-Oleoyl glycine
ME208411
6436908
-
22.554
339.2832
OLEAMIDE (M+NA)+
Oleamide
ME208427
5283387
-
22.636
281.2704
OLEAMIDE (M+H)+
Oleamide
ME208426
5283387
-
22.643
281.2691
CALCIDIOL (M+NA)+
25-Hydroxyvitamin D3
ME208255
5283731
-
22.649
400.3319
N-OLEOYLGLYCINE (M+H)+
N-Oleoyl glycine
ME208410
6436908
-
22.653
339.2839
OLEOYL-GLYCEROL (M+H)+
MG 18:1
ME208430
5319879
-
22.657
356.2927
OLEOYL-GLYCEROL (M+H)+[-H2O]
MG 18:1
ME208431
5319879
-
22.662
356.2927
18:0 LYSO-PE (M+NA)+
LPE 18:0
ME208178
9547068
-
22.677
481.3178
18:0 LYSO-PE (2M+H)+
LPE 18:0
ME208175
9547068
-
22.68
481.3112
18:0 LYSO-PE (2M+NA)+
LPE 18:0
ME208176
9547068
-
22.68
481.3095
18:0 LYSO-PE (M+H)+
LPE 18:0
ME208177
9547068
-
22.681
481.3181
OLEOYL-GLYCEROL (M+NA)+
MG 18:1
ME208432
5319879
-
22.691
356.2936
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]
25-Hydroxycholesterol
ME208192
65094
-
22.787
402.3446
DECANOIC ACID (2M+NA)+
Capric acid
ME208284
2969
-
22.804
172.144
GAMMA-LINOLENIC ACID (M+NA)+
gamma-Linolenic acid
ME208317
5280933
-
22.845
278.2238
DECANOIC ACID (2M+H)+
Capric acid
ME208283
2969
-
22.871
172.1456
XANTHOSINE (M+H)+
Xanthosine
ME208516
64959
-
2.295
284.0778
ELAIDIC ACID (M+H)+
Elaidic acid
ME208303
637517
-
22.968
282.2599
PROTOPORPHYRIN (M+H)+
Protoporphyrin
ME208452
4971
-
22.973
562.2608
20:0 LYSO PC (M+NA)+
LPC 20:0
ME208190
24779473
-
22.988
551.3985
20:0 LYSO PC (M+H)+
LPC 20:0
ME208189
24779473
-
23.002
551.3964
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
bis(2-Ethylhexyl)phthalic acid
ME208247
8343
-
23.083
390.2774
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
bis(2-Ethylhexyl)phthalic acid
ME208248
8343
-
23.113
390.2791
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+
-
ME208253
46891735
-
23.147
643.4911
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) M+[-C6H...
-
ME208254
46891735
-
23.185
643.4988
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+H)+
-
ME208252
46891735
-
23.197
643.4908
OCTACOSANOIC ACID (M+H)+
Montanic acid
ME208423
10470
-
23.46
424.4347
ARACHIDONYLCARNITINE (*) M+
CAR 20:4
ME208238
101431140
-
23.504
504.4145
ERUCIC ACID (M+NA)+
cis-Erucic acid
ME208310
5281116
-
23.505
338.3212
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]
Cholesterol sulfate
ME208258
65076
-
23.869
466.3111
DESMOSTEROL (M+H)+[-H2O]
Desmosterol
ME208291
439577
-
24.228
384.34
PHENYLALANINE (M+H)+
Phenylalanine
ME208439
6140
-
2.426
165.078
2-METHYLMALEIC ACID #2 (M+NA)+
Citraconic acid
ME208187
643798
-
2.435
130.0292
ALPHA-TOCOPHEROL (M+H)+
alpha-Tocopherol
ME208236
14985
-
24.58
430.38
CHOLESTEROL (M+H)+[-H2O]
Cholesterol
ME208257
5997
-
24.655
386.356
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M+H)+
PE 16:0/16:0
ME208294
445468
-
24.735
691.5192
1-METHYLXANTHINE (M+NA)+
1-Methylxanthine
ME208169
80220
-
2.526
166.0465
1-METHYLXANTHINE (M+H)+
1-Methylxanthine
ME208168
80220
-
2.529
166.0476
16:0-18:0 PC (M+NA)+
PC 16:0_18:0
ME208174
18631368
-
25.542
761.5973
16:0-18:0 PC (M+H)+
PC 16:0_18:0
ME208173
18631368
-
25.575
761.596
DIPALMITOYL-GLYCEROL (M+H)+[-H2O]
DG 16:0_16:0
ME208295
644078
-
26.124
568.5054
TRYPTOPHANAMIDE (M+H)+
Tryptophanamide
ME208499
439356
-
2.706
203.1063
THYMIDINE (M+H)+
Thymidine
ME208494
5789
-
2.78
242.0901
THYMIDINE (M+NA)+
Thymidine
ME208495
5789
-
2.783
242.0902
24:0 SM (D18:1/24:0) (M+H)+
SM 18:1;O2/24:0
ME208191
44260127
-
27.899
814.7089
ISO-BUTYRYLCARNITINE (*) (M+H)+
CAR 3:0;2Me
ME208355
168379
-
2.826
231.1486
BUTYRYLCARNITINE (*) (M+H)+
CAR 4:0
ME208251
213144
-
2.954
231.1482
PANTOTHENIC ACID (M+H)+
Pantothenic acid
ME208436
6613
-
3.316
219.1134
PANTOTHENIC ACID (M+NA)+
Pantothenic acid
ME208437
6613
-
3.316
219.1131
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+NA)+
2-Hydroxy-4-(methylthio)butanoic acid
ME208185
11427
-
3.408
150.0373
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+
2-Hydroxy-4-(methylthio)butanoic acid
ME208184
11427
-
3.427
150.0322
2-HYDROXY-3-METHYLBUTYRIC ACID (M+NA)+
2-Hydroxy-3-methylbutyric acid
ME208183
853180
-
3.533
118.0638
ADIPIC ACID (M+NA)+
Adipic acid
ME208229
196
-
3.58
146.0579
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME208367
16217285
-
3.647
206.0851
TRYPTOPHAN (M+H)+
Tryptophan
ME208497
6305
-
3.648
204.0859
TRYPTOPHAN (M+NA)+
Tryptophan
ME208498
6305
-
3.651
204.0863
5-METHYLTETRAHYDROFOLIC ACID (M+H)+
5-Methyl-THF
ME208220
9825434
-
3.725
459.1894
DEPHOSPHO-COA (M+2H)+2
3'-Dephospho-CoA
ME208290
444485
-
3.82
687.1524
PHENYL ACETATE (M+H)+
Phenyl acetate
ME208438
999
-
3.824
136.0515
3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+
Hydroxyphenyllactic acid
ME208193
440177
-
3.852
182.0589
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (M+H)+[-H2O]
4-Hydroxy-3-methoxybenzenemethanol
ME208210
62348
-
3.875
154.0632
ZEATIN [ISTD] (M+H)+
trans-Zeatin
ME208518
449093
-
3.936
219.1128
ACETYLCHOLINE M+
Acetylcholine
ME208224
187
-
3.953
146.1171
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]
N-Acetylmethionine
ME208390
448580
-
4.096
191.0605
N-ACETYL-DL-METHIONINE (M+H)+
N-Acetylmethionine
ME208389
448580
-
4.106
191.0628
N-ACETYL-DL-METHIONINE (M+NA)+
N-Acetylmethionine
ME208391
448580
-
4.109
191.0632
5-HYDROXYINDOLEACETIC ACID (M+NA)+
5-Hydroxyindoleacetic acid
ME208218
1826
-
4.271
191.062
5-HYDROXYINDOLEACETIC ACID (M+H)+
5-Hydroxyindoleacetic acid
ME208217
1826
-
4.286
191.0601
XANTHURENIC ACID (M+H)+
Xanthurenic acid
ME208517
5699
-
4.497
205.0408
5'-METHYLTHIOADENOSINE (M+H)+
5'-Methylthioadenosine
ME208213
439176
-
4.554
297.0912
5'-METHYLTHIOADENOSINE (M+NA)+
5'-Methylthioadenosine
ME208214
439176
-
4.556
297.0914
ISOVALERYLCARNITINE (*) (M+H)+
CAR 4:0;3Me
ME208358
169235
-
4.57
245.1638
4-HYDROXYPHENYLACETIC ACID (M+H)+
4-Hydroxyphenylacetic acid
ME208212
127
-
4.619
152.0456
HIPPURIC ACID (M+H)+
Hippuric acid
ME208340
464
-
4.846
179.0605
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]
3-Hydroxybenzaldehyde
ME208199
101
-
4.85
122.0373
HIPPURIC ACID (M+NA)+
Hippuric acid
ME208341
464
-
4.854
179.0596
PHTHALIC ACID (M+NA)+
Phthalic acid
ME208441
1017
-
4.885
166.0265
KYNURENIC ACID (M+H)+
Kynurenic acid
ME208359
3845
-
4.972
189.044
BENZOIC ACID (M+H)+
Benzoic acid
ME208242
243
-
4.988
122.0377
N-ACETYLSEROTONIN (M+NA)+
N-Acetylserotonin
ME208404
903
-
5.004
218.1085
BIOTIN (M+H)+
Biotin
ME208245
11966127
-
6.334
244.0915
BIOTIN (M+NA)+
Biotin
ME208246
11966127
-
6.346
244.0915
VITAMIN B12 (M+2NA)+2
Vitamin B12
ME208514
118701016
-
6.936
1354.5704
VITAMIN B12 (M+2H)+2
Vitamin B12
ME208513
118701016
-
6.95
1354.5703
4-COUMARIC ACID (M+H)+
cis-p-Coumaric acid
ME208208
637542
-
6.981
164.0494
HEXANOYLCARNITINE (*) M+
CAR 6:0
ME208339
3246939
-
7.151
260.1881
N-ACETYL-L-LEUCINE (M+H)+
N-Acetylleucine
ME208398
75619
-
7.244
173.105
N-ACETYL-L-LEUCINE (M+NA)+
N-Acetylleucine
ME208399
75619
-
7.248
173.1056
GUAIFENESIN (M+H)+
Guaifenesin
ME208333
3516
-
7.64
198.0861
RIBOFLAVIN (M+H)+
Riboflavin
ME208459
493570
-
7.687
376.1422
RIBOFLAVIN (M+NA)+
Riboflavin
ME208460
493570
-
7.687
376.1423
N-ACETYL-L-PHENYLALANINE (M+H)+
N-Acetylphenylalanine
ME208400
74839
-
7.786
207.092
N-ACETYL-L-PHENYLALANINE (M+NA)+
N-Acetylphenylalanine
ME208401
74839
-
7.787
207.0925
N6-(DELTA2-ISOPENTENYL)-ADENINE (M+H)+
N6-Isopentenyladenine
ME208413
92180
-
7.955
203.1158
N-CYCLOHEXYLFORMAMIDE (M+NA)+
N-Cyclohexylformamide
ME208406
13017
-
7.979
127.1001
N-CYCLOHEXYLFORMAMIDE (M+H)+
N-Cyclohexylformamide
ME208405
13017
-
7.986
127.0998
N-ACETYL-D-TRYPTOPHAN (M+H)+
N-Acetyl-D-tryptophan
ME208387
439917
-
8.015
246.1026
N-ACETYL-D-TRYPTOPHAN (M+NA)+
N-Acetyl-D-tryptophan
ME208388
439917
-
8.023
246.1043
SUBERIC ACID (M+NA)+
Suberic acid
ME208479
10457
-
8.343
174.0917
INDOLE-3-ACETIC ACID (M+NA)+
Indoleacetic acid
ME208350
802
-
8.488
175.0641
INDOLE-3-ACETIC ACID (M+H)+
Indoleacetic acid
ME208349
802
-
8.49
175.0652
MELATONIN (M+NA)+
Melatonin
ME208376
896
-
8.946
232.1225
OCTENOYLCARNITINE (*) M+
CAR 8:1
ME208425
71464472
-
9.569
286.204
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