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Return to study ST000757 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
GLUCONIC ACID (M-H)-
Gluconic acid
ME209812
10690
-
0.678
196.0584
MALATE (M-H)-
Malic acid
ME209818
222656
-
0.851
134.0222
ADENOSINE 5'-MONOPHOSPHATE (M-H)-
AMP
ME209799
6083
-
0.966
347.0618
URATE (M-H)-
Uric acid
ME209828
1175
-
1.073
168.0291
TYROSINE (M-H)-
Tyrosine
ME209827
6057
-
1.362
181.0729
URIDINE (M-H)-
Uridine
ME209829
6029
-
1.364
244.0708
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-
S-Adenosylhomocysteine
ME209825
439155
-
1.395
384.1253
CITRAMALATE (M-H)-
Citramalic acid
ME209805
441696
-
1.399
148.0377
MEVALONIC ACID (M-H)-
Mevalonic acid
ME209819
439230
-
1.579
148.0721
ISOLEUCINE (M-H)-
Isoleucine
ME209815
6306
-
1.613
131.0945
3-HYDROXY-3-METHYLGLUTARATE (M-H)-
3-Hydroxymethylglutaric acid
ME209795
1662
-
1.618
162.0532
DEOXYURIDINE (M-H)-
Deoxyuridine
ME209809
13712
-
1.618
228.0746
2-HYDROXYBUTYRATE (M-H)-
2-Hydroxybutyric acid
ME209793
11266
-
1.703
104.0477
DEOXYADENOSINE (M+CL)-
Deoxyadenosine
ME209806
13730
-
1.783
251.0982
5-VALEROLACTONE (M+HCOO)-
5-Valerolactone
ME209798
10953
-
1.799
100.0524
GLYCOCHOLATE (M-H)-
Glycocholic acid
ME209813
10140
-
18.845
465.3086
CHOLATE (M-H)-
Cholic acid
ME209803
221493
-
20.322
408.2874
URSODIOL (M+HCOO)-
Ursodeoxycholic acid
ME209830
31401
-
21.596
392.2917
URSODIOL (M-H)-
Ursodeoxycholic acid
ME209831
31401
-
21.631
392.2897
DEOXYCHOLIC ACID (M+CL)-
Deoxycholic acid
ME209807
222528
-
21.683
392.2917
DEOXYCHOLIC ACID (M-H)-
Deoxycholic acid
ME209808
222528
-
21.704
392.2914
LAURIC ACID (M-H)-
Lauric acid
ME209816
3893
-
21.774
200.1767
LITHOCHOLIC ACID (M+HCOO)-
Lithocholic acid
ME209817
9903
-
22.281
376.2916
RETINOATE (M-H)-
Retinoic acid
ME209823
444795
-
22.29
300.2093
18:0 LYSO-PE (M-H)-
LPE 18:0
ME209790
9547068
-
22.655
481.316
HYODEOXYCHOLATE (M-H)-
Hyodeoxycholic acid
ME209814
5283820
-
22.842
392.2929
OLEIC ACID (M-H)-
Oleic acid
ME209820
445639
-
22.943
282.2566
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME209804
5282768
-
23.269
310.287
ERUCIC ACID (M-H)-
cis-Erucic acid
ME209810
5281116
-
23.669
338.3176
BEHENIC ACID (M-H)-
Behenic acid
ME209801
8215
-
24.099
340.3337
TRICOSANOIC ACID (M-H)-
Tricosylic acid
ME209826
17085
-
24.396
354.3495
PHENYLALANINE (M-H)-
Phenylalanine
ME209822
6140
-
2.515
165.0789
PANTOTHENATE (M+CL)-
Pantothenic acid
ME209821
6613
-
3.238
219.1083
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-
2-Hydroxy-4-(methylthio)butanoic acid
ME209792
11427
-
3.328
150.0345
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
2-Hydroxy-3-methylbutyric acid
ME209791
853180
-
3.461
118.0629
ADIPIC ACID (M-H)-
Adipic acid
ME209800
196
-
3.567
146.0576
3-(4-HYDROXYPHENYL)LACTATE (M-H)-
Hydroxyphenyllactic acid
ME209794
9378
-
3.728
182.0575
4-HYDROXYBENZOATE (M-H)-
4-Hydroxybenzoic acid
ME209797
135
-
4.108
138.0316
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME209796
3845
-
4.942
189.0409
BENZOATE (M-H)-
Benzoic acid
ME209802
243
-
4.966
122.0369
RIBOFLAVIN (M+CL)-
Riboflavin
ME209824
493570
-
7.632
376.1359
GIBBERELLIC ACID [ISTD] (M-H)-
Gibberellin A3
ME209811
6466
-
8.497
346.1414
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
SPERMIDINE (M+H)+
Spermidine
ME209898
1102
-
0.508
145.1575
L-ARGININE (M+NA)+
Arginine
ME209876
6322
-
0.635
174.1117
L-ARGININE (M+H)+
Arginine
ME209875
6322
-
0.651
174.1105
CITRULLINE (M+NA)+
Citrulline
ME209854
9750
-
0.658
175.095
NORADRENALINE (M+H)+
Xi-Norepinephrine
ME209883
951
-
0.662
169.0746
CARNITINE (M+H)+
Carnitine
ME209850
10917
-
0.663
161.1053
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
sn-Glycero-3-phosphocholine
ME209897
439285
-
0.663
257.1011
CHOLINE M+
Choline
ME209852
305
-
0.665
104.1069
FLUCYTOSINE (M+H)+
Flucytosine
ME209862
3366
-
0.667
129.0343
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+
-
ME209890
83228
-
0.668
162.1012
5-AMINOLEVULINATE (M+H)+
5-Amino-levulinic acid
ME209841
137
-
0.691
131.0578
TRANS-4-HYDROXYPROLINE (M+H)+
trans-4-Hydroxyproline
ME209902
5810
-
0.691
131.0587
GLUCOSE (M+NA)+
Glucose
ME209864
5793
-
0.705
180.0634
PROLINE (M+H)+
Proline
ME209892
145742
-
0.711
115.0628
CYTOSINE (M+H)+
Cytosine
ME209856
597
-
0.713
111.0429
5-AMINOPENTANOATE (M+H)+
5-Aminopentanoic acid
ME209842
138
-
0.72
117.0788
CYTIDINE (2M+H)+
Cytidine
ME209855
6175
-
0.892
243.084
GUANINE (M+H)+
Guanine
ME209867
764
-
0.923
151.0469
PIPECOLATE (M+H)+
Pipecolic acid
ME209889
849
-
0.95
129.0771
DEOXYCYTIDINE (2M+H)+
Deoxycytidine
ME209858
13711
-
0.995
227.0912
GUANOSINE 5'-PHOSPHATE (M+H)+
GMP
ME209868
6804
-
1.004
363.058
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (M+H)+
1-Aminocyclopropanecarboxylic acid
ME209832
5460234
-
1.019
101.0468
AZELAIC ACID (M+H)+[-H2O]
Azelaic acid
ME209846
2266
-
10.723
188.1024
AZELAIC ACID (M+NA)+
Azelaic acid
ME209847
2266
-
10.724
188.1065
LUMICHROME (M+NA)+
Lumichrome
ME209879
5326566
-
10.946
242.082
LUMICHROME (M+H)+
Lumichrome
ME209878
5326566
-
10.95
242.0813
CINNAMIC ACID (M+H)+[-H2O]
trans-Cinnamic acid
ME209853
444539
-
11.535
148.0522
5-OXOPROLINE (M+H)+
Pyroglutamic acid
ME209844
7405
-
1.155
129.043
JASMONIC ACID [ISTD] (M+NA)+
Jasmonic acid
ME209874
5281166
-
13.147
210.1254
GLUTATHIONE OXIDIZED (M+H2)+2
Glutathione
ME209865
65359
-
1.356
612.1522
TYROSINE (M+NA)+
Tyrosine
ME209904
6057
-
1.367
181.0716
3-HYDROXY-3-METHYLGLUTARATE (M+NA)+
3-Hydroxymethylglutaric acid
ME209837
1662
-
1.539
162.052
ISOLEUCINE (M+H)+
Isoleucine
ME209873
6306
-
1.581
131.0938
METHYL JASMONATE (M+H)+
Methyl jasmonate
ME209881
5281929
-
16.071
224.1386
DODECENOYLCARNITINE (*) II M+
CAR 12:1
ME209859
53481671
-
16.72
342.2661
PROPIONYLCARNITINE (*) (M+H)+
CAR 3:0
ME209893
107738
-
1.681
217.1302
2'-DEOXYGUANOSINE (M+H)+
Deoxyguanosine
ME209836
187790
-
1.8
267.0962
BILIVERDIN (M+H)+
Biliverdin
ME209848
5280353
-
18.633
582.2473
GLYCOCHOLATE (2M+H)+
Glycocholic acid
ME209866
10140
-
18.85
465.311
4-PYRIDOXATE (M+NA)+
4-Pyridoxic acid
ME209839
6723
-
1.901
183.0518
N-METHYL-L-GLUTAMATE (M+NA)+
N-Methyl-glutamic acid
ME209882
439377
-
1.914
161.0677
PROGESTERONE (M+H)+
Progesterone
ME209891
5994
-
19.603
314.2241
HYODEOXYCHOLATE (M+NA)+
Hyodeoxycholic acid
ME209870
5283820
-
20.109
392.2921
CHOLATE (M+NA)+
Cholic acid
ME209851
221493
-
20.325
408.2891
3-METHOXYTYROSINE (M+H)+
3-Methoxytyrosine
ME209838
9307
-
2.038
211.083
M-HYDROXYMANDELIC ACID (M+H)+[-H2O]
3-Hydroxymandelic acid
ME209880
86957
-
2.055
168.041
DEOXYCHOLIC ACID (M+NA)+
Deoxycholic acid
ME209857
222528
-
21.639
392.293
URSODIOL (M+NA)+
Ursodeoxycholic acid
ME209905
31401
-
21.681
392.293
EICOSENOYLCARNITINE (*) (M+H)+
CAR 20:1
ME209861
71464507
-
21.93
453.3775
EICOSANOYLCARNITINE (*) (M+H)+
CAR 20:0
ME209860
53477833
-
22.148
455.3947
16:0 LYSO PC (M+H)+
LPC 16:0
ME209834
460602
-
22.244
495.334
OLEIC ACID (M+NA)+
Oleic acid
ME209887
445639
-
22.55
282.2571
OLEIC ACID (M+H)+
Oleic acid
ME209886
445639
-
22.555
282.2543
OLEAMIDE (M+H)+
Oleamide
ME209885
5283387
-
22.635
281.2697
18:0 LYSO-PE (M+H)+
LPE 18:0
ME209835
9547068
-
22.664
481.3234
PROTOPORPHYRIN (M+H)+
Protoporphyrin
ME209894
4971
-
22.959
562.2605
BIS(2-ETHYLHEXYL)PHTHALATE (M+NA)+
Bis(2-ethylhexyl)phthalate
ME209849
8343
-
23.121
390.2776
PHENYLALANINE (M+H)+
Phenylalanine
ME209888
6140
-
2.403
165.0783
ALPHA-TOCOPHEROL (M+H)+
alpha-Tocopherol
ME209845
14985
-
24.488
430.3787
1-METHYLXANTHINE (M+NA)+
1-Methylxanthine
ME209833
80220
-
2.509
166.0518
THYMIDINE (M+NA)+
Thymidine
ME209901
5789
-
2.759
242.089
ISO-BUTYRYLCARNITINE (*) (M+H)+
CAR 3:0;2Me
ME209872
168379
-
2.871
231.1464
THEOBROMINE (M+NA)+
Theobromine
ME209900
5429
-
3.446
180.0628
TRYPTOPHAN (M+NA)+
Tryptophan
ME209903
6305
-
3.641
204.0896
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME209877
16217285
-
3.645
206.0856
ZEATIN [ISTD] (M+H)+
trans-Zeatin
ME209907
449093
-
3.91
219.1126
5-HYDROXYINDOLEACETATE (M+H)+
5-Hydroxyindoleacetic acid
ME209843
1826
-
4.295
191.0591
5'-METHYLTHIOADENOSINE (M+NA)+
5'-Methylthioadenosine
ME209840
439176
-
4.498
297.0895
XANTHURENIC ACID (M+H)+
Xanthurenic acid
ME209906
5699
-
4.58
205.0383
HOMOVANILLATE (M+H)+
Homovanillic acid
ME209869
1738
-
5.669
182.0574
RIBOFLAVIN (M+NA)+
Riboflavin
ME209896
493570
-
7.642
376.138
QUINOLIN-2-OL (M+NA)+
2-Hydroxyquinoline
ME209895
6038
-
7.783
145.053
SUBERIC ACID (M+NA)+
Suberic acid
ME209899
10457
-
8.233
174.092
INDOLE-3-ACETATE (M+H)+
Indoleacetic acid
ME209871
802
-
8.401
175.0639
GIBBERELLIC ACID [ISTD] (M+NA)+
Gibberellin A3
ME209863
6466
-
8.501
346.142
OCTENOYLCARNITINE (*) M+
CAR 8:1
ME209884
71464472
-
9.51
286.2019
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