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Return to study ST000742 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
BETA-ALANINE (M-H)-
beta-Alanine
ME205544
239
-
0.7
89.0474
BENZOIC ACID (M-H)-
Benzoic acid
ME205543
243
-
4.982
122.0363
SERINE (M-H)-
Serine
ME205582
617
-
0.623
105.0424
HYPOXANTHINE (M-H)-
Hypoxanthine
ME205559
790
-
1.139
136.0382
OXALOACETIC ACID (M-H)-[-H2O]
Oxaloacetic acid
ME205574
970
-
0.596
132.0035
PALMITIC ACID (M-H)-
Palmitic acid
ME205576
985
-
22.869
256.2406
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M-H)-
Phosphoethanolamine
ME205539
1015
-
0.646
141.0181
ETHANOLAMINE PHOSPHATE (M-H)-
Phosphoethanolamine
ME205552
1015
-
0.668
141.0182
SUCCINIC ACID (M-H)-
Succinic acid
ME205586
1110
-
1.318
118.0266
TAURINE (M-H)-
Taurine
ME205588
1123
-
0.64
125.0144
URIC ACID (M-H)-
Uric acid
ME205591
1175
-
1.061
168.0282
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-
3-Hydroxymethylglutaric acid
ME205540
1662
-
1.622
162.0527
KYNURENIC ACID (M-H)-
Kynurenic acid
ME205562
3845
-
4.956
189.0423
LAURIC ACID (M-H)-
Lauric acid
ME205564
3893
-
21.788
200.177
STEARIC ACID (M-H)-
Stearic acid
ME205585
5281
-
23.207
284.2719
RIBOSE (M+CL)-
Ribose
ME205581
5779
-
0.697
150.0513
THYMIDINE (M-H)-
Thymidine
ME205589
5789
-
2.753
242.0896
GLUCOSE (M+CL)-
Glucose
ME205553
5793
-
0.639
180.0654
SUCROSE (M+CL)-
Sucrose
ME205587
5988
-
0.7
342.1152
INOSINE (M-H)-
Inosine
ME205560
6021
-
1.853
268.0813
URIDINE (M-H)-
Uridine
ME205593
6029
-
1.377
244.0695
URIDINE (M+HCOO)-
Uridine
ME205592
6029
-
1.378
244.069
URIDINE-5-MONOPHOSPHATE #2 (M-H)-
UMP
ME205594
6030
-
0.874
324.0329
URIDINE-5-MONOPHOSPHATE (M-H)-
UMP
ME205595
6030
-
0.865
324.0347
LEUCINE (M-H)-
Leucine
ME205565
6106
-
1.57
131.0939
MANNITOL (M-H)-
Mannitol
ME205567
6251
-
0.664
182.0771
PANTOTHENIC ACID (M-H)-
Pantothenic acid
ME205578
6613
-
3.248
219.1106
GUANOSINE (M-H)-
Guanosine
ME205556
6802
-
1.865
283.0911
GUANOSINE 5'-PHOSPHATE (M-H)-
GMP
ME205557
6804
-
1.012
363.057
BEHENIC ACID (M-H)-
Behenic acid
ME205542
8215
-
24.11
340.3334
TRIACONTANOIC ACID (M-H)-
Melissic acid
ME205590
10471
-
28.776
452.4589
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+CL)-
CDP-choline
ME205547
13804
-
0.703
488.1073
GLUTAMIC ACID (M-H)-
Glutamic acid
ME205555
33032
-
0.656
147.0533
N-ACETYL-ASPARTIC ACID (M-H)-
N-Acetylaspartic acid
ME205568
65065
-
1.002
175.0479
N-ACETYL-L-PHENYLALANINE (M-H)-
N-Acetylphenylalanine
ME205571
74839
-
7.702
207.0893
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)-
p-Acetamidophenylglucuronide
ME205575
83944
-
2.283
327.095
GLUCURONIC ACID (M-H)-
Glucuronic acid
ME205554
94715
-
0.664
194.0407
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M-H)-
Anserine
ME205545
112072
-
0.627
240.1215
EPIBRASSINOLIDE [ISTD] (M+CL)-
24-epi-Brassinolide
ME205550
115196
-
19.835
480.346
EPIBRASSINOLIDE [ISTD] (M+HCOO)-
24-epi-Brassinolide
ME205551
115196
-
19.837
480.3461
RAFFINOSE (M+CL)-
Raffinose
ME205579
439242
-
0.706
504.167
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-
sn-Glycero-3-phosphocholine
ME205583
439285
-
0.669
257.1018
SN-GLYCERO-3-PHOSPHOCHOLINE (M+HCOO)-
sn-Glycero-3-phosphocholine
ME205584
439285
-
0.701
257.1005
DEHYDROASCORBIC ACID (M+CL)-
Dehydroascorbic acid
ME205548
440667
-
0.7
174.018
N-ACETYLNEURAMINIC ACID (M-H)-
N-Acetylneuraminic acid
ME205572
444885
-
0.687
309.1026
ARACHIDONIC ACID (M-H)-
Arachidonic acid
ME205541
444899
-
22.73
304.2407
DOCOSAHEXAENOIC ACID (M-H)-
Docosahexaenoic acid
ME205549
445580
-
22.713
328.2408
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME205577
445638
-
22.608
254.2247
N-ACETYL-D-GLUCOSAMINE (M+CL)-
N-Acetylglucosamine
ME205569
446101
-
0.689
221.0886
N-ACETYL-DL-METHIONINE (M-H)-
N-Acetylmethionine
ME205570
448580
-
4.042
191.0613
16:0 LYSO PC (M+HCOO)-
LPC 16:0
ME205536
460602
-
22.261
495.3322
RIBOFLAVIN (M+HCOO)-
Riboflavin
ME205580
493570
-
7.655
376.1388
LINOLEIC ACID (M-H)-
Linoleic acid
ME205566
5280450
-
22.758
280.2403
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME205546
5282768
-
23.278
310.2872
HYODEOXYCHOLIC ACID (M-H)-
Hyodeoxycholic acid
ME205558
5283820
-
22.836
392.2949
ISOCITRIC ACID (M-H)-
Isocitric acid
ME205561
5318532
-
0.697
192.0267
OPHTHALMIC ACID (M-H)-
Ophthalmic acid
ME205573
7018721
-
1.224
289.1265
18:0 LYSO-PE (M-H)-
LPE 18:0
ME205538
9547068
-
22.702
481.3164
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME205563
16217285
-
3.666
206.0836
16:0-18:0 PC (M+CL)-
PC 16:0_18:0
ME205537
18631368
-
25.571
761.6046
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
5-AMINOPENTANOATE (M+H)+
5-Aminopentanoic acid
ME205606
138
-
0.726
117.079
L-[15N]ANTHRANILIC ACID [ISTD] (M+H)+
2-Aminobenzoic acid
ME205644
227
-
5.448
138.0463
CHOLINE M+
Choline
ME205618
305
-
0.658
104.1063
GUANINE (M+H)+
Guanine
ME205634
764
-
0.909
151.0479
HISTAMINE (M+H)+
Histamine
ME205638
774
-
0.549
111.0796
HYPOXANTHINE (M+H)+
Hypoxanthine
ME205639
790
-
1.131
136.0385
NICOTINAMIDE (M+H)+
Niacinamide
ME205655
936
-
1.09
122.0482
CHOLINE PHOSPHATE (M+H)+
Choline phosphate
ME205619
1014
-
0.667
183.0639
CHOLINE PHOSPHATE (M+NA)+
Choline phosphate
ME205620
1014
-
0.684
183.0648
SARCOSINE (M+H)+
Sarcosine
ME205663
1088
-
0.694
89.0477
SPERMIDINE (M+H)+
Spermidine
ME205665
1102
-
0.564
145.1575
TAURINE (M+H)+
Taurine
ME205667
1123
-
0.651
125.0141
TAURINE (M+NA)+
Taurine
ME205668
1123
-
0.634
125.0135
XANTHINE (M+H)+
Xanthine
ME205674
1188
-
1.322
152.033
ACETAMINOPHEN (TN TYLENOL) (M+NA)+
Acetaminophen
ME205608
1983
-
3.099
151.063
AZELAIC ACID (M+H)+[-H2O]
Azelaic acid
ME205612
2266
-
10.734
188.1034
N-METHYL-D-ASPARTIC ACID (M+H)+
N-Methyl-D-aspartic acid
ME205653
4376
-
0.662
147.0525
N-METHYL-D-ASPARTIC ACID (M+NA)+
N-Methyl-D-aspartic acid
ME205654
4376
-
0.659
147.0534
GLUCOSE (M+NA)+
Glucose
ME205631
5793
-
0.645
180.0626
ASPARTATE (M+H)+
Aspartic acid
ME205610
5960
-
0.643
133.0356
ASPARTATE (M+NA)+
Aspartic acid
ME205611
5960
-
0.632
133.0372
LYSINE (M+H)+
Lysine
ME205646
5962
-
0.558
146.1055
SUCROSE (M+NA)+
Sucrose
ME205666
5988
-
0.719
342.1162
INOSINE (M+NA)+
Inosine
ME205640
6021
-
1.848
268.0807
URIDINE (M+H)+
Uridine
ME205672
6029
-
1.365
244.069
TYROSINE (M+H)+
Tyrosine
ME205671
6057
-
1.36
181.0728
LEUCINE (M+NA)+
Leucine
ME205645
6106
-
1.564
131.0936
METHIONINE (M+H)+
Methionine
ME205647
6137
-
1.012
149.0509
PHENYLALANINE (M+H)+
Phenylalanine
ME205659
6140
-
2.436
165.078
VALINE (M+H)+
Valine
ME205673
6287
-
0.913
117.0789
TRYPTOPHAN (M+NA)+
Tryptophan
ME205670
6305
-
3.654
204.0911
ISOLEUCINE (M+H)+
Isoleucine
ME205641
6306
-
1.581
131.0946
L-ARGININE (M+H)+
Arginine
ME205642
6322
-
0.628
174.1111
PANTOTHENATE (M+H)+
Pantothenic acid
ME205658
6613
-
3.245
219.1107
GUANOSINE (M+H)+
Guanosine
ME205635
6802
-
1.859
283.0916
GUANOSINE 5'-PHOSPHATE (M+H)+
GMP
ME205636
6804
-
1.004
363.0562
5-OXOPROLINE (M+H)+
Pyroglutamic acid
ME205607
7405
-
1.198
129.0426
CITRULLINE (M+H)+
Citrulline
ME205621
9750
-
0.666
175.0936
CITRULLINE (M+NA)+
Citrulline
ME205622
9750
-
0.71
175.0979
CARNITINE (M+H)+
Carnitine
ME205617
10917
-
0.666
161.1033
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+H)+
CDP-choline
ME205626
13804
-
0.714
488.1041
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+
CDP-choline
ME205627
13804
-
0.704
488.1082
4-ACETAMIDOBUTANOATE (M+NA)+
4-Acetamidobutanoic acid
ME205605
18189
-
1.738
145.0735
GLUTAMATE (M+H)+[-H2O]
Glutamic acid
ME205632
33032
-
0.649
147.0521
3-AMINOISOBUTANOATE (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME205603
64956
-
1.757
103.0633
N-ACETYL-L-ASPARTIC ACID (M+H)+
N-Acetylaspartic acid
ME205651
65065
-
0.998
175.0478
N-ACETYL-L-ASPARTIC ACID (M+NA)+
N-Acetylaspartic acid
ME205652
65065
-
0.998
175.0478
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]
25-Hydroxycholesterol
ME205602
65094
-
22.756
402.3488
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME205650
65249
-
0.782
147.0534
GLUTATHIONE OXIDIZED (M+H)+
Glutathione
ME205633
65359
-
1.379
612.1514
O-PHOSPHOSERINE (M+NA)+
DL-O-Phosphoserine
ME205656
68841
-
0.653
185.0089
3-METHYLHISTAMINE (M+H)+
3-Methylhistamine
ME205604
69520
-
0.563
125.0951
RAC-GLYCEROL 1-MYRISTATE (M+NA)+
MG 14:0
ME205660
79050
-
22.166
302.2467
1-METHYLXANTHINE (M+H)+
1-Methylxanthine
ME205596
80220
-
2.514
166.0483
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+
p-Acetamidophenylglucuronide
ME205657
83944
-
2.277
327.0964
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+
Anserine
ME205613
112072
-
0.63
240.1205
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+
Anserine
ME205614
112072
-
0.625
240.1202
EPIBRASSINOLIDE [ISTD] (M+NA)+
24-epi-Brassinolide
ME205628
115196
-
19.825
480.346
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+
gamma-Glutamylcysteine
ME205629
123938
-
1.005
250.0624
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O]
gamma-Glutamylcysteine
ME205630
123938
-
1.008
250.0597
BUTYRYLCARNITINE (*) (M+H)+
CAR 4:0
ME205616
213144
-
2.947
231.1472
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+
S-Adenosylhomocysteine
ME205662
439155
-
1.558
384.1212
CYSTATHIONINE (M+H)+
Cystathionine
ME205623
439258
-
0.638
222.0644
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
sn-Glycero-3-phosphocholine
ME205664
439285
-
0.663
257.1022
N-ACETYL-DL-METHIONINE (M+H)+
N-Acetylmethionine
ME205648
448580
-
4.037
191.0617
N-ACETYL-DL-METHIONINE (M+NA)+
N-Acetylmethionine
ME205649
448580
-
4.039
191.0625
16:0 LYSO PC (M+NA)+
LPC 16:0
ME205600
460602
-
22.259
495.3324
RIBOFLAVIN (M+H)+
Riboflavin
ME205661
493570
-
7.644
376.1394
HEXANOYLCARNITINE (*) M+
CAR 6:0
ME205637
3246939
-
7.119
260.1864
BILIVERDIN (M+H)+
Biliverdin
ME205615
5280353
-
18.663
582.249
ALPHA-LINOLENIC ACID (M+NA)+
alpha-Linolenic acid
ME205609
5280934
-
22.87
278.2231
1-OLEOYL-RAC-GLYCEROL (M+H)+
MG 18:1
ME205597
5283468
-
22.681
356.2931
1-OLEOYL-RAC-GLYCEROL (M+H)+[-H2O]
MG 18:1
ME205598
5283468
-
22.663
356.293
1-OLEOYL-RAC-GLYCEROL (M+NA)+
MG 18:1
ME205599
5283468
-
22.722
356.2932
CYSTINE (M+H)+
Cystine
ME205624
6857538
-
0.636
240.0227
CYSTINE (M+NA)+
Cystine
ME205625
6857538
-
0.679
240.0274
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME205643
16217285
-
3.66
206.0844
16:0-18:0 PC (M+NA)+
PC 16:0_18:0
ME205601
18631368
-
25.48
761.5876
TETRADECENOYLCARNITINE (*) M+
CAR 14:1
ME205669
22833575
-
18.9
370.2922
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