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Return to study ST001692 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Acetyltryptophan
-
ME396639
-
-
116.2
247.1075
2-Quinolinecarboxylic acid
Quinaldic acid
ME396605
-
-
124.3
174.0549
Hexanoylcarnitine
CAR 6:0
ME396586
-
-
125
260.1856
N-Methyl-glutamate
N-Methyl-glutamic acid
ME396573
-
-
13.6
162.0761
Cadaverine
Cadaverine
ME396601
-
-
151.3
103.1233
Cystathionine
Cystathionine
ME396636
-
-
152.5
223.0748
Dihydrouracil (5 6)
Dihydrouracil
ME396657
-
-
170.3
115.0502
Spermidine
Spermidine
ME396569
-
-
17.5
146.1651
S-adenosylmethionine
S-Adenosylmethionine
ME396640
-
-
18
399.1442
Thiamine (B1)
Thiamine
ME396689
-
-
18.1
265.1116
Methylhistidine
Methylhistidine
ME396622
-
-
19
170.0924
Pirimicarb
Pirimicarb
ME396677
-
-
190.3
239.1486
Taurine
Taurine
ME396610
-
-
20.1
126.0219
Aminophenol (2 3 or 4)
-
ME396602
-
-
20.4
110.06
Serine
Serine
ME396606
-
-
20.4
106.0495
Carnitine
Carnitine
ME396580
-
-
20.5
162.1125
N-Acetylputrescine
N-Acetylputrescine
ME396604
-
-
20.5
131.1179
Uracil
Uracil
ME396593
-
-
20.6
113.035
Cytidine
Cytidine
ME396663
-
-
20.7
244.0927
1-Methylnicotinamide
1-Methyl nicotinamide
ME396681
-
-
20.9
137.071
Creatinine
Creatinine
ME396607
-
-
21.1
114.0661
Glutamine
Glutamine
ME396572
-
-
21.1
147.0761
Citrulline
Citrulline
ME396624
-
-
21.2
176.103
Betaine
Betaine
ME396579
-
-
21.3
118.0862
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME396585
-
-
21.3
258.1091
Cytosine
Cytosine
ME396656
-
-
21.4
112.0505
Methyladenosine
Methyladenosine
ME396665
-
-
21.4
282.1194
Pyridoxal (B6)
Pyridoxal
ME396683
-
-
21.5
168.0655
Acetylcholine
Acetylcholine
ME396643
-
-
21.6
146.1175
N-Acetylserine
N-Acetylserine
ME396617
-
-
21.6
148.0603
Trisaccharide (Raffinose)
-
ME396578
-
-
21.6
505.176
3-Methoxytyrosine
3-Methoxytyrosine
ME396634
-
-
21.8
212.0917
Threonine
Threonine
ME396609
-
-
21.8
120.0655
Acetylcarnitine
CAR 2:0
ME396582
-
-
21.9
204.1231
Phosphocholine
Choline phosphate
ME396581
-
-
21.9
184.0734
Tetrasaccharide (Glycogen Stachyose)
-
ME396642
-
-
22
667.2286
Urocanate
Urocanic acid
ME396614
-
-
22
139.0502
Guanine
Guanine
ME396662
-
-
22.1
152.0567
Aldosterone
Aldosterone
ME396652
-
-
222.5
361.2003
Proline
Proline
ME396608
-
-
22.3
116.0705
Homocysteine
Homocysteine
ME396613
-
-
22.4
136.0426
Pyrogluamate (Oxoproline)
-
ME396570
-
-
22.4
130.0499
Disaccharide (Lactose); Trehalose
-
ME396577
-
-
22.5
343.1233
Cystine
Cystine
ME396638
-
-
22.7
241.031
Nicotinamide (B3)
Niacinamide
ME396679
-
-
22.7
123.0552
Nicotinate (B3)
Nicotinic acid
ME396680
-
-
22.7
124.0393
Bilirubin
Bilirubin
ME396597
-
-
228.2
585.2707
Pipecolate
Pipecolic acid
ME396611
-
-
23
130.0862
Guanosine
Guanosine
ME396666
-
-
23.1
284.0989
Decanoylcarnitine
CAR 10:0
ME396645
-
-
231.2
316.248
Creatine Phosphate
Phosphocreatine
ME396633
-
-
23.2
212.043
Tyrosine
Tyrosine
ME396575
-
-
23.3
182.0812
Uridine
Uridine
ME396664
-
-
23.3
245.0769
Acetamidobutanoate
-
ME396616
-
-
23.4
146.0812
Acetylphenylalanine
N-Acetylphenylalanine
ME396631
-
-
23.5
208.0969
Serotonin
Serotonin
ME396625
-
-
23.8
177.1022
Propionylcarnitine
CAR 3:0
ME396583
-
-
24
218.1387
Methylhippurate
Methyl hippurate
ME396675
-
-
24.1
194.0812
Hypoxanthine
Hypoxanthine
ME396661
-
-
24.4
137.0457
Vitamin C (Ascorbate)
Vitamin C
ME396686
-
-
24.4
177.0393
LeuIso
-
ME396571
-
-
24.5
132.1019
Biliverdin
Biliverdin
ME396596
-
-
248
583.2546
Aspartate
Aspartic acid
ME396612
-
-
24.8
134.0448
Pyridoxate
4-Pyridoxic acid
ME396687
-
-
25.3
184.0603
Sphinganine
Sphinganine
ME396651
-
-
255
302.305
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME396576
-
-
25.6
221.092
Pyridoxamine
Pyridoxamine
ME396684
-
-
25.7
169.0971
Pyridoxine (B6)
Pyridoxine
ME396685
-
-
25.7
170.0812
Hydroxynicotinate
-
ME396682
-
-
25.9
140.0342
Pantothenic acid (B5)
Pantothenic acid
ME396688
-
-
25.9
220.1177
Methionine sulfoximine
Methionine sulfoximine
ME396626
-
-
26
181.0641
Aminohydroxybenzoate
-
ME396674
-
-
26.2
154.0499
Cytidine monophosphate
CMP
ME396667
-
-
26.2
324.0587
Dopamine
Dopamine
ME396619
-
-
26.2
154.0863
Epinephrine
Epinephrine
ME396627
-
-
26.4
184.0962
Sorbate
Sorbic acid
ME396671
-
-
26.4
113.0596
Diisopropylphthalate
-
ME396678
-
-
264.6
251.1276
MethyloxindoleIndolecarbinol
-
ME396618
-
-
27
148.0756
Adenosine monophosphate
AMP
ME396669
-
-
27.4
348.0702
Adenine
Adenine
ME396660
-
-
27.6
136.062
Butyrylcarnitine
CAR 4:0
ME396584
-
-
27.8
232.154
Kynurenine
Kynurenine
ME396632
-
-
27.8
209.0921
Uridine-5-Monophosphate
UMP
ME396668
-
-
27.9
325.0428
Acetyllysine
N(2)-Acetyllysine
ME396628
-
-
28
189.1233
Phenylalanine
Phenylalanine
ME396574
-
-
28.1
166.0863
Cortisol
Cortisol
ME396653
-
-
294.4
363.2158
LysoPC(16:0)
LPC 16:0
ME396589
-
-
295
496.3393
Ribose 5-phosphate
Ribose 5-phosphate
ME396641
-
-
298
231.0274
Ethanolamine Phosphate
Phosphoethanolamine
ME396672
-
-
29.9
142.0264
Quinoline
Quinoline
ME396603
-
-
30.3
130.0651
LysoPC(14:0)
LPC 14:0
ME396647
-
-
307.1
468.3081
Guanosine monophosphate
GMP
ME396670
-
-
31
364.0647
Menatetrenone - Vitamin MK4
-
ME396690
-
-
310.2
445.312
LysoPC(OP-16:1)
-
ME396648
-
-
311.6
480.3446
LysoPE(18:0)
LPE 18:0
ME396588
-
-
313.8
482.3217
Tartaric acid
Tartaric acid
ME396673
-
-
314.9
151.0242
Lauroylcarnitine
CAR 12:0
ME396646
-
-
315.8
344.2792
LysoPE(20:1)
LPE 20:1
ME396591
-
-
321
508.3387
LysoPE(20:3)
LPE 20:3
ME396590
-
-
323.3
504.3064
LysoPC(18:0)
LPC 18:0
ME396649
-
-
327.9
524.3693
Vitamin A (Retinol)
Retinol
ME396599
-
-
336.3
287.2367
Palmitoylcarnitine
CAR 16:0
ME396587
-
-
338.5
400.3419
Sphingosine
Sphingosine
ME396650
-
-
342
300.2895
25-hydroxycholesterol
25-Hydroxycholesterol
ME396654
-
-
357
403.3582
Xanthurenic acid
Xanthurenic acid
ME396630
-
-
36.4
206.0449
5-Methylcytosine
5-Methylcytosine
ME396659
-
-
380
126.0662
TG(50:3)
TG 50:3
ME396592
-
-
380.9
829.7252
Indoxyl sulfate
Indoxyl sulfate
ME396676
-
-
381.4
214.0171
Purine
Purine
ME396658
-
-
381.6
121.0508
Histidinol
L-Histidinol
ME396615
-
-
39.7
142.0975
Flavin adenine dinucleotide (FAD)
FAD
ME396691
-
-
401.4
786.1652
Lanosterol
Lanosterol
ME396655
-
-
407.5
427.3935
N-methyltryptamine
N-Methyltryptamine
ME396623
-
-
436.8
175.123
Kynurenic acid
Kynurenic acid
ME396629
-
-
43.8
190.0498
Melatonin
Melatonin
ME396637
-
-
46.4
233.1283
Methoxytyramine (3 or 4)
-
ME396621
-
-
49.9
168.1019
Caffeine
Caffeine
ME396595
-
-
50.1
195.0877
Riboflavin (B2)
Riboflavin
ME396600
-
-
55.1
377.1453
Octanoylcarnitine
CAR 8:0
ME396644
-
-
58.1
288.2168
Hippurate
Hippuric acid
ME396594
-
-
64.2
180.0656
Indole ethanol (Tryptophanol)
Tryptophanol
ME396620
-
-
70.6
162.0913
Biotin (B7)
Biotin
ME396598
-
-
72.1
245.095
N-Acetylserotonin
N-Acetylserotonin
ME396635
-
-
77.7
219.1128
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Phenylacetate
-
ME396705
-
-
116.7
135.0454
N-Acetylaspartate
N-Acetylaspartic acid
ME396731
-
-
14.5
174.041
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME396723
-
-
18.9
166.9752
Phosphoglycerate
Phosphoglyceric acid
ME396734
-
-
19.1
184.9859
Malic acid
Malic acid
ME396704
-
-
19.5
133.0144
Succinic acid
Succinic acid
ME396698
-
-
19.5
117.0195
Glutamate
Glutamic acid
ME396711
-
-
19.8
146.0457
FA 8:0 (Octanoate)
Caprylic acid
ME396707
-
-
199
143.1078
Suberate
Suberic acid
ME396729
-
-
19.9
173.0821
Citric acid; Isocitric acid
Citric acid
ME396738
-
-
20.1
191.0199
N-Acetylneuraminate
N-Acetylneuraminic acid
ME396760
-
-
20.1
308.0988
Pyruvate
Pyruvic acid
ME396692
-
-
20.2
87.0089
Azelaic acid
Azelaic acid
ME396735
-
-
20.3
187.0978
Urate
Uric acid
ME396724
-
-
20.3
167.0212
OH-FA10:0
-
ME396736
-
-
204.2
187.1341
Ketoglutarate/Oxoglutarate
-
ME396708
-
-
20.6
145.0144
OH-butyrate
-
ME396696
-
-
20.8
103.0402
2-Methylmaleate
Citraconic acid
ME396700
-
-
21
129.0195
(CisTrans)-Aconitate
-
ME396727
-
-
21
173.0093
Fumaric acid
Fumaric acid
ME396732
-
-
21
175.0249
Lactate
Lactic acid
ME396694
-
-
21.1
89.0245
Shikimic acid
Shikimic acid
ME396728
-
-
21.2
173.0457
Inosine
Inosine
ME396749
-
-
21.4
267.0722
Mevalonic acid
Mevalonic acid
ME396713
-
-
21.4
147.0664
Glutaric acid
Glutaric acid
ME396703
-
-
21.8
131.0351
Adipate
Adipic acid
ME396709
-
-
22.2
145.0508
N-Acetylglucosamine
N-Acetyl-D-glucosamine
ME396745
-
-
22.3
220.0827
Glucose
Glucose
ME396719
-
-
22.4
161.0457
Histidine
Histidine
ME396716
-
-
22.4
154.0624
Oxoadipic acid
Oxoadipic acid
ME396718
-
-
22.4
159.03
OH-FA12:0
-
ME396744
-
-
226.5
215.1654
FA 9:0
Pelargonic acid
ME396717
-
-
227.1
157.1235
2-Deoxyglucose
2-Deoxy-glucose
ME396721
-
-
22.8
163.0614
Gluconic acid
Gluconic acid
ME396740
-
-
22.9
195.0509
Dehydroshikimate
Dehydroshikimate
ME396726
-
-
23.3
171.0297
FA 4:0 (ButyrateIsobutyrate)
Butyric acid
ME396693
-
-
23.8
87.0452
Arginine
Arginine
ME396730
-
-
23.9
173.1045
Chenodeoxycholate (CDCA); Deoxycholate (CDA)
Chenodeoxycholic acid
ME396767
-
-
245.5
391.2854
Lysine
Lysine
ME396710
-
-
24.9
145.0984
PFNA
Perfluorononanoic acid
ME396768
-
-
250.4
462.9639
PFOS
Perfluorooctanesulfonic acid
ME396769
-
-
266.3
498.9308
Cinnamic acid
trans-Cinnamic acid
ME396712
-
-
27.4
147.0453
FA 5:0 (Valerate Isovalerate others)
Valeric acid
ME396695
-
-
27.4
101.0609
Caffeic acid
Caffeic acid
ME396733
-
-
28.3
179.0352
Homogentisate
Homogentisic acid
ME396725
-
-
28.6
167.0351
FA 12:0 (Laurate)
Lauric acid
ME396742
-
-
286.7
199.1704
KetoleucineKetoisoleucine
Ketoleucine
ME396701
-
-
28.7
129.0559
Vanillylmandelate
Vanillylmandelic acid
ME396741
-
-
30.7
197.0457
Retinoic acid
Retinoic acid
ME396755
-
-
310.8
299.2016
FA 20:5 (Eicosapentaenoic acid)
Eicosapentaenoic acid
ME396756
-
-
319.9
301.2165
FA 18:3 n-3 or n-6 (Linolenic acid)
Octadecatrienoic acid
ME396751
-
-
323.5
277.2175
FA 14:0 (Myristate)
Myristic acid
ME396746
-
-
325.2
227.2018
Docosahexaenoic acid (FA 22:6)
Docosahexaenoic acid
ME396763
-
-
327.8
327.2331
Hydroxyphenylpropionate
-
ME396722
-
-
33
165.0558
Tryptophan
Tryptophan
ME396743
-
-
33.4
203.0828
FA 16:1 (Palmitoleic)
Palmitoleic acid
ME396747
-
-
334.5
253.2173
FA 20:4 (Arachidonic acid)
Arachidonic acid
ME396758
-
-
337.7
303.233
FA 22:5 n-3 or n-5
-
ME396764
-
-
344.1
329.2477
FA 18:2 (Linoleic acid)
Linoleic acid
ME396752
-
-
345.4
279.2332
Acetylglutamate
N-Acetylglutamic acid
ME396737
-
-
353.5
188.0566
FA 20:3 (Homolinoleic acid)
Eicosatrienoic acid
ME396759
-
-
356.7
305.2487
Hydroxybenzoate
-
ME396706
-
-
36.2
137.0245
FA 16:0 (Palmitate)
Palmitic acid
ME396748
-
-
363.6
255.233
Benzoate
Benzoic acid
ME396699
-
-
364
121.0296
FA 22:4 (Docosatetraenoic acid)
Docosatetraenoic acid
ME396765
-
-
365
331.2636
MG(14:00:00:0)
-
ME396757
-
-
366.1
301.2385
FA 18:1 (Oleic acid)
Oleic acid
ME396753
-
-
370.5
281.2488
FA 17:0
Margaric acid
ME396750
-
-
386
269.2488
FA 18:0 (Stearic acid)
Stearic acid
ME396754
-
-
421.8
283.2643
FA 20:1 (Gondoic acid)
cis-Gondoic acid
ME396761
-
-
424.8
309.28
MG(18:10:00:0)
-
ME396766
-
-
425.7
355.2855
FA 20:0 (Arachidic acid)
Arachidic acid
ME396762
-
-
429.4
311.2958
FA 6:0 (Caproate Isocaproate others)
Caproic acid
ME396697
-
-
44.1
115.0766
Coumarate
cis-p-Coumaric acid
ME396720
-
-
44.4
163.0403
Hydrocinnamic acid
Hydrocinnamic acid
ME396714
-
-
49.5
149.0609
Dihydroxybenzoate
-
ME396715
-
-
63.8
153.0193
Ferulic acid
trans-Ferulic acid
ME396739
-
-
86.8
193.0508
FA 7:0
Heptylic acid
ME396702
-
-
90.4
129.0923
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