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Return to study ST002536 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
cyclohexylamine
Cyclohexylamine
ME614492
-
-
6.20
100.1123
cadaverine
Cadaverine
ME614453
-
-
9.01
103.1232
dimethylglycine
Dimethylglycine
ME614499
-
-
8.25
104.0707
GABA
gamma-Aminobutyric acid
ME614502
-
-
7.27
104.0707
2-aminoisobutyric acid
Aminoisobutyric acid
ME614412
-
-
7.49
104.0708
choline
Choline
ME614486
-
-
7.94
104.1071
serine
Serine
ME614576
-
-
7.44
106.0500
hypotaurine
Hypotaurine
ME614518
-
-
7.76
110.0273
cytosine
Cytosine
ME614496
-
-
5.61
112.0507
histamine
Histamine
ME614513
-
-
8.86
112.0872
creatinine
Creatinine
ME614491
-
-
6.22
114.0666
proline
Proline
ME614566
-
-
7.84
116.0708
guanidinoacetic acid
Guanidoacetic acid
ME614509
-
-
7.63
118.0613
betaine
Betaine
ME614448
-
-
8.64
118.0863
valine
Valine
ME614592
-
-
7.18
118.0865
threonine
Threonine
ME614582
-
-
7.42
120.0656
trimethylbenzene
Trimethylbenzene
ME614587
-
-
1.97
121.1015
niacinamide
Niacinamide
ME614551
-
-
3.55
123.0558
taurine
Taurine
ME614580
-
-
5.87
126.0223
1-methylhistamine
1-Methylhistamine
ME614410
-
-
9.23
126.1027
3-methylhistamine
3-Methylhistamine
ME614418
-
-
9.55
126.1029
valine-d8
Valine
ME614406
-
-
7.19
126.1369
imidazoleacetic acid
Imidazoleacetic acid
ME614521
-
-
7.81
127.0505
pyroglutamic acid
Pyroglutamic acid
ME614573
-
-
6.44
130.0498
pipecolic acid
Pipecolic acid
ME614563
-
-
7.69
130.0865
N-methylproline
N-Methyl-proline
ME614553
-
-
8.31
130.0866
metformin
Metformin
ME614530
-
-
6.97
130.1093
N-acetylputrescine
N-Acetylputrescine
ME614547
-
-
7.65
131.1180
agmatine
Agmatine
ME614435
-
-
8.83
131.1294
N-acetylalanine
N-Acetylalanine
ME614542
-
-
3.70
132.0656
hydroxyproline
Hydroxyproline
ME614517
-
-
7.66
132.0657
beta-guanidinopropionic acid
3-Guanidinopropanoic acid
ME614447
-
-
7.22
132.0770
creatine
Creatine
ME614490
-
-
8.05
132.0771
isoleucine
Isoleucine
ME614523
-
-
6.87
132.1022
leucine
Leucine
ME614526
-
-
6.75
132.1022
N-carbamoyl-beta-alanine
Ureidopropionic acid
ME614549
-
-
3.91
133.0607
asparagine
Asparagine
ME614443
-
-
7.69
133.0608
gly-gly
Gly-Gly
ME614508
-
-
8.04
133.0610
ornithine
Ornithine
ME614556
-
-
8.97
133.0973
aspartate
Aspartic acid
ME614444
-
-
7.74
134.0451
homocysteine
Homocysteine
ME614516
-
-
6.82
136.0429
hypoxanthine
Hypoxanthine
ME614519
-
-
4.59
137.0460
1-methylnicotinamide
1-Methyl nicotinamide
ME614411
-
-
7.89
137.0710
trigonelline
Trigonelline
ME614584
-
-
8.56
138.0552
urocanic acid
Urocanic acid
ME614591
-
-
4.28
139.0507
imidazole propionate
Imidazole propanoate
ME614520
-
-
7.19
141.0664
ectoine
Ectoine
ME614501
-
-
8.62
143.0819
proline betaine
Proline betaine
ME614567
-
-
8.90
144.1023
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME614420
-
-
3.29
146.0811
4-guanidinobutanoic acid
4-Guanidinobutanoic acid
ME614421
-
-
6.99
146.0930
butyrobetaine
3-Dehydroxycarnitine
ME614452
-
-
8.42
146.1177
spermidine
Spermidine
ME614579
-
-
10.18
146.1655
glutamine
Glutamine
ME614505
-
-
7.79
147.0763
lysine
Lysine
ME614529
-
-
9.11
147.1128
glutamate
Glutamic acid
ME614504
-
-
7.39
148.0604
methionine
Methionine
ME614531
-
-
6.82
150.0587
S-methyl-L-cysteine-S-oxide
S-Methylcysteine S-oxide
ME614577
-
-
8.33
152.0387
guanine
Guanine
ME614510
-
-
5.20
152.0570
acetaminophen
Acetaminophen
ME614430
-
-
1.97
152.0709
"6,8-dihydroxypurine"
6,8-Dihydroxypurine
ME614427
-
-
4.11
153.0408
xanthine
Xanthine
ME614594
-
-
3.57
153.0411
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME614536
-
-
4.11
153.0661
histidine
Histidine
ME614514
-
-
8.97
156.0768
allantoin
Allantoin
ME614438
-
-
3.35
159.0512
2-aminooctanate
-
ME614413
-
-
6.25
160.1335
ala-ala
Ala-Ala
ME614436
-
-
7.66
161.0924
carnitine
Carnitine
ME614455
-
-
8.49
162.1127
5-hydroxylysine
5-Hydroxylysine
ME614424
-
-
9.05
163.1080
pterin
Pterin
ME614569
-
-
4.53
164.0569
methionine sulfoxide
Methionine sulfoxide
ME614532
-
-
8.38
166.0538
1-methylguanine
1-Methylguanine
ME614408
-
-
5.07
166.0727
7-Methylguanine
7-Methylguanine
ME614428
-
-
5.50
166.0727
phenylalanine
Phenylalanine
ME614561
-
-
6.51
166.0866
7-methylxanthine
7-Methylxanthine
ME614429
-
-
3.20
167.0571
urate
Uric acid
ME614590
-
-
4.08
169.0362
pyridoxamine
Pyridoxamine
ME614571
-
-
9.10
169.0951
pyridoxine
Pyridoxine
ME614572
-
-
5.84
170.0814
3-methylhistidine
3-Methylhistidine
ME614419
-
-
9.49
170.0929
pro-gly
Pro-Gly
ME614565
-
-
8.21
173.0925
phenylalanine-d8
Phenylalanine
ME614405
-
-
6.52
174.1371
N-acetylornithine
N-Acetylornithine
ME614545
-
-
8.17
175.1084
arginine
Arginine
ME614441
-
-
8.87
175.1192
"N6,N6-dimethyllysine"
N(6),N(6)-Dimethyl-lysine
ME614539
-
-
9.91
175.1444
N-acetylaspartic acid
N-Acetylaspartic acid
ME614543
-
-
4.31
176.0554
citrulline
Citrulline
ME614487
-
-
8.11
176.1032
5-hydroxytryptophol
5-Hydroxytryptophol
ME614426
-
-
1.82
178.0866
cys-gly
Cys-Gly
ME614493
-
-
7.66
179.0488
hippurate
Hippuric acid
ME614512
-
-
2.55
180.0659
tyrosine
Tyrosine
ME614589
-
-
6.61
182.0813
phosphocholine
Choline phosphate
ME614562
-
-
10.60
184.0738
N1-acetylspermidine
N1-Acetylspermidine
ME614534
-
-
9.47
188.1760
N6-acetyllysine
N6-Acetyllysine
ME614541
-
-
8.10
189.1234
leu-gly
Leu-Gly
ME614527
-
-
7.25
189.1238
NMMA
Targinine
ME614554
-
-
9.06
189.1346
homoarginine
Homoarginine
ME614515
-
-
8.91
189.1350
"N6,N6,N6-trimethyllysine"
N-6-Trimethyllysine
ME614540
-
-
10.82
189.1599
kynurenic acid
Kynurenic acid
ME614524
-
-
5.08
190.0504
N-acetylmethionine
N-Acetylmethionine
ME614544
-
-
3.40
192.0689
phenylacetylglycine
Phenylacetylglycine
ME614560
-
-
2.68
194.0814
caffeine
Caffeine
ME614454
-
-
2.75
195.0882
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME614422
-
-
2.57
196.0612
5-acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME614423
-
-
5.06
199.0829
DMGV
DMGV
ME614500
-
-
7.66
202.1190
ADMA
Dimethylarginine
ME614434
-
-
9.42
203.1508
SDMA
Symmetric dimethylarginine
ME614575
-
-
9.34
203.1508
C2 carnitine
CAR 2:0
ME614456
-
-
8.34
204.1235
tryptophan
Tryptophan
ME614588
-
-
6.30
205.0974
pantothenol
Pantothenol
ME614558
-
-
3.62
206.1397
N-acetylphenylalanine
N-Acetylphenylalanine
ME614546
-
-
3.44
208.0977
N-alpha-acetylarginine
Pelargonidin
ME614548
-
-
7.89
217.1294
C3 carnitine
CAR 3:0
ME614457
-
-
8.01
218.1389
pantothenate
Pantothenic acid
ME614557
-
-
2.99
220.1179
5-hydroxytryptophan
5-Hydroxy-tryptophan
ME614425
-
-
6.31
221.0923
acetyl-galactosamine
N-Acetylgalactosamine
ME614432
-
-
5.19
222.0975
carnosine
Carnosine
ME614484
-
-
9.47
227.1142
myristoleate
Myristoleic acid
ME614533
-
-
1.76
227.2012
2'-deoxycytidine
Deoxycytidine
ME614415
-
-
5.74
228.0984
C4 carnitine
CAR 4:0
ME614460
-
-
7.70
232.1547
biopterin
Biopterin
ME614451
-
-
4.94
238.0939
cystine
Cystine
ME614494
-
-
8.84
241.0315
anserine
Anserine
ME614440
-
-
10.13
241.1294
cytidine
Cytidine
ME614495
-
-
5.61
244.0933
C5:1 carnitine
CAR 5:1
ME614463
-
-
7.58
244.1550
pseudouridine
Pseudouridine
ME614568
-
-
3.81
245.0774
N1-acetylspermine
N1-Acetylspermine
ME614535
-
-
10.55
245.2341
C5 carnitine
CAR 5:0
ME614462
-
-
7.49
246.1705
C3-DC carnitine
CAR DC3:0
ME614458
-
-
9.15
248.1134
C4-OH carnitine
CAR 4:0;OH
ME614461
-
-
8.53
248.1495
gamma-glu-cys
gamma-Glutamylcysteine
ME614503
-
-
7.67
251.0700
2'-deoxyadenosine
Deoxyadenosine
ME614414
-
-
4.97
252.1094
neopterin
Neopterin
ME614550
-
-
5.55
254.0888
alpha-glycerophosphocholine
sn-Glycero-3-phosphocholine
ME614439
-
-
10.12
258.1100
N-lauroylglycine
NAGly 12:0
ME614552
-
-
2.33
258.2069
C6 carnitine
CAR 6:0
ME614465
-
-
7.27
260.1865
C3-DC-CH3 carnitine
CAR 3:0;2Me
ME614459
-
-
8.26
262.1286
thiamine
Thiamine
ME614581
-
-
9.30
265.1115
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME614559
-
-
4.51
265.1191
atenolol
Atenolol
ME614445
-
-
6.62
267.1714
adenosine
Adenosine
ME614433
-
-
4.80
268.1043
deoxyguanosine
Deoxyguanosine
ME614497
-
-
5.14
268.1046
inosine
Inosine
ME614522
-
-
4.68
269.0883
vitamin A
Retinol
ME614593
-
-
1.59
269.2269
C7 carnitine
CAR 7:0
ME614466
-
-
7.19
274.2018
C5-DC carnitine
CAR DC5:0
ME614464
-
-
8.03
276.1441
L-alpha-glutamyl-L-lysine
Glu-Lys
ME614525
-
-
9.45
276.1558
1-methyladenosine
1-Methyladenosine
ME614407
-
-
7.43
282.1200
guanosine
Guanosine
ME614511
-
-
5.07
284.0994
xanthosine
Xanthosine
ME614595
-
-
4.10
285.0830
N4-acetylcytidine
N4-Acetylcytidine
ME614538
-
-
4.08
286.1041
piperine
Piperine
ME614564
-
-
1.93
286.1440
diacetylspermine
N1,N12-Diacetylspermine
ME614498
-
-
9.95
287.2448
C8 carnitine
CAR 8:0
ME614467
-
-
7.08
288.2178
argininosuccinate
Argininosuccinic acid
ME614442
-
-
9.10
291.1303
1-methylguanosine
1-Methylguanosine
ME614409
-
-
4.86
298.1147
2-methylguanosine
2-Methylguanosine
ME614416
-
-
5.06
298.1150
sphingosine
Sphingosine
ME614655
-
-
1.96
300.2907
threo-sphingosine
-
ME614656
-
-
5.61
300.2908
C9 carnitine
CAR 9:0
ME614468
-
-
6.97
302.2333
sphinganine
Sphinganine
ME614658
-
-
5.62
302.3062
"N2,N2-dimethylguanosine"
N2,N2-Dimethylguanosine
ME614537
-
-
5.13
312.1305
3-(N-acetyl-L-cystein-S-yl) acetaminophen
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
ME614417
-
-
4.90
313.0864
C10 carnitine
CAR 10:0
ME614469
-
-
6.90
316.2493
phytosphingosine
Phytosphingosine
ME614657
-
-
5.71
318.3008
linoleoyl ethanolamide
Linoleoyl-EA
ME614528
-
-
1.95
324.2907
quinine
Quinine
ME614574
-
-
6.11
325.1922
acetaminophen glucuronide
p-Acetamidophenylglucuronide
ME614431
-
-
5.34
328.1034
oleoyl glycine
NAGly 18:1(9Z)
ME614555
-
-
1.96
340.2851
C12:1 carnitine
CAR 12:1
ME614471
-
-
6.77
342.2651
C12 carnitine
CAR 12:0
ME614470
-
-
6.74
344.2806
cortisone
Cortisone
ME614489
-
-
1.97
361.2009
cortisol
Cortisol
ME614488
-
-
1.97
363.2171
C-glycosyltryptophan
C-Glycosyltryptophan
ME614485
-
-
6.90
367.1513
C14:2 carnitine
CAR 14:2
ME614474
-
-
6.65
368.2805
C14:1 carnitine
CAR 14:1
ME614473
-
-
6.61
370.2961
C14 carnitine
CAR 14:0
ME614472
-
-
6.61
372.3117
solanidine
Solanidine
ME614578
-
-
5.70
398.3425
C16 carnitine
CAR 16:0
ME614475
-
-
6.50
400.3431
C16-OH carnitine
CAR 16:0;OH
ME614476
-
-
6.92
416.3377
C18:2 carnitine
CAR 18:2
ME614480
-
-
6.46
424.3429
C18:1 carnitine
CAR 18:1
ME614478
-
-
6.41
426.3586
C18 carnitine
CAR 18:0
ME614477
-
-
6.39
428.3746
C18:1-OH carnitine
CAR 18:1;OH
ME614479
-
-
6.85
442.3535
C20:4 carnitine
CAR 20:4
ME614482
-
-
6.36
448.3430
glycodeoxycholate/glycochenodeoxycholate
Glycodeoxycholic acid
ME614507
-
-
4.14
450.3231
C16:0 LPE
LPE 16:0
ME614614
-
-
6.15
454.2936
C20 carnitine
CAR 20:0
ME614481
-
-
6.32
456.4060
C14:0 LPC
LPC 14:0
ME614596
-
-
7.69
468.3099
C18:3 LPE
LPE 18:3
ME614615
-
-
6.15
476.2758
C18:2 LPE
LPE 18:2
ME614616
-
-
6.06
478.2940
C18:1 LPE
LPE 18:1
ME614617
-
-
6.10
480.3095
C16:1 LPC plasmalogen
LPC P-16:1 or LPC O-16:2
ME614611
-
-
7.41
480.3462
C18:0 LPE
LPE 18:0
ME614618
-
-
6.08
482.3249
C18:0 LPE B
LPE 18:0
ME614619
-
-
7.63
482.3251
C16:1 LPC
LPC 16:1
ME614597
-
-
7.60
494.3255
C16:0 LPC
LPC 16:0
ME614598
-
-
7.56
496.3408
C20:4 LPE
LPE 20:4
ME614620
-
-
6.00
502.2935
C20:1 LPE
LPE 20:1
ME614621
-
-
7.55
508.3404
C18:1 LPC plasmalogen minor A
-
ME614613
-
-
7.30
508.3772
C18:1 LPC plasmalogen
LPC P-18:0 or LPC O-18:1
ME614612
-
-
7.60
508.3773
C20:0 LPE
LPE 20:0
ME614622
-
-
7.51
510.3569
C18:3 LPC
LPC 18:3
ME614599
-
-
7.56
518.3231
C18:2 LPC
LPC 18:2
ME614600
-
-
7.46
520.3410
C18:1 LPC
LPC 18:1
ME614601
-
-
7.49
522.3567
C18:0 LPC
LPC 18:0
ME614602
-
-
7.46
524.3724
C22:6 LPE
LPE 22:6
ME614623
-
-
5.98
526.2939
C16:0 Ceramide (d18:1)
Cer 18:1;O2/16:0
ME614659
-
-
1.86
538.5204
C26 carnitine
CAR 26:0
ME614483
-
-
6.13
540.5008
C20:5 LPC
LPC 20:5
ME614603
-
-
7.54
542.3234
C20:4 LPC
LPC 20:4
ME614604
-
-
7.38
544.3405
C20:3 LPC
LPC 20:3
ME614605
-
-
7.44
546.3547
C20:1 LPC
LPC 20:1
ME614606
-
-
7.40
550.3878
C22:6 LPC
LPC 22:6
ME614607
-
-
7.35
568.3405
C22:5 LPC
LPC 22:5
ME614608
-
-
7.35
570.3566
C22:4 LPC
LPC 22:4
ME614609
-
-
7.28
572.3719
biliverdin
Biliverdin
ME614450
-
-
1.95
583.2562
bilirubin
Bilirubin
ME614449
-
-
1.69
585.2723
C24:0 LPC
LPC 24:0
ME614610
-
-
7.20
608.4658
C34:1 DAG_NH4
DG 34:1
ME614662
-
-
1.62
612.5568
C34:2 DAG
DG 34:2
ME614661
-
-
1.66
615.4986
C34:1 DAG
DG 34:1
ME614663
-
-
1.62
617.5143
C24:1 Ceramide (d18:1)
Cer 18:1;O2/24:1
ME614660
-
-
1.81
648.6297
triiodothyronine
Liothyronine
ME614585
-
-
5.55
651.7984
C14:0 SM
SM 18:1;O2/14:0
ME614648
-
-
7.16
675.5442
C34:3 PE plasmalogen
PE P-34:2 or PE O-34:3
ME614640
-
-
5.34
700.5283
C16:1 SM
SM 18:1;O2/16:1
ME614649
-
-
7.11
701.5599
C34:2 PE plasmalogen
PE P-34:1 or PE O-34:2
ME614641
-
-
5.34
702.5443
C16:0 SM
SM 18:1;O2/16:0
ME614650
-
-
7.10
703.5751
C30:0 PC
PC 30:0
ME614624
-
-
6.58
706.5386
C34:2 PE
PE 34:2
ME614633
-
-
5.40
716.5232
C34:0 PE
PE 34:0
ME614634
-
-
6.58
720.5546
C36:5 PE plasmalogen
PE P-36:4 or PE O-36:5
ME614642
-
-
5.27
724.5281
C36:3 PE plasmalogen
PE P-36:2 or PE O-36:3
ME614643
-
-
5.32
728.5601
C18:1 SM
SM 18:1;O2/18:1
ME614651
-
-
7.02
729.5916
C32:2 PC
PC 32:2
ME614625
-
-
6.54
730.5390
C18:0 SM
SM 18:1;O2/18:0
ME614652
-
-
7.02
731.6067
C36:4 PE
PE 36:4
ME614635
-
-
5.33
740.5231
C34:3 PC plasmalogen
PC P-34:2 or PC O-34:3
ME614629
-
-
6.43
742.5751
C36:2 PE
PE 36:2
ME614636
-
-
5.36
744.5544
C38:7 PE plasmalogen
PE P-38:6 or PE O-38:7
ME614644
-
-
5.26
748.5279
C38:6 PE plasmalogen
PE P-38:5 or PE O-38:6
ME614645
-
-
5.25
750.5438
C38:5 PE plasmalogen
PE P-38:4 or PE O-38:5
ME614646
-
-
5.25
752.5592
C34:3 PC
PC 34:3
ME614626
-
-
6.54
756.5531
C34:2 PC
PC 34:2
ME614627
-
-
7.67
758.5697
C20:0 SM
SM 18:1;O2/20:0
ME614653
-
-
6.98
759.6378
glycine
Glycine
ME614506
-
-
7.66
76.0393
trimethylamine-N-oxide
Trimethylamine N-oxide
ME614586
-
-
7.80
76.0760
C38:6 PE
PE 38:6
ME614637
-
-
5.31
764.5226
C36:5 PC plasmalogen
PC P-36:4 or PC O-36:5
ME614630
-
-
6.34
766.5749
C38:4 PE
PE 38:4
ME614638
-
-
5.30
768.5541
C40:7 PE plasmalogen
PE P-40:6 or PE O-40:7
ME614647
-
-
5.22
776.5594
thyroxine
Thyroxine
ME614583
-
-
5.51
777.6951
C36:2 PC
PC 36:2
ME614628
-
-
7.68
786.5994
C22:0 SM
SM 18:1;O2/22:0
ME614654
-
-
6.96
787.6694
C38:7 PC plasmalogen
PC P-38:6 or PC O-38:7
ME614631
-
-
6.30
790.5750
C40:6 PE
PE 40:6
ME614639
-
-
5.28
792.5541
C38:6 PC plasmalogen
PC P-38:5 or PC O-38:6
ME614632
-
-
6.31
792.5909
putrescine
Putrescine
ME614570
-
-
9.03
89.1076
alanine
Alanine
ME614437
-
-
7.55
90.0552
beta-alanine
beta-Alanine
ME614446
-
-
7.72
90.0552
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-aminobutyrate
2-Aminobutyric acid
ME614669
-
-
2.85
102.056
malonate
Malonic acid
ME614738
-
-
6.91
103.0037
alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxy...
-
ME614691
-
-
3.55
103.0401
glycerate
Glyceric acid
ME614719
-
-
4
105.0193
uracil
Uracil
ME614771
-
-
1.46
111.02
fumarate/maleate
Fumaric acid
ME614713
-
-
6.73
115.0037
alpha-ketoisovalerate
Ketoisovaleric acid
ME614693
-
-
3.24
115.0401
levulinate
Levulinic acid
ME614736
-
-
3.7
115.0401
methylmalonate
Methylmalonic acid
ME614741
-
-
6.8
117.0193
succinate
Succinic acid
ME614764
-
-
6.6
117.0193
2-hydroxy-3-methylbutyrate/hydroxyisovalerate
-
ME614670
-
-
3.4
117.0558
4-hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME614681
-
-
2.33
121.0295
taurine
Taurine
ME614767
-
-
3.49
124.0074
thymine
Thymine
ME614769
-
-
1.13
125.0357
mesaconate
Mesaconic acid
ME614739
-
-
6.6
129.0194
alpha-keto-beta-methylvalerate/alpha-ketoisocaproa...
-
ME614692
-
-
3.19
129.0558
thymine-d4
Thymine
ME614664
-
-
1.25
129.0609
N-acetylalanine
N-Acetylalanine
ME614742
-
-
3.59
130.051
2-hydroxy-3-methylpentanoate/hydroxyisocaproate
-
ME614671
-
-
3.36
131.0714
aspartate
Aspartic acid
ME614696
-
-
4.95
132.0303
malate
Malic acid
ME614737
-
-
6.73
133.0143
methylcysteine
Methylcysteine
ME614740
-
-
3.32
134.0282
adenine
Adenine
ME614687
-
-
2.14
134.0473
erythronate/threonate
-
ME614708
-
-
4.11
135.03
hypoxanthine
Hypoxanthine
ME614728
-
-
3.06
135.0313
phenylacetate
Phenyl acetate
ME614752
-
-
4.16
135.0451
salicylate
Salicylic acid
ME614759
-
-
3.62
137.0245
4-nitrophenol
4-Nitrophenol
ME614682
-
-
3.38
138.0197
caprylate
Caprylic acid
ME614699
-
-
3.34
143.1078
adipate/methylglutarate
-
ME614688
-
-
6.54
145.0507
glutamate
Glutamic acid
ME614716
-
-
4.91
146.0459
N-acetylserine
N-Acetylserine
ME614745
-
-
3.73
146.0459
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME614672
-
-
6.7
147.0299
xylose
Xylose
ME614776
-
-
2.04
149.0456
guanine
Guanine
ME614722
-
-
2.65
150.0421
xanthine
Xanthine
ME614775
-
-
4.67
151.0262
adonitol/arabitol
-
ME614689
-
-
1.58
151.0612
orotate
Orotic acid
ME614747
-
-
4.24
155.0099
imidazolelactate
Imidazolelactic acid
ME614729
-
-
4.18
155.0463
3-methyladipate/pimelate
-
ME614677
-
-
6.48
159.0663
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME614673
-
-
3.35
159.1027
2-aminoadipate
alpha-Aminoadipic acid
ME614668
-
-
5.02
160.0616
anhydroDglucose
-
ME614695
-
-
6.55
161.0456
3-methylxanthine
3-Methylxanthine
ME614679
-
-
3.25
165.0418
3-3-hydroxyphenylpropionate
3-(3-Hydroxyphenyl)propanoic acid
ME614675
-
-
3.53
165.0558
phenyllactate
Phenyllactic acid
ME614754
-
-
2.91
165.0558
quinolinate
Quinolinic acid
ME614788
-
-
7.15
166.0146
PEP
Phosphoenolpyruvic acid
ME614751
-
-
9.38
166.9752
urate
Uric acid
ME614772
-
-
4.96
167.0211
norepinephrine
Norepinephrine
ME614746
-
-
2.06
168.0667
3-methylhistidine
3-Methylhistidine
ME614678
-
-
3.8
168.078
alpha-glycerophosphate
sn-Glycero-3-phosphate
ME614690
-
-
7.03
171.0065
aconitate
trans-Aconitic acid
ME614686
-
-
8.77
173.0092
suberate
Suberic acid
ME614763
-
-
6.45
173.0819
hippurate
Hippuric acid
ME614726
-
-
3.7
178.051
fructose/glucose/galactose
Hexose
ME614712
-
-
-
179.0561
inositol
Inositol
ME614734
-
-
2.47
179.0562
1-methylurate
1-Methyluric acid
ME614667
-
-
4.43
181.0369
homovanillate
Homovanillic acid
ME614727
-
-
4.16
181.0508
sorbitol
Sorbitol
ME614762
-
-
1.83
181.0719
4-pyridoxate
4-Pyridoxic acid
ME614683
-
-
3.54
182.046
2-phosphoglycerate
2-Phosphoglyceric acid
ME614674
-
-
9.1
184.9857
3-phosphoglycerate
3-Phosphoglyceric acid
ME614680
-
-
8.9
184.9857
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME614676
-
-
3.27
187.1341
N-acetylglutamate
N-Acetylglutamic acid
ME614744
-
-
6.4
188.0566
citrate/isocitrate
Citric acid/Isocitric acid
ME614700
-
-
8.77
191.0198
quinate
Quinic acid
ME614756
-
-
4.05
191.0562
glucuronate
Glucuronic acid
ME614715
-
-
4.7
193.0354
salicylurate
Salicyluric acid
ME614760
-
-
5.82
194.0459
erythrose-4-phosphate
Erythrose 4-phosphate
ME614709
-
-
6.5
199.0013
sebacate
Sebacic acid
ME614761
-
-
6.5
201.1133
indolelactate
Indolelactic acid
ME614731
-
-
4.2
204.0667
kynurenine
Kynurenine
ME614785
-
-
3.1
207.0775
indoxylsulfate
Indoxyl sulfate
ME614732
-
-
3.76
212.0024
pantothenate
Pantothenic acid
ME614749
-
-
3.72
218.1034
cystathionine
Cystathionine
ME614704
-
-
5.15
221.0602
pentose monophosphate
Ribose 5-phosphate
ME614750
-
-
7.01
229.0121
cystine
Cystine
ME614705
-
-
5.76
239.0166
CMPF
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME614702
-
-
6.89
239.0925
cytidine
Cytidine
ME614706
-
-
-
242.0782
uridine
Uridine
ME614773
-
-
1.66
243.0621
hexose monophosphate
Fructose 6-phosphate
ME614725
-
-
7.06
259.0222
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME614753
-
-
3.59
263.1035
inosine
Inosine
ME614733
-
-
3.17
267.0733
N-acetylcarnosine
N-Acetylcarnosine
ME614743
-
-
3.79
267.1098
inosine-15N4
Inosine
ME614665
-
-
3.16
271.0615
6-phosphogluconate
6-Phosphogluconic acid
ME614684
-
-
8.55
275.0173
gamma-linolenate
gamma-Linolenic acid
ME614714
-
-
3.09
277.2174
guanosine
Guanosine
ME614723
-
-
2.85
282.0844
dCMP
dCMP
ME614707
-
-
7.15
306.0497
glutathione reduced
Glutathione
ME614718
-
-
5.75
306.0767
dUMP
dUMP
ME614783
-
-
7.25
307.0337
warfarin
Warfarin
ME614774
-
-
3.1
307.0976
ranitidine
Ranitidine
ME614757
-
-
1.1
313.134
dTMP
dTMP
ME614782
-
-
7.15
321.0493
CMP
CMP
ME614701
-
-
7.25
322.0446
UMP
UMP
ME614770
-
-
7.35
323.0286
acetaminophen glucuronide
p-Acetamidophenylglucuronide
ME614685
-
-
4.3
326.0881
hexose diphosphate
-
ME614724
-
-
9.84
338.989
sucrose/lactose/trehalose
-
ME614766
-
-
2.5
341.108
corticosterone
Corticosterone
ME614781
-
-
1.05
345.2071
AMP
AMP
ME614694
-
-
7.45
346.0561
IMP
IMP
ME614730
-
-
8.49
347.0402
cys-gly-oxidized
Cys-Gly
ME614703
-
-
6.25
353.0598
XMP
XMP
ME614791
-
-
9.25
363.0347
riboflavin
Riboflavin
ME614758
-
-
1.47
375.1313
succinyladenosine
Succinyladenosine
ME614765
-
-
7
382.1004
chenodeoxycholate/deoxycholate
Deoxycholic acid
ME614780
-
-
3.8
391.2854
ADP
ADP
ME614779
-
-
9.55
426.0221
folate
Folic acid
ME614711
-
-
9.8
440.1328
GDP
GDP
ME614784
-
-
10.2
442.0171
glycodeoxycholate/glycochenodeoxycholate
Glycodeoxycholic acid
ME614721
-
-
3.66
448.3071
FMN
FMN
ME614710
-
-
7.2
455.0973
5-methyl-THF
5-Methyl-THF
ME614777
-
-
7.5
458.1794
adenylosuccinate
Adenylsuccinic acid
ME614778
-
-
10.04
462.067
glycocholate
Glycocholic acid
ME614720
-
-
3.73
464.3021
glycocholate-d4
Glycocholic acid
ME614666
-
-
3.73
468.327
taurodeoxycholate/taurochenodeoxycholate
-
ME614768
-
-
3.3
498.2895
ATP
ATP
ME614697
-
-
11.3
505.9884
UDP-galactose/UDP-glucose
UDP-glucose
ME614789
-
-
6.87
565.0487
UDP-glucuronate
UDP-glucuronic acid
ME614790
-
-
8.8
579.027
bilirubin
Bilirubin
ME614698
-
-
14.61
583.2572
glutathione oxidized
Glutathione
ME614717
-
-
7.59
611.1474
NAD
NAD
ME614786
-
-
4.82
662.1038
propionate
Propionic acid
ME614755
-
-
3.8
73.0295
NADP
NADP
ME614787
-
-
8.7
742.0687
oxalate
Oxalic acid
ME614748
-
-
7.18
88.988
lactate
Lactic acid
ME614735
-
-
3.68
89.0244
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
piperine
Piperine
ME614995
-
-
3.75
286.1429
palmithoylethanolamide
-
ME614869
-
-
5.16
300.2888
sphingosine
Sphingosine
ME614868
-
-
4.29
300.2888
N-Oleoylethanolamine
Oleoyl-EA
ME614870
-
-
5.34
326.3044
C16:1 MAG
MG 16:1
ME614898
-
-
5.07
339.2497
Cholesterol
Cholesterol
ME614994
-
-
7.63
369.3505
NH4_C18:0 MAG
-
ME615010
-
-
6.04
376.3411
C18:0 MAG
MG 18:0
ME614899
-
-
6.04
381.2963
7-Dehydrodesmosterol
7-Dehydro-desmosterol
ME614993
-
-
7.31
383.3301
C22:1 MAG
MG 22:1
ME614900
-
-
7.13
430.3885
C16:0 LPE
LPE 16:0
ME614799
-
-
5
454.2921
C18:2 LPE
LPE 18:2
ME614800
-
-
4.71
478.2924
C18:1 LPE
LPE 18:1
ME614801
-
-
5.07
480.3082
C18:0 LPE
LPE 18:0
ME614802
-
-
5.62
482.3237
C16:0 LPC
LPC 16:0
ME614793
-
-
4.99
496.3394
C20:4 LPE
LPE 20:4
ME614803
-
-
4.74
502.2925
C20:0 LPE
LPE 20:0
ME614804
-
-
5.29
510.3552
C18:3 LPC
LPC 18:3
ME614794
-
-
4.85
518.3213
C18:2 LPC
LPC 18:2
ME614795
-
-
4.7
520.3397
C18:1 LPC
LPC 18:1
ME614796
-
-
5.04
522.3554
C18:0 LPC
LPC 18:0
ME614797
-
-
5.6
524.3708
C22:6 LPE
LPE 22:6
ME614805
-
-
4.73
526.2929
C22:0 LPE
LPE 22:0
ME614806
-
-
5.94
538.3866
C16:0 Ceramide (d18:1)
Cer 18:1;O2/16:0
ME614871
-
-
8.6
538.519
C20:4 LPC
LPC 20:4
ME614798
-
-
4.73
544.3397
C30:0 DAG
DG 30:0
ME614901
-
-
8.97
563.463
NH4_C32:0 DAG
DG 32:0
ME615011
-
-
9.41
586.539
C32:2 DAG
DG 32:2
ME614902
-
-
8.79
587.4634
C32:1 DAG
DG 32:1
ME614903
-
-
9.11
589.4787
C32:0 DAG
DG 32:0
ME614904
-
-
9.41
591.4944
NH4_C34:3 DAG
DG 34:3
ME615012
-
-
8.96
608.5234
NH4_C34:2 DAG
DG 34:2
ME615013
-
-
9.24
610.5379
NH4_C34:1 DAG
DG 34:1
ME615014
-
-
9.53
612.5538
C34:3 DAG
DG 34:3
ME614905
-
-
8.96
613.4777
NH4_C14:0 CE
CE 14:0
ME614997
-
-
11.69
614.5855
C34:2 DAG
DG 34:2
ME614906
-
-
9.25
615.4931
C34:1 DAG
DG 34:1
ME614907
-
-
9.53
617.509
C34:0 DAG
DG 34:0
ME614908
-
-
9.81
619.5249
C14:0 CE
CE 14:0
ME614885
-
-
11.69
619.5406
C24:0 PC
PC 24:0
ME614792
-
-
6.75
622.4419
C22:0 Ceramide (d18:1)
Cer 18:1;O2/22:0
ME614872
-
-
9.92
622.6112
NH4_C36:3 DAG
DG 36:3
ME615015
-
-
9.37
636.5538
NH4_C36:2 DAG
DG 36:2
ME615016
-
-
9.66
638.5698
C36:4 DAG
DG 36:4
ME614913
-
-
9.24
639.493
NH4_C36:1 DAG
DG 36:1
ME615017
-
-
9.93
640.5856
NH4_C16:1 CE
CE 16:1
ME614998
-
-
11.78
640.6005
C36:3 DAG
DG 36:3
ME614909
-
-
9.38
641.5092
NH4_C36:0 DAG
-
ME615018
-
-
10.16
642.6012
NH4_C16:0 CE
CE 16:0
ME614999
-
-
12.11
642.617
C36:2 DAG
DG 36:2
ME614910
-
-
9.66
643.525
C36:1 DAG
DG 36:1
ME614911
-
-
9.93
645.5408
C16:1 CE
CE 16:1
ME614886
-
-
11.78
645.5558
C36:0 DAG
DG 36:0
ME614912
-
-
10.16
647.5565
C16:0 CE
CE 16:0
ME614887
-
-
12.11
647.5719
C24:1 Ceramide (d18:1)
Cer 18:1;O2/24:1
ME614874
-
-
9.97
648.6271
C24:0 Ceramide (d18:1)
Cer 18:1;O2/24:0
ME614873
-
-
10.3
650.6427
NH4_C38:5 DAG
DG 38:5
ME615019
-
-
9.36
660.5542
NH4_C38:4 DAG
-
ME615020
-
-
9.66
662.57
NH4_C18:3 CE
CE 18:3
ME615000
-
-
11.6
664.6007
C38:5 DAG
DG 38:5
ME614914
-
-
9.36
665.5084
NH4_C18:2 CE
CE 18:2
ME615001
-
-
11.88
666.6161
C38:4 DAG
DG 38:4
ME614915
-
-
9.66
667.5251
NH4_C18:1 CE
CE 18:1
ME615002
-
-
12.2
668.6319
C18:3 CE
CE 18:3
ME614888
-
-
11.6
669.556
NH4_C18:0 CE
CE 18:0
ME615003
-
-
12.54
670.6478
C18:2 CE
CE 18:2
ME614889
-
-
11.88
671.5713
C18:1 CE
CE 18:1
ME614890
-
-
12.21
673.5861
C14:0 SM
SM 18:1;O2/14:0
ME614875
-
-
7.95
675.5406
C18:0 CE
CE 18:0
ME614891
-
-
12.54
675.602
NH4_C20:5 CE
CE 20:5
ME615004
-
-
11.47
688.5997
C32:1 PE
PE 32:1
ME614842
-
-
8.58
690.5039
NH4_C20:4 CE
CE 20:4
ME615005
-
-
11.72
690.6152
C32:0 PE
PE 32:0
ME614843
-
-
8.17
692.5194
NH4_C20:3 CE
CE 20:3
ME615006
-
-
11.98
692.6309
C20:5 CE
CE 20:5
ME614892
-
-
11.47
693.5551
C20:4 CE
CE 20:4
ME614893
-
-
11.72
695.5704
C20:3 CE
CE 20:3
ME614894
-
-
11.98
697.5862
C34:3 PE plasmalogen
PE P-34:2 or PE O-34:3
ME614856
-
-
9.05
700.5244
C16:1 SM
SM 18:1;O2/16:1
ME614876
-
-
8.11
701.5564
C34:2 PE plasmalogen
PE P-34:1 or PE O-34:2
ME614857
-
-
9.33
702.54
C16:0 SM
SM 18:1;O2/16:0
ME614877
-
-
8.47
703.5719
C30:1 PC
PC 30:1
ME614807
-
-
8.12
704.5197
C30:0 PC
PC 30:0
ME614808
-
-
8.43
706.5351
NH4_C22:6 CE
CE 22:6
ME615007
-
-
11.58
714.6155
C34:2 PE
PE 34:2
ME614844
-
-
8.74
716.5196
NH4_C22:5 CE
CE 22:5
ME615008
-
-
11.81
716.631
NH4_C22:4 CE
CE 22:4
ME615009
-
-
12.08
718.6468
C22:6 CE
CE 22:6
ME614895
-
-
11.58
719.5708
C34:0 PE
PE 34:0
ME614845
-
-
8.67
720.5509
C22:5 CE
CE 22:5
ME614896
-
-
11.81
721.5864
C22:4 CE
CE 22:4
ME614897
-
-
12.07
723.6028
C36:5 PE plasmalogen
PE P-36:4 or PE O-36:5
ME614858
-
-
9.05
724.5246
C36:4 PE plasmalogen
PE P-36:4 or PE O-36:5
ME614859
-
-
9.19
726.5397
NH4_C41:0 TAG
TG 41:0
ME615021
-
-
10.87
726.6581
C36:3 PE plasmalogen
PE P-36:2 or PE O-36:3
ME614860
-
-
9.47
728.5561
C18:1 SM
SM 18:1;O2/18:1
ME614878
-
-
8.64
729.5879
C32:2 PC
PC 32:2
ME614809
-
-
8.24
730.5354
C36:2 PE plasmalogen
PE P-36:2 or PE O-36:3
ME614861
-
-
9.73
730.5719
C18:0 SM
SM 18:1;O2/18:0
ME614879
-
-
8.96
731.6033
C41:0 TAG
TG 41:0
ME614916
-
-
10.86
731.6134
C32:1 PC
PC 32:1
ME614810
-
-
8.58
732.5509
C32:0 PC
PC 32:0
ME614811
-
-
8.9
734.5665
C34:5 PC plasmalogen
PC P-34:5 or PC O-34:6
ME614828
-
-
9.27
738.5407
C36:4 PE
PE 36:4
ME614846
-
-
8.76
740.5199
NH4_C42:0 TAG
TG 42:0
ME615022
-
-
11.04
740.6739
C36:3 PE
PE 36:3
ME614847
-
-
8.88
742.5352
C34:3 PC plasmalogen
PC P-34:2 or PC O-34:3
ME614829
-
-
9.03
742.5712
C36:2 PE
PE 36:2
ME614848
-
-
9.18
744.551
C34:2 PC plasmalogen
PC P-34:2 or PC O-34:3
ME614830
-
-
9.33
744.5867
C42:0 TAG
TG 42:0
ME614917
-
-
11.02
745.6292
C36:1 PE
PE 36:1
ME614849
-
-
9.47
746.567
C34:1 PC plasmalogen-B
PC P-34:1 or PC O-34:2
ME614832
-
-
9.61
746.6024
C34:1 PC plasmalogen-A
PC P-34:1 or PC O-34:2
ME614831
-
-
9.32
746.6027
C38:7 PE plasmalogen
PE P-38:6 or PE O-38:7
ME614862
-
-
8.97
748.5238
C36:0 PE
PE 36:0
ME614850
-
-
9.12
748.5815
C38:6 PE plasmalogen
PE P-38:5 or PE O-38:6
ME614863
-
-
9.16
750.5393
NH4_C43:2 TAG
-
ME615023
-
-
10.73
750.6572
C38:5 PE plasmalogen
PE P-38:4 or PE O-38:5
ME614864
-
-
9.47
752.555
NH4_C43:1 TAG
TG 43:1
ME615024
-
-
10.98
752.6728
C34:4 PC
PC 34:4
ME614812
-
-
8.27
754.5345
NH4_C43:0 TAG
TG 43:0
ME615025
-
-
11.17
754.6883
C43:2 TAG
TG 43:2
ME614918
-
-
10.73
755.6124
C34:3 PC
PC 34:3
ME614813
-
-
8.45
756.5498
C43:1 TAG
TG 43:1
ME614919
-
-
10.98
757.6282
C34:2 PC
PC 34:2
ME614814
-
-
8.73
758.5656
C20:0 SM
SM 18:1;O2/20:0
ME614880
-
-
9.41
759.6335
C43:0 TAG
TG 43:0
ME614920
-
-
11.16
759.6436
C34:1 PC
PC 34:1
ME614815
-
-
9.04
760.5813
C34:0 PC
PC 34:0
ME614816
-
-
9.34
762.5967
C38:6 PE
PE 38:6
ME614851
-
-
8.58
764.5189
NH4_C44:2 TAG
TG 44:2
ME615026
-
-
10.88
764.6728
C38:5 PE
PE 38:5
ME614852
-
-
8.9
766.5344
C36:5 PC plasmalogen-A
PC P-36:5 or PC O-36:6
ME614833
-
-
8.78
766.5689
C36:5 PC plasmalogen-B
PC O-16:1/20:4
ME614834
-
-
9.04
766.57
NH4_C44:1 TAG
TG 44:1
ME615027
-
-
11.12
766.6877
C38:4 PE
PE 38:4
ME614853
-
-
9.22
768.5502
C36:4 PC plasmalogen
PC P-36:4 or PC O-36:5
ME614835
-
-
9.22
768.5858
NH4_C44:0 TAG
TG 44:0
ME615028
-
-
11.33
768.7041
C44:2 TAG
TG 44:2
ME614921
-
-
10.89
769.6282
C36:3 PC plasmalogen
PC P-36:3 or PC O-36:4
ME614836
-
-
9.47
770.6003
C44:1 TAG
TG 44:1
ME614922
-
-
11.12
771.6437
C38:2 PE
PE 38:2
ME614854
-
-
8.97
772.5802
C36:2 PC plasmalogen
PC P-36:2 or PC O-36:3
ME614837
-
-
9.47
772.6171
C44:0 TAG
TG 44:0
ME614923
-
-
11.33
773.6594
C36:1 PC plasmalogen
PC P-36:1 or PC O-36:2
ME614838
-
-
9.76
774.6337
C40:7 PE plasmalogen
PE P-40:6 or PE O-40:7
ME614865
-
-
9.4
776.5547
NH4_C45:3 TAG
TG 45:3
ME615029
-
-
10.91
776.6723
NH4_C45:2 TAG
TG 45:2
ME615030
-
-
11.04
778.6885
NH4_C45:1 TAG
TG 45:1
ME615031
-
-
11.26
780.7042
C45:3 TAG
TG 45:3
ME614924
-
-
10.91
781.6282
C36:4 PC-B
PC 36:4
ME614818
-
-
8.76
782.5649
C36:4 PC-A
PC 36:4
ME614817
-
-
8.56
782.5657
C45:2 TAG
TG 45:2
ME614925
-
-
11.08
783.6439
C36:3 PC
PC 36:3
ME614819
-
-
8.88
784.5809
C22:1 SM
SM 18:1;O2/22:1
ME614881
-
-
9.56
785.6504
C45:1 TAG
TG 45:1
ME614926
-
-
11.26
785.6596
C36:2 PC
PC 36:2
ME614820
-
-
9.18
786.597
C22:0 SM
SM 18:1;O2/22:0
ME614882
-
-
9.82
787.6654
C45:0 TAG
TG 45:0
ME614927
-
-
11.49
787.6749
C36:2 PS
PS 36:2
ME614867
-
-
8.08
788.5406
C36:1 PC
PC 36:1
ME614821
-
-
9.47
788.6127
NH4_C46:4 TAG
TG 46:4
ME615032
-
-
10.75
788.6729
C38:7 PC plasmalogen
PC P-38:6 or PC O-38:7
ME614839
-
-
8.97
790.57
NH4_C46:3 TAG
TG 46:3
ME615033
-
-
10.98
790.6885
C40:6 PE
PE 40:6
ME614855
-
-
9.15
792.5498
C38:6 PC plasmalogen
PC P-38:5 or PC O-38:6
ME614840
-
-
9.09
792.585
NH4_C46:2 TAG
TG 46:2
ME615034
-
-
11.19
792.704
C46:4 TAG
TG 46:4
ME614928
-
-
10.75
793.6284
NH4_C46:1 TAG
TG 46:1
ME615035
-
-
11.41
794.7191
C46:3 TAG
TG 46:3
ME614929
-
-
10.97
795.6441
C38:4 PC plasmalogen
PC P-38:4 or PC O-38:5
ME614841
-
-
9.49
796.6167
NH4_C46:0 TAG
TG 46:0
ME615036
-
-
11.65
796.7353
C46:2 TAG
TG 46:2
ME614930
-
-
11.19
797.6596
C46:1 TAG
TG 46:1
ME614931
-
-
11.42
799.6752
C46:0 TAG
TG 46:0
ME614932
-
-
11.64
801.6907
C38:6 PC
PC 38:6
ME614822
-
-
8.7
806.5651
NH4_C47:2 TAG
TG 47:2
ME615037
-
-
11.34
806.7198
C32:2 PI
PI 32:2
ME614866
-
-
7.4
807.5079
NH4_C47:1 TAG
TG 47:1
ME615038
-
-
11.58
808.7356
C38:4 PC
PC 38:4
ME614823
-
-
9.22
810.5961
C47:2 TAG
TG 47:2
ME614933
-
-
11.36
811.6753
C38:3 PC
PC 38:3
ME614824
-
-
9.34
812.6115
C24:1 SM
SM 18:1;O2/24:1
ME614883
-
-
9.87
813.6812
C47:1 TAG
TG 47:1
ME614934
-
-
11.57
813.6912
C38:2 PC
PC 38:2
ME614825
-
-
9.55
814.6285
NH4_C48:5 TAG
TG 48:5
ME615039
-
-
10.88
814.6886
C24:0 SM
SM 18:1;O2/24:0
ME614884
-
-
10.21
815.697
C47:0 TAG
TG 47:0
ME614935
-
-
11.81
815.7063
NH4_C48:4 TAG
TG 48:4
ME615040
-
-
11.05
816.7045
NH4_C48:3 TAG
TG 48:3
ME615041
-
-
11.28
818.7199
C48:5 TAG
TG 48:5
ME614936
-
-
10.83
819.6439
NH4_C48:2 TAG
TG 48:2
ME615042
-
-
11.49
820.7352
C48:4 TAG
TG 48:4
ME614937
-
-
11.05
821.6599
NH4_C48:1 TAG
TG 48:1
ME615043
-
-
11.74
822.7512
C48:3 TAG
TG 48:3
ME614938
-
-
11.28
823.6754
NH4_C48:0 TAG
TG 48:0
ME615044
-
-
11.98
824.7667
C48:2 TAG
TG 48:2
ME614939
-
-
11.49
825.691
C48:1 TAG
TG 48:1
ME614940
-
-
11.74
827.7065
C40:9 PC
PC 40:9
ME614826
-
-
8.69
828.548
C48:0 TAG
TG 48:0
ME614941
-
-
11.98
829.7224
NH4_C49:3 TAG
TG 49:3
ME615045
-
-
11.43
832.7356
C40:6 PC
PC 40:6
ME614827
-
-
9
834.5961
NH4_C49:2 TAG
TG 49:2
ME615046
-
-
11.66
834.7513
NH4_C49:1 TAG
TG 49:1
ME615047
-
-
11.91
836.766
C49:3 TAG
TG 49:3
ME614942
-
-
11.43
837.6902
C49:2 TAG
TG 49:2
ME614943
-
-
11.65
839.7061
NH4_C50:6 TAG
TG 50:6
ME615048
-
-
11.07
840.7033
C49:1 TAG
TG 49:1
ME614944
-
-
11.91
841.7215
NH4_C50:5 TAG
TG 50:5
ME615049
-
-
11.13
842.7184
C49:0 TAG
TG 49:0
ME614945
-
-
12.15
843.7368
NH4_C50:4 TAG
TG 50:4
ME615050
-
-
11.36
844.7346
C50:6 TAG
TG 50:6
ME614946
-
-
11.07
845.6588
NH4_C50:3 TAG
TG 50:3
ME615051
-
-
11.58
846.75
C50:5 TAG
TG 50:5
ME614947
-
-
11.13
847.6742
NH4_C50:2 TAG
TG 50:2
ME615052
-
-
11.84
848.766
C50:4 TAG
TG 50:4
ME614948
-
-
11.36
849.6899
NH4_C50:1 TAG
TG 50:1
ME615053
-
-
12.07
850.7817
C50:3 TAG
TG 50:3
ME614949
-
-
11.58
851.7049
NH4_C50:0 TAG
TG 50:0
ME615054
-
-
12.35
852.7976
C50:2 TAG
TG 50:2
ME614950
-
-
11.83
853.7211
C50:1 TAG
TG 50:1
ME614951
-
-
12.07
855.7369
C50:0 TAG
TG 50:0
ME614952
-
-
12.35
857.753
NH4_C51:3 TAG
-
ME615055
-
-
11.76
860.766
NH4_C51:2 TAG
-
ME615056
-
-
12
862.7818
NH4_C51:1 TAG
TG 51:1
ME615057
-
-
12.25
864.7976
C51:3 TAG
TG 51:3
ME614953
-
-
11.76
865.722
NH4_C52:7 TAG
TG 52:7
ME615059
-
-
11.17
866.7196
NH4_C51:0 TAG
TG 51:0
ME615058
-
-
12.54
866.813
C51:2 TAG
TG 51:2
ME614954
-
-
12.01
867.7369
NH4_C52:6 TAG
TG 52:6
ME615060
-
-
11.37
868.7349
C51:1 TAG
TG 51:1
ME614955
-
-
12.25
869.7534
NH4_C52:5 TAG
TG 52:5
ME615061
-
-
11.44
870.7501
C52:7 TAG
TG 52:7
ME614957
-
-
11.16
871.6751
C51:0 TAG
TG 51:0
ME614956
-
-
12.51
871.7684
C52:6 TAG
TG 52:6
ME614958
-
-
11.37
873.6905
NH4_C52:3 TAG
TG 52:3
ME615062
-
-
11.92
874.781
C52:5 TAG
TG 52:5
ME614959
-
-
11.44
875.7054
NH4_C52:2 TAG
TG 52:2
ME615063
-
-
12.18
876.7977
C52:4 TAG
TG 52:4
ME614960
-
-
11.67
877.7209
NH4_C52:1 TAG
TG 52:1
ME615064
-
-
12.44
878.8135
C52:3 TAG
TG 52:3
ME614961
-
-
11.92
879.7367
NH4_C52:0 TAG
TG 52:0
ME615065
-
-
12.73
880.8293
C52:2 TAG
TG 52:2
ME614962
-
-
12.17
881.7526
C52:1 TAG
TG 52:1
ME614963
-
-
12.44
883.7688
Coenzyme Q10_Na
Coenzyme Q10
ME614996
-
-
11.68
885.6693
C52:0 TAG
TG 52:0
ME614964
-
-
12.73
885.7849
NH4_C53:3 TAG
TG 53:3
ME615066
-
-
12.1
888.7977
NH4_C53:2 TAG
TG 53:2
ME615067
-
-
12.35
890.8137
NH4_C54:8 TAG
TG 54:8
ME615068
-
-
11.24
892.7363
C53:3 TAG
TG 53:3
ME614965
-
-
12.1
893.7531
NH4_C54:7 TAG
TG 54:7
ME615069
-
-
11.45
894.751
C53:2 TAG
TG 53:2
ME614966
-
-
12.36
895.7691
NH4_C54:6 TAG
TG 54:6
ME615070
-
-
11.54
896.7661
C54:8 TAG
TG 54:8
ME614967
-
-
11.24
897.6911
NH4_C54:5 TAG
TG 54:5
ME615071
-
-
11.76
898.7816
C54:7 TAG
TG 54:7
ME614968
-
-
11.45
899.7065
NH4_C54:4 TAG
TG 54:4
ME615072
-
-
12.02
900.7968
C54:6 TAG
TG 54:6
ME614969
-
-
11.54
901.7213
NH4_C54:3 TAG
TG 54:3
ME615073
-
-
12.27
902.8136
C54:5 TAG
TG 54:5
ME614970
-
-
11.76
903.7368
NH4_C54:2 TAG
TG 54:2
ME615074
-
-
12.54
904.8294
C54:4 TAG
TG 54:4
ME614971
-
-
12.02
905.7528
NH4_C54:1 TAG
TG 54:1
ME615075
-
-
12.83
906.8453
C54:3 TAG
TG 54:3
ME614972
-
-
12.28
907.7688
C54:2 TAG
TG 54:2
ME614973
-
-
12.54
909.7847
C54:1 TAG
TG 54:1
ME614974
-
-
12.83
911.8009
NH4_C55:3 TAG
TG 55:3
ME615076
-
-
12.45
916.8291
NH4_C56:9 TAG
TG 56:9
ME615078
-
-
11.33
918.7511
NH4_C55:2 TAG
TG 55:2
ME615077
-
-
12.75
918.845
NH4_C56:8 TAG
TG 56:8
ME615079
-
-
11.54
920.7667
C55:3 TAG
TG 55:3
ME614975
-
-
12.46
921.7854
NH4_C56:7 TAG
TG 56:7
ME615080
-
-
11.78
922.7816
C56:9 TAG
TG 56:9
ME614977
-
-
11.32
923.7069
C55:2 TAG
TG 55:2
ME614976
-
-
12.75
923.8011
NH4_C56:6 TAG
TG 56:6
ME615081
-
-
11.97
924.7979
C56:8 TAG
TG 56:8
ME614978
-
-
11.54
925.7221
NH4_C56:5 TAG
TG 56:5
ME615082
-
-
12.12
926.8127
C56:7 TAG
TG 56:7
ME614979
-
-
11.78
927.7367
NH4_C56:4 TAG
-
ME615083
-
-
12.36
928.8296
C56:6 TAG
TG 56:6
ME614980
-
-
11.97
929.7521
NH4_C56:3 TAG
TG 56:3
ME615084
-
-
12.63
930.8455
C56:5 TAG
TG 56:5
ME614981
-
-
12.12
931.7665
NH4_C56:2 TAG
TG 56:2
ME615085
-
-
12.94
932.8612
C56:4 TAG
TG 56:4
ME614982
-
-
12.38
933.7845
NH4_C56:1 TAG
TG 56:1
ME615086
-
-
13.26
934.8769
C56:3 TAG
TG 56:3
ME614983
-
-
12.64
935.801
C56:2 TAG
TG 56:2
ME614984
-
-
12.94
937.8167
C56:1 TAG
TG 56:1
ME614985
-
-
13.26
939.8324
NH4_C58:11 TAG
TG 58:11
ME615087
-
-
11.29
942.7504
NH4_C58:10 TAG
TG 58:10
ME615088
-
-
11.47
944.7663
NH4_C58:9 TAG
TG 58:9
ME615089
-
-
11.64
946.7813
C58:11 TAG
TG 58:11
ME614986
-
-
11.29
947.7061
NH4_C58:8 TAG
TG 58:8
ME615090
-
-
11.86
948.7971
C58:10 TAG
TG 58:10
ME614987
-
-
11.47
949.7215
NH4_C58:7 TAG
TG 58:7
ME615091
-
-
11.98
950.8114
C58:9 TAG
TG 58:9
ME614988
-
-
11.64
951.7359
NH4_C58:6 TAG
TG 58:6
ME615092
-
-
12.25
952.8278
C58:8 TAG
TG 58:8
ME614989
-
-
11.85
953.7525
C58:7 TAG
TG 58:7
ME614990
-
-
11.98
955.7676
C58:6 TAG
TG 58:6
ME614991
-
-
12.24
957.7839
NH4_C60:12 TAG
TG 60:12
ME615093
-
-
11.42
968.7669
C60:12 TAG
TG 60:12
ME614992
-
-
11.42
973.7219
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
levulinate
Levulinic acid
ME615130
-
-
0.89
115.0388
4-hydroxystyrene
4-Hydroxystyrene
ME615159
-
-
2.42
119.0502
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME615140
-
-
1.56
131.0702
salicylate
Salicylic acid
ME615158
-
-
3.09
137.0232
oxypurinol
Oxypurinol
ME615160
-
-
0.71
151.0250
mandelate
Mandelic acid
ME615161
-
-
1.96
151.0389
2-aminooctanoate
2-Aminocaprylic acid
ME615149
-
-
1.46
158.1187
3-methyladipate
3-Methyladipic acid
ME615129
-
-
1.33
159.0652
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME615138
-
-
5.92
159.1016
phenyllactate
Phenyllactic acid
ME615162
-
-
2.42
165.0547
caprate
Capric acid
ME615099
-
-
10.90
171.1380
formylmethionine
N-Formylmethionine
ME615163
-
-
1.04
176.0377
glucose/fructose/galactose
Hexose
ME615164
-
-
0.66
179.0552
theophylline
Theophylline
ME615165
-
-
0.95
179.0574
azelate
Azelaic acid
ME615131
-
-
4.54
187.0967
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME615139
-
-
8.50
187.1331
5-dodecenoate
5-Dodecenoic acid
ME615100
-
-
11.60
197.1538
dodecanoate
Lauric acid
ME615101
-
-
12.48
199.1695
sebacate
Sebacic acid
ME615132
-
-
6.19
201.1125
undecanedionate
Undecanedioic acid
ME615133
-
-
7.20
215.1283
myristoleate
Myristoleic acid
ME615102
-
-
12.86
225.1855
myristate
Myristic acid
ME615103
-
-
13.85
227.2011
dodecanedioate
Dodecanedioic acid
ME615134
-
-
8.01
229.1441
pentadecanoate
Pentadecylic acid
ME615104
-
-
14.44
241.2169
palmitoleate
Palmitoleic acid
ME615105
-
-
14.06
253.2170
palmitate
Palmitic acid
ME615106
-
-
14.96
255.2328
ribothymidine
Ribothymidine
ME615166
-
-
0.84
257.0776
tetradecanedioate
Tetradecanedioic acid
ME615135
-
-
9.42
257.1757
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME615167
-
-
1.37
263.1038
10-heptadecenoate
-
ME615107
-
-
14.60
267.2329
heptadecanoate
Margaric acid
ME615108
-
-
15.45
269.2486
2-hydroxyhexadecanoate
2-Hydroxypalmitic acid
ME615142
-
-
13.77
271.2279
16-hydroxypalmitate
Juniperic acid
ME615141
-
-
11.15
271.2280
alpha-linolenate
alpha-Linolenic acid
ME615110
-
-
13.61
277.2172
gamma-linolenate
gamma-Linolenic acid
ME615109
-
-
13.72
277.2172
linoleate
Linoleic acid
ME615111
-
-
14.33
279.2329
oleate
Oleic acid
ME615112
-
-
15.09
281.2486
stearate
Stearic acid
ME615113
-
-
15.89
283.2643
hexadecanedioate
Hexadecanedioic acid
ME615136
-
-
10.73
285.2072
13-HODE
13-HODE
ME615143
-
-
11.61
295.2278
10-nonadecenoate
-
ME615114
-
-
15.54
295.2642
hydrochlorothiazide
Hydrochlorothiazide
ME615168
-
-
1.32
295.9572
3-oxooctadecanoate
-
ME615148
-
-
14.40
297.2433
nonadecanoate
Nonadecylic acid
ME615115
-
-
16.32
297.2798
17-methylstearate
Xi-17-Methyloctadecanoic acid
ME615127
-
-
16.17
297.2799
9-cis-retinoic acid
9-cis-Retinoic acid
ME615150
-
-
12.76
299.2017
eicosapentaenoate
Eicosapentaenoic acid
ME615116
-
-
13.50
301.2173
arachidonate
Arachidonic acid
ME615117
-
-
14.17
303.2330
eicosatrienoate
Dihomo-gamma-linolenic acid
ME615118
-
-
14.63
305.2485
warfarin
Warfarin
ME615169
-
-
9.20
307.0978
eicosadienoate
11Z,14Z-Eicosadienoic acid
ME615119
-
-
15.24
307.2642
eicosenoate
Eicosenoic acid
ME615120
-
-
15.93
309.2800
phytanate
Phytanic acid
ME615128
-
-
16.73
311.2956
arachidate
Arachidic acid
ME615121
-
-
16.74
311.2957
"9,10-diHOME"
9,10-DiHOME
ME615144
-
-
10.14
313.2387
11-HETE
11-HETE
ME615146
-
-
11.88
319.2279
12-HETE/8-HETE
-
ME615145
-
-
12.01
319.2279
15-HETE
15-HETE
ME615147
-
-
11.72
319.2279
docosahexaenoate
Docosahexaenoic acid
ME615122
-
-
13.95
327.2330
docosapentaenoate
Docosapentaenoic acid
ME615123
-
-
14.30
329.2485
adrenate
Adrenic acid
ME615124
-
-
14.90
331.2643
13-docosenoate
-
ME615125
-
-
16.73
337.3113
eicosanedioate
Eicosanedioic acid
ME615137
-
-
13.16
341.2698
15R-15-methyl PGA2
-
ME615094
-
-
9.72
347.2229
15S-15-methyl PGD2
-
ME615095
-
-
8.69
365.2334
15S-15-methyl PGE2
-
ME615097
-
-
8.42
365.2334
nervonic acid
Nervonic acid
ME615126
-
-
17.62
365.3424
15R-15-methyl PGF2a
-
ME615098
-
-
8.24
367.2490
15S-15-methyl PGE1
-
ME615096
-
-
8.56
367.2491
chenodeoxycholate
Chenodeoxycholic acid
ME615151
-
-
10.50
391.2854
deoxycholate
Deoxycholic acid
ME615152
-
-
10.70
391.2857
cholate
Cholic acid
ME615153
-
-
9.12
407.2804
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME615157
-
-
8.08
448.3069
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME615155
-
-
9.23
448.3070
glycodeoxycholate
Glycodeoxycholic acid
ME615156
-
-
9.47
448.3070
glycocholate
Glycocholic acid
ME615154
-
-
8.13
464.3017
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