Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
Structure drawing
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
Return to study ST002658 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
spermine
Spermine
ME629542
-
-
0.47
203.222876
spermidine
Spermidine
ME629516
-
-
0.49
146.165176
lysine
Lysine
ME629519
-
-
0.52
147.112676
pyridoxamine
Pyridoxamine
ME629527
-
-
0.55
169.094576
glucose
Glucose
ME629533
-
-
0.61
181.070776
choline
Choline
ME629503
-
-
0.62
104.107676
glutamine
Glutamine
ME629518
-
-
0.62
147.076576
sn-glycero-3-phosphocholine
sn-Glycero-3-phosphocholine
ME629566
-
-
0.63
258.110876
carnitine
Carnitine
ME629525
-
-
0.64
162.105876
creatine
Creatine
ME629509
-
-
0.69
132.077476
Ornithine
Ornithine
ME629513
-
-
0.69
133.098276
aminobutyrate
Aminobutyric acid
ME629501
-
-
0.71
104.072676
dimethylglycine
Dimethylglycine
ME629502
-
-
0.71
104.072776
proline
Proline
ME629505
-
-
0.71
116.071876
valine
Valine
ME629506
-
-
0.81
118.086776
guanine
Guanine
ME629522
-
-
0.93
152.057076
N-acetylserine
N-Acetylserine
ME629520
-
-
0.93
148.060676
cytidine
Cytidine
ME629555
-
-
0.99
244.092376
N-acetylneuraminate
N-Acetylneuraminic acid
ME629590
-
-
1.01
310.112676
Car(18:1)
CAR 18:1
ME629618
-
-
10.1
426.358676
benzylbutylphthalate
Benzyl butyl phthalate
ME629592
-
-
10.23
313.143676
monoethylhexyl phthalate
Monoethylhexyl phthalic acid
ME629576
-
-
10.23
279.159076
dUMP
dUMP
ME629589
-
-
1.03
309.049576
Car(18:0)
CAR 18:0
ME629619
-
-
10.36
428.374276
PC(14:0)PC(14:0_0:0)
LPC 14:0
ME629623
-
-
10.56
468.308876
deoxycholate
Deoxycholic acid
ME629612
-
-
10.61
393.299476
Car(20:0)
CAR 20:0
ME629621
-
-
10.65
456.405376
sphingosine-1P (C18)
Sphingosine 1-phosphate
ME629609
-
-
10.66
380.255976
PC(16:1)PC(16:1_0:0)
LPC 16:1
ME629627
-
-
10.73
494.324776
PC(15:0)PC(15:0_0:0)
LPC 15:0
ME629625
-
-
10.83
482.323776
Car(2:0)
CAR 2:0
ME629543
-
-
1.09
204.123776
PC(18:2)PC(18:2_0:0)
LPC 18:2
ME629630
-
-
10.9
520.340676
PC(20:4)PC(20:4_0:0)
LPC 20:4
ME629632
-
-
10.91
544.340876
PE(18:2)PE(18:2_0:0)
LPE 18:2
ME629624
-
-
10.93
478.293476
MG(14:0_0:0_0:0)
MG 14:0
ME629587
-
-
10.98
303.252276
PC(16:0)PC(16:0_0:0)
LPC 16:0
ME629628
-
-
11.03
496.340876
FA(16:1)
Hexadecenoic acid
ME629565
-
-
11.1
255.231676
PC(18:1)PC(18:1_0:0)
LPC 18:1
ME629631
-
-
11.16
522.356576
PC(17:0)PC(17:0_0:0)
LPC 17:0
ME629629
-
-
11.25
510.356376
MG(16:0_0:0_0:0)
MG 16:0
ME629597
-
-
11.38
331.285076
oleamide
Oleamide
ME629578
-
-
11.38
282.278476
methionine
Methionine
ME629521
-
-
1.14
150.055976
PE(18:0)PE(18:0_0:0)
LPE 18:0
ME629626
-
-
11.44
482.324376
PC(20:3)PC(20:3_0:0)
LPC 20:3
ME629633
-
-
11.45
546.354376
FA(18:1)
Octadecenoic acid
ME629579
-
-
11.48
283.265876
MG(18:1_0:0_0:0)
MG 18:1
ME629602
-
-
11.48
357.300876
FA(18:2)
Octadecadienoic acid
ME629577
-
-
11.51
281.243676
PC(20:0)PC(20:0_0:0)
LPC 20:0
ME629634
-
-
11.73
552.402776
bis(2-ethylhexyl)phthalate
Bis(2-ethylhexyl)phthalate
ME629611
-
-
11.9
391.284776
SM(d32:2)
SM 32:2;O2
ME629643
-
-
12.16
673.524776
SM(d32:1)
SM 32:1;O2
ME629644
-
-
12.42
675.543276
25-hydroxy-cholesterol
25-Hydroxycholesterol
ME629610
-
-
12.43
385.348876
citrate
Citric acid
ME629537
-
-
1.25
193.034476
urate
Uric acid
ME629526
-
-
1.25
169.035876
PC(28:0)
PC 28:0
ME629645
-
-
12.53
678.505376
SM(d34:2)
SM 34:2;O2
ME629646
-
-
12.53
701.560476
GMP
GMP
ME629604
-
-
1.26
364.065476
SM(d36:3)
SM 36:3;O2
ME629649
-
-
12.62
727.570276
PC(34:4)
PC 34:4
ME629656
-
-
12.68
754.539076
PC(32:2)
PC 32:2
ME629651
-
-
12.72
730.538776
PC(34:3)
PC 34:3
ME629657
-
-
12.81
756.554176
PC(33:2)
PC 33:2
ME629655
-
-
12.95
744.551676
PC(30:0)
PC 30:0
ME629647
-
-
12.99
706.537676
SM(d36:2)
SM 36:2;O2
ME629650
-
-
12.99
729.590276
PC(32:1)
PC 32:1
ME629653
-
-
13.04
732.555376
PC(38:6)
PC 38:6
ME629666
-
-
13.08
806.570976
SM(d35:1)
SM 35:1;O2
ME629648
-
-
13.11
717.589776
PC(36:4)
PC 36:4
ME629662
-
-
13.13
782.571176
PC(34:2)
PC 34:2
ME629658
-
-
13.24
758.570976
PC(40:8)
PC 40:8
ME629669
-
-
13.28
830.567176
PC(36:3)
PC 36:3
ME629663
-
-
13.34
784.586576
alpha-tocopherol
alpha-Tocopherol
ME629620
-
-
13.39
431.387776
SM(d36:1)
SM 36:1;O2
ME629652
-
-
13.39
731.606276
PC(32:0)
PC 32:0
ME629654
-
-
13.48
734.571076
hypoxanthine
Hypoxanthine
ME629514
-
-
1.35
137.046476
urocanate
Urocanic acid
ME629515
-
-
1.35
139.050776
cholesterol
Cholesterol
ME629606
-
-
13.5
369.351776
PC(35:2)
PC 35:2
ME629660
-
-
13.51
772.589576
niacinamide
Niacinamide
ME629507
-
-
1.36
123.055976
PC(34:1)
PC 34:1
ME629659
-
-
13.61
760.586676
PC(40:6)
PC 40:6
ME629670
-
-
13.7
834.602276
PC(36:2)
PC 36:2
ME629664
-
-
13.86
786.602276
DG(32:1)
DG 32:1
ME629635
-
-
14.31
567.498876
DG(34:2)
DG 34:2
ME629638
-
-
14.62
593.515376
DG(36:3)
DG 36:3
ME629641
-
-
14.84
619.530876
pyroglutamate
Pyroglutamic acid
ME629508
-
-
1.49
130.050076
SM(d40:1)
SM 40:1;O2
ME629665
-
-
15.09
787.667976
DG(32:0)
DG 32:0
ME629636
-
-
15.12
569.514276
SM(d42:2)
SM 42:2;O2
ME629667
-
-
15.21
813.684876
DG(34:1)
DG 34:1
ME629640
-
-
15.36
595.530776
DG(36:2)DG(18:1_18:1_0:0)
DG 18:1_18:1
ME629642
-
-
15.61
621.546276
SM(d42:1)
SM 42:1;O2
ME629668
-
-
16.38
815.700076
Car(4:0-OH)
CAR 4:0;OH
ME629564
-
-
1.84
248.146476
Isoleucine
Isoleucine
ME629510
-
-
1.84
132.101876
leucine+ isoleucine
Leucine/Isoleucine
ME629511
-
-
1.84
132.101876
uracil
Uracil
ME629504
-
-
1.87
113.034576
uridine
Uridine
ME629558
-
-
1.88
245.075776
Ile-Pro
Ile-Pro
ME629550
-
-
1.89
229.152176
leucine
Leucine
ME629512
-
-
1.95
132.102176
Leu-Pro
Leu-Pro
ME629551
-
-
2.09
229.154376
Car(3:0)
CAR 3:0
ME629546
-
-
2.21
218.139276
serotonin
Serotonin
ME629531
-
-
2.36
177.099176
N-acetyllysine
N(2)-Acetyllysine
ME629535
-
-
2.38
189.123876
deoxyguanosine
Deoxyguanosine
ME629572
-
-
2.42
268.104476
S-allylcysteine
S-Allylcysteine
ME629524
-
-
2.42
162.058976
Car(5:0-OH)
CAR 5:0;OH
ME629571
-
-
2.43
262.164976
inosine
Inosine
ME629573
-
-
2.47
269.089276
Ala-Leu
Ala-Leu
ME629541
-
-
2.57
203.139176
Ser-Leu
Ser-Leu
ME629547
-
-
2.83
219.133876
N-gammaglutamylmethionine
N-gamma-Glutamylmethionine
ME629575
-
-
2.84
279.100776
2-piperidinone
2-Piperidinone
ME629500
-
-
3.05
100.075076
Car(3:0, 2-CH3)
CAR 3:0;2Me
ME629553
-
-
3.05
232.154676
Car(4:0)
CAR 4:0
ME629554
-
-
3.12
232.154976
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME629591
-
-
3.14
311.123576
pantothenate
Pantothenic acid
ME629548
-
-
3.43
220.118576
Ile-Val
Ile-Val
ME629552
-
-
3.49
231.169876
adipate
Adipic acid
ME629517
-
-
3.61
147.058676
tryptophan
Tryptophan
ME629544
-
-
3.61
205.097376
Car(5:1)
CAR 5:1
ME629556
-
-
3.7
244.154276
Car(4:0,3-CH3)
CAR 4:0;3Me
ME629563
-
-
3.9
246.170576
5'-methylthioadenosine
5'-Methylthioadenosine
ME629583
-
-
3.95
298.097176
Car(5:0)
CAR 5:0
ME629562
-
-
3.96
246.170376
Car(5:0) isomers
CAR 5:0
ME629561
-
-
3.96
246.170376
gamma-glutamylisoleucine
gamma-Glutamylisoleucine
ME629569
-
-
4.02
261.142476
gamma-glutamylleucine
gamma-Glutamylleucine
ME629570
-
-
4.17
261.144876
hippurate
Hippuric acid
ME629532
-
-
4.35
180.065876
Glu-Phe
Glu-Phe
ME629582
-
-
4.37
295.128776
Ile-Ile
Ile-Ile
ME629559
-
-
4.63
245.185576
caffeine
Caffeine
ME629538
-
-
4.76
195.091276
Leu-Ile
Leu-Ile
ME629560
-
-
4.86
245.187776
Car(6:0)
CAR 6:0
ME629568
-
-
5.02
260.186376
FA(8:0, 2-NH2)
2-Aminocaprylic acid
ME629523
-
-
5.04
160.133376
N-acetylleucine
N-Acetylleucine
ME629528
-
-
5.43
174.112776
Phe-Trp
Phe-Trp
ME629601
-
-
5.45
352.165076
Phe-Phe
Phe-Phe
ME629593
-
-
5.52
313.154876
Car(8:0-OH)
CAR 8:0;OH
ME629588
-
-
5.62
304.211776
suberate
Suberic acid
ME629529
-
-
5.84
175.097276
indoleacetate
Indoleacetic acid
ME629530
-
-
5.93
176.070576
Car(8:1)
CAR 8:1
ME629580
-
-
6
286.200876
azelaate
Azelaic acid
ME629534
-
-
6.58
189.111376
3-indolepropionate
3-Indolepropionic acid
ME629536
-
-
6.67
190.086076
Car(8:0)
CAR 8:0
ME629581
-
-
6.75
288.217176
urobilin
L-Urobilin
ME629639
-
-
7.1
595.343776
Car(10:0-OH)
CAR 10:0;OH
ME629598
-
-
7.19
332.242676
Car(9:0)
CAR 9:0
ME629585
-
-
7.26
302.232076
Car(10:1)
CAR 10:1
ME629594
-
-
7.52
314.232276
cortisol
Cortisol
ME629603
-
-
7.62
363.215576
sebacate
Sebacic acid
ME629540
-
-
7.68
203.127976
Car(10:0)
CAR 10:0
ME629595
-
-
7.98
316.248476
FA(12:0-NH2)
Aminododecanoic acid
ME629545
-
-
8.04
216.195276
diethylphthalate
Diethyl phthalate
ME629549
-
-
8.27
223.098176
Car(12:1)
CAR 12:1
ME629599
-
-
8.4
342.263576
N-undecanoylglycine
NAGly 11:0
ME629557
-
-
8.44
244.190376
Car(11:0)
CAR 11:0
ME629596
-
-
8.45
330.263376
thyroxine
Thyroxine
ME629661
-
-
8.46
777.690876
sphinganine (C16)
C16 Sphinganine
ME629574
-
-
8.52
274.274576
Car(14:2)
CAR 14:2
ME629605
-
-
8.82
368.279776
Car(12:0)
CAR 12:0
ME629600
-
-
8.85
344.280176
biliverdin
Biliverdin
ME629637
-
-
9.19
583.255976
Car(14:1)
CAR 14:1
ME629607
-
-
9.19
370.295676
3-hydroxyphenyl-valerate
3-Hydroxyphenyl valeric acid
ME629539
-
-
9.2
195.101576
Car(16:3)
CAR 16:3
ME629613
-
-
9.2
394.295176
N-lauroylglycine
NAGly 12:0
ME629567
-
-
9.23
258.206476
Car(16:2)
CAR 16:2
ME629614
-
-
9.38
396.311576
Car(14:0)
CAR 14:0
ME629608
-
-
9.5
372.311676
glycocholate
Glycocholic acid
ME629622
-
-
9.56
466.316876
sphingosine (C18)
Sphingosine
ME629584
-
-
9.67
300.290076
Car(16:1)
CAR 16:1
ME629615
-
-
9.69
398.327376
sphinganine (C18)
Sphinganine
ME629586
-
-
9.81
302.305176
Car(18:2)
CAR 18:2
ME629617
-
-
9.85
424.343176
Car(16:0)
CAR 16:0
ME629616
-
-
9.99
400.342976
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel