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 ST001212 main page
Analysis: Reversed phase POSITIVE ION MODE/Metabolites set1
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
biliverdin
Biliverdin
ME290477
-
-
1016
-
bilirubin (E,E)
Bilirubin
ME290475
-
-
1045
-
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME290488
-
-
1057
-
heme
Heme
ME290507
-
-
1124
-
decanoylcarnitine (C10)
CAR 10:0
ME290489
-
-
1130
-
octadecenedioylcarnitine (C18:1-DC)
CAR DC18:1
ME290536
-
-
1180
-
octadecanedioylcarnitine (C18-DC)
CAR DC18:0
ME290535
-
-
1227
-
laurylcarnitine (C12)
CAR 12:0
ME290512
-
-
1235
-
linolenoylcarnitine (C18:3)
CAR 18:3
ME290515
-
-
1310
-
myristoleoylcarnitine (C14:1)
CAR 14:1
ME290523
-
-
1316
-
docosahexaenoylcarnitine (C22:6)
CAR 22:6
ME290496
-
-
1349
-
myristoylcarnitine (C14)
CAR 14:0
ME290527
-
-
1350
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME290469
-
-
1353
-
palmitoleoylcarnitine (C16:1)
CAR 16:1
ME290547
-
-
1357
-
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME290592
-
-
1375
-
docosahexaenoylcholine
-
ME290497
-
-
1378
-
linoleoylcholine
alpha-Linoleoylcholine
ME290521
-
-
1388
-
arachidonoylcholine
Arachidonoylcholine
ME290470
-
-
1390
-
dihomo-linolenoylcarnitine (C20:3n3 or 6)
CAR 20:3
ME290494
-
-
1392
-
sphingosine
Sphingosine
ME290591
-
-
1393
-
1-linolenoyl-GPC (18:3)
LPC 18:3
ME290419
-
-
1410
-
sphinganine
Sphinganine
ME290564
-
-
1413
-
oleoylcarnitine (C18:1)
CAR 18:1
ME290544
-
-
1423
-
margaroylcarnitine (C17)
CAR 17:0
ME290522
-
-
1424
-
palmitoylcarnitine (C16)
CAR 16:0
ME290561
-
-
1425
-
linoleoylcarnitine (C18:2)
CAR 18:2
ME290520
-
-
1430
-
sphinganine-1-phosphate
Sphinganine 1-phosphate
ME290565
-
-
1431
-
dihomo-linoleoylcarnitine (C20:2)
CAR 20:2
ME290495
-
-
1436
-
oleoylcholine
Oleoylcholine
ME290545
-
-
1449
-
1-palmitoleoyl-GPC (16:1)
LPC 16:1/0:0
ME290433
-
-
1450
-
1-arachidonoyl-GPC (20:4n6)
LPC 20:4/0:0
ME290414
-
-
1460
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME290422
-
-
1465
-
1-arachidonoyl-GPE (20:4n6)
LPE 20:4/0:0
ME290415
-
-
1470
-
1-linoleoyl-GPE (18:2)
LPE 18:2/0:0
ME290423
-
-
1482
-
palmitoylcholine
Palmitoylcholine
ME290562
-
-
1482
-
stearoylcarnitine (C18)
CAR 18:0
ME290596
-
-
1485
-
arachidoylcarnitine (C20)
CAR 20:0
ME290471
-
-
1512
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME290447
-
-
1525
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME290429
-
-
1540
-
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME290417
-
-
1542
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME290448
-
-
1544
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)
LPC P-16:0 or LPC O-16:1
ME290408
-
-
1547
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME290430
-
-
1554
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)
LPE P-16:0 or LPE O-16:1
ME290409
-
-
1558
-
1-(1-enyl-oleoyl)-GPE (P-18:1)
LPE P-18:1 or LPE O-18:2
ME290399
-
-
1566
-
1-arachidonylglycerol (20:4)
MG 20:4
ME290416
-
-
1568
-
1-linoleoylglycerol (18:2)
MG 18:2
ME290424
-
-
1595
-
lignoceroylcarnitine (C24)
CAR 24:0
ME290514
-
-
1603
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME290462
-
-
1606
-
ximenoylcarnitine (C26:1)
CAR 26:1
ME290598
-
-
1607
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME290463
-
-
1626
-
retinol (Vitamin A)
Retinol
ME290563
-
-
1636
-
1-(1-enyl-stearoyl)-GPE (P-18:0)
LPE P-18:0 or LPE O-18:1
ME290413
-
-
1649
-
cerotoylcarnitine (C26)
CAR 26:0
ME290486
-
-
1649
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME290449
-
-
1689
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME290431
-
-
1695
-
carotene diol (1)
Carotene diol
ME290478
-
-
1720
-
sphingomyelin (d17:2/16:0, d18:2/15:0)
SM 33:2;O2
ME290568
-
-
1837
-
bilirubin (Z,Z)
Bilirubin
ME290476
-
-
1840
-
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)
PC 16:1_18:3
ME290432
-
-
1850
-
sphingomyelin (d18:2/14:0, d18:1/14:1)
SM 32:2;O2
ME290583
-
-
1860
-
carotene diol (2)
Carotene diol
ME290479
-
-
1904
-
sphingomyelin (d18:2/18:1)
SM 18:2;O2/18:1
ME290585
-
-
1904
-
1-lignoceroyl-GPC (24:0)
LPC 24:0/0:0
ME290418
-
-
1907
-
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)
PC 14:0/20:4
ME290425
-
-
1914
-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)
PC 18:2/18:3
ME290421
-
-
1939
-
carotene diol (3)
Carotene diol
ME290480
-
-
1948
-
sphingomyelin (d17:1/14:0, d16:1/15:0)
SM 31:1;O2
ME290566
-
-
1950
-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)
PC 18:2/20:4
ME290420
-
-
1969
-
sphingomyelin (d18:1/14:0, d16:1/16:0)
SM 32:1;O2
ME290571
-
-
1998
-
sphingomyelin (d18:2/16:0, d18:1/16:1)
SM 34:2;O2
ME290584
-
-
2002
-
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME290464
-
-
2006
-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)
PC 18:1/22:6
ME290427
-
-
2011
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME290437
-
-
2023
-
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)
SM 18:1;O2/20:2
ME290577
-
-
2039
-
myristoyl dihydrosphingomyelin (d18:0/14:0)
SM 18:0;O2/14:0
ME290524
-
-
2060
-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)
SM 33:1;O2
ME290567
-
-
2082
-
1,2-dilinoleoyl-GPE (18:2/18:2)
PE 18:2/18:2
ME290465
-
-
2083
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME290434
-
-
2091
-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)
PE 16:0/22:6
ME290438
-
-
2119
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME290426
-
-
2147
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...
PC P-16:0/20:4 or PC O-16:1/20:4
ME290400
-
-
2154
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME290439
-
-
2160
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)
PC 16:0/16:1
ME290445
-
-
2160
-
sphingomyelin (d18:1/18:1, d18:2/18:0)
SM 36:2;O2
ME290573
-
-
2167
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME290549
-
-
2168
-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
PC 18:0/22:6
ME290453
-
-
2197
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)
PE 16:0/20:4
ME290435
-
-
2198
-
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)
SM 40:3;O2
ME290580
-
-
2209
-
sphingomyelin (d18:2/24:2)
SM 18:2;O2/24:2
ME290590
-
-
2215
-
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...
PC P-16:0/16:1 or PC O-16:1/16:1
ME290406
-
-
2218
-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)
PC P-16:0/18:2 or PC O-16:1/18:2
ME290402
-
-
2226
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...
PE P-16:0/20:4 or PE O-16:1/20:4
ME290401
-
-
2270
-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)
PE 18:1/18:2
ME290428
-
-
2270
-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)
PE 16:0/18:2
ME290440
-
-
2275
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)
SM 18:0;O2/16:0
ME290548
-
-
2290
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME290450
-
-
2300
-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME290572
-
-
2312
-
sphingomyelin (d18:2/23:1)
SM 18:2;O2/23:1
ME290588
-
-
2315
-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)
PE 18:0/22:6
ME290454
-
-
2317
-
sphingomyelin (d18:1/19:0, d19:1/18:0)
SM 37:1;O2
ME290574
-
-
2330
-
sphingomyelin (d18:2/21:0, d16:2/23:0)
SM 39:2;O2
ME290586
-
-
2330
-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)
PE P-16:0/18:2 or PE O-16:1/18:2
ME290403
-
-
2351
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME290442
-
-
2358
-
sphingomyelin (d18:0/18:0, d19:0/17:0)
SM 36:0;O2
ME290569
-
-
2362
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME290466
-
-
2365
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)
PC 18:0/18:2
ME290455
-
-
2380
-
sphingomyelin (d18:1/20:1, d18:2/20:0)
SM 38:2;O2
ME290576
-
-
2383
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME290498
-
-
2384
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME290593
-
-
2400
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME290451
-
-
2424
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]
DG 18:2_18:3
ME290518
-
-
2426
-
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)
PC P-16:0/18:1 or PC O-16:1/18:1
ME290404
-
-
2443
-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]
DG 18:2_22:6
ME290517
-
-
2450
-
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)
PC P-16:0/16:0 or PC O-16:1/16:0
ME290407
-
-
2454
-
ceramide (d18:1/14:0, d16:1/16:0)
Cer 36:1;O2
ME290482
-
-
2477
-
N-palmitoyl-sphingadienine (d18:2/16:0)
Cer 18:2;O2/16:0
ME290529
-
-
2490
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME290443
-
-
2509
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME290410
-
-
2511
-
4-cholesten-3-one
Cholestenone
ME290467
-
-
2520
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)
PE 18:0/18:2
ME290456
-
-
2522
-
alpha-tocopherol
alpha-Tocopherol
ME290468
-
-
2522
-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)
LacCer 18:1;O2/16:0
ME290511
-
-
2527
-
beta-cryptoxanthin
Cryptoxanthin
ME290474
-
-
2560
-
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)
PI 16:0/20:4
ME290436
-
-
2567
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]
DG 18:2_20:4
ME290516
-
-
2590
-
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)
PE P-16:0/18:1 or PE O-16:1/18:1
ME290405
-
-
2600
-
sphingomyelin (d18:0/20:0, d16:0/22:0)
SM 38:0;O2
ME290570
-
-
2600
-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
HexCer 18:1;O2/16:0
ME290505
-
-
2623
-
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)
PE P-18:0/18:2 or PE O-18:1/18:2
ME290411
-
-
2633
-
sphingomyelin (d18:2/24:1, d18:1/24:2)
SM 42:3;O2
ME290589
-
-
2635
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME290458
-
-
2644
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME290446
-
-
2653
-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]
DG 16:1_18:2
ME290546
-
-
2664
-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)
SM 40:2;O2
ME290579
-
-
2666
-
myristoyl-linoleoyl-glycerol (14:0/18:2) [1]
DG 14:0_18:2
ME290525
-
-
2679
-
sphingomyelin (d18:1/20:0, d16:1/22:0)
SM 38:1;O2
ME290575
-
-
2685
-
cholesterol
Cholesterol
ME290487
-
-
2707
-
diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [...
DG 30:1
ME290490
-
-
2716
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]
DG 18:2_18:2
ME290519
-
-
2720
-
myristoyl-linoleoyl-glycerol (14:0/18:2) [2]
DG 14:0_18:2
ME290526
-
-
2720
-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)
PI 16:0/18:2
ME290441
-
-
2730
-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])
DG 34:3
ME290493
-
-
2733
-
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]
DG 16:0_22:6
ME290552
-
-
2749
-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)
SM 39:1;O2
ME290578
-
-
2793
-
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)
SM 41:2;O2
ME290587
-
-
2845
-
N-stearoyl-sphingadienine (d18:2/18:0)
Cer 18:2;O2/18:0
ME290532
-
-
2846
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME290459
-
-
2858
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME290531
-
-
2893
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]
DG 18:1_20:4
ME290538
-
-
2907
-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]
DG 16:0_20:4
ME290550
-
-
2916
-
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)
PE P-18:0/18:1 or PE O-18:1/18:1
ME290412
-
-
2950
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]
DG 18:1_20:4
ME290539
-
-
2990
-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
PI 18:0/20:4
ME290452
-
-
3000
-
1-stearoyl-2-oleoyl-GPS (18:0/18:1)
PS 18:0/18:1
ME290461
-
-
3000
-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]
DG 16:0_20:4
ME290551
-
-
3015
-
sphingomyelin (d18:1/24:1, d18:2/24:0)
SM 42:2;O2
ME290581
-
-
3033
-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)
HexCer 18:1;O2/18:0
ME290506
-
-
3053
-
palmitoyl-myristoyl-glycerol (16:0/14:0) [1]
DG 14:0_16:0
ME290555
-
-
3054
-
ceramide (d18:1/17:0, d17:1/18:0)
Cer 35:1;O2
ME290483
-
-
3055
-
diacylglycerol (14:0/18:1, 16:0/16:1) [1]
DG 32:1
ME290491
-
-
3057
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]
DG 16:0_18:2
ME290553
-
-
3080
-
behenoyl sphingomyelin (d18:1/22:0)
SM 18:1;O2/22:0
ME290473
-
-
3083
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME290530
-
-
3090
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
DG 18:1_18:2
ME290540
-
-
3115
-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)
PI 16:0/18:1
ME290444
-
-
3140
-
behenoyl dihydrosphingomyelin (d18:0/22:0)
SM 18:0;O2/22:0
ME290472
-
-
3150
-
palmitoyl-myristoyl-glycerol (16:0/14:0) [2]
DG 14:0_16:0
ME290556
-
-
3180
-
diacylglycerol (14:0/18:1, 16:0/16:1) [2]
DG 32:1
ME290492
-
-
3183
-
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)
PI 18:0/18:2
ME290457
-
-
3185
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]
DG 16:0_18:2
ME290554
-
-
3197
-
tricosanoyl sphingomyelin (d18:1/23:0)
SM 18:1;O2/23:0
ME290597
-
-
3200
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME290541
-
-
3223
-
glycosyl ceramide (d16:1/24:1, d18:1/22:1)
HexCer 40:2;O2
ME290499
-
-
3373
-
glycosyl ceramide (d18:2/24:1, d18:1/24:2)
HexCer 42:3;O2
ME290502
-
-
3380
-
N-stearoyl-sphingosine (d18:1/18:0)
Cer 18:1;O2/18:0
ME290534
-
-
3392
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]
DG 18:0_20:4
ME290594
-
-
3404
-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)
HexCer 38:1;O2
ME290500
-
-
3414
-
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)
HexCer 18:2;O2/22:0
ME290504
-
-
3420
-
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME290513
-
-
3437
-
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...
SM 43:1;O2
ME290582
-
-
3500
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]
DG 18:0_20:4
ME290595
-
-
3522
-
N-stearoyl-sphinganine (d18:0/18:0)
Cer 18:0;O2/18:0
ME290533
-
-
3526
-
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]
DG 16:0_18:1
ME290557
-
-
3562
-
palmitoyl-palmitoyl-glycerol (16:0/16:0) [1]
DG 16:0_16:0
ME290559
-
-
3568
-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]
DG 18:1_18:1
ME290542
-
-
3571
-
glycosyl ceramide (d18:1/23:1, d17:1/24:1)
HexCer 41:2;O2
ME290501
-
-
3667
-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]
DG 18:1_18:1
ME290543
-
-
3695
-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]
DG 16:0_18:1
ME290558
-
-
3695
-
1-stearoyl-2-oleoyl-GPI (18:0/18:1)
PI 18:0/18:1
ME290460
-
-
3711
-
palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]
DG 16:0_16:0
ME290560
-
-
3734
-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)
LacCer 18:1;O2/24:1
ME290510
-
-
3778
-
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1...
HexCer 18:1;O2/24:1;O
ME290503
-
-
3839
-
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)
LacCer 18:1;O2/22:0
ME290509
-
-
3842
-
ceramide (d16:1/24:1, d18:1/22:1)
Cer 40:2;O2
ME290481
-
-
3850
-
ceramide (d18:2/24:1, d18:1/24:2)
Cer 42:3;O2
ME290485
-
-
3858
-
N-behenoyl-sphingadienine (d18:2/22:0)
Cer 18:2;O2/22:0
ME290528
-
-
3911
-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)
Cer 38:1;O2
ME290484
-
-
3920
-
hexanoylcarnitine (C6)
CAR 6:0
ME290508
-
-
800
-
octanoylcarnitine (C8)
CAR 8:0
ME290537
-
-
950
-
Analysis: Reversed phase POSITIVE ION MODE/Metabolites set2
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
adenosine 5'-monophosphate (AMP)
AMP
ME290628
-
-
1013
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME290689
-
-
1035
-
N-acetylglutamate
N-Acetylglutamic acid
ME290693
-
-
1050
-
betaine
Betaine
ME290636
-
-
1064
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME290727
-
-
1064
-
dimethylglycine
Dimethylglycine
ME290652
-
-
1104
-
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME290619
-
-
1141
-
hydroxyasparagine
Hydroxyasparagine
ME290671
-
-
1149
-
aspartate
Aspartic acid
ME290634
-
-
1165
-
asparagine
Asparagine
ME290633
-
-
1225
-
serine
Serine
ME290719
-
-
1239
-
methionine sulfone
Methionine sulfone
ME290686
-
-
1250
-
thioproline
Thioproline
ME290725
-
-
1250
-
methionine sulfoxide
Methionine sulfoxide
ME290687
-
-
1272
-
sarcosine
Sarcosine
ME290718
-
-
1280
-
glutamine
Glutamine
ME290665
-
-
1291
-
N-methylproline
N-Methyl-proline
ME290698
-
-
1335
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME290617
-
-
1350
-
glycine
Glycine
ME290669
-
-
1375
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME290728
-
-
1388
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME290659
-
-
1430
-
stachydrine
Stachydrine
ME290720
-
-
1440
-
cysteine
Cysteine
ME290647
-
-
1488
-
glutamate
Glutamic acid
ME290664
-
-
1500
-
threonine
Threonine
ME290726
-
-
1514
-
citrulline
Citrulline
ME290642
-
-
1520
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME290716
-
-
1528
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME290660
-
-
1535
-
theobromine
Theobromine
ME290724
-
-
1600
-
proline
Proline
ME290712
-
-
1603
-
gamma-glutamylcitrulline
-
ME290657
-
-
1644
-
2-methylserine
2-Methylserine
ME290607
-
-
1652
-
2-piperidinone
2-Piperidinone
ME290609
-
-
1675
-
alanine
Alanine
ME290630
-
-
1700
-
lanthionine
Lanthionine
ME290681
-
-
1730
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME290663
-
-
1750
-
2-oxoarginine
2-Oxoarginine
ME290608
-
-
1760
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME290658
-
-
1775
-
formiminoglutamate
Formiminoglutamic acid
ME290654
-
-
1880
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME290622
-
-
1893
-
pyroglutamine
Pyroglutamine
ME290714
-
-
1900
-
beta-alanine
beta-Alanine
ME290635
-
-
1905
-
N-methylpipecolate
N-methyl pipecolic acid
ME290697
-
-
1932
-
1-methylnicotinamide
1-Methyl nicotinamide
ME290602
-
-
1940
-
nicotinamide
Niacinamide
ME290704
-
-
1942
-
creatine
Creatine
ME290643
-
-
1947
-
choline
Choline
ME290640
-
-
1961
-
carnitine
Carnitine
ME290638
-
-
1978
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME290656
-
-
1986
-
cystine
Cystine
ME290649
-
-
2000
-
1-ribosyl-imidazoleacetate
Imidazoleacetic acid riboside
ME290603
-
-
2006
-
imidazole lactate
Imidazolelactic acid
ME290673
-
-
2040
-
deoxycarnitine
3-Dehydroxycarnitine
ME290650
-
-
2052
-
4-imidazoleacetate
Imidazoleacetic acid
ME290620
-
-
2055
-
creatinine
Creatinine
ME290644
-
-
2055
-
2-aminobutyrate
2-Aminobutyric acid
ME290604
-
-
2059
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME290600
-
-
2064
-
N-acetylhistidine
N-Acetylhistidine
ME290695
-
-
2065
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME290729
-
-
2100
-
N1-methyladenosine
1-Methyladenosine
ME290700
-
-
2120
-
pro-hydroxy-pro
Pro-hydroxyPro
ME290711
-
-
2128
-
argininate
Argininic acid
ME290631
-
-
2150
-
N-trimethyl 5-aminovalerate
-
ME290699
-
-
2186
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME290611
-
-
2190
-
pipecolate
Pipecolic acid
ME290710
-
-
2200
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME290702
-
-
2210
-
adenine
Adenine
ME290627
-
-
2221
-
N-acetylputrescine
N-Acetylputrescine
ME290696
-
-
2230
-
N-acetylarginine
N-Acetylarginine
ME290691
-
-
2245
-
imidazole propionate
Imidazole propanoate
ME290674
-
-
2263
-
cystathionine
Cystathionine
ME290646
-
-
2270
-
acetylcarnitine (C2)
CAR 2:0
ME290626
-
-
2282
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME290722
-
-
2291
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME290690
-
-
2305
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME290618
-
-
2320
-
3-hydroxybutyrylcarnitine (2)
CAR 4:0;3OH
ME290613
-
-
2340
-
glutarylcarnitine (C5-DC)
CAR DC5:0
ME290666
-
-
2393
-
3-hydroxybutyrylcarnitine (1)
CAR 4:0;3OH
ME290612
-
-
2400
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME290610
-
-
2411
-
tyrosine
Tyrosine
ME290732
-
-
2430
-
valine
Valine
ME290734
-
-
2479
-
methionine
Methionine
ME290685
-
-
2526
-
cysteinylglycine disulfide
Cysteinylglycine disulfide
ME290648
-
-
2547
-
3-methoxytyrosine
3-Methoxytyrosine
ME290614
-
-
2555
-
adipoylcarnitine (C6-DC)
CAR DC5:0
ME290629
-
-
2570
-
propionylcarnitine (C3)
CAR 3:0
ME290713
-
-
2590
-
tryptophan betaine
Lenticin
ME290731
-
-
2673
-
kynurenine
Kynurenine
ME290680
-
-
2739
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME290661
-
-
2740
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME290624
-
-
2752
-
1-methylhistidine
1-Methylhistidine
ME290601
-
-
2755
-
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME290621
-
-
2755
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME290655
-
-
2784
-
5-hydroxylysine
5-Hydroxylysine
ME290623
-
-
2790
-
isoleucine
Isoleucine
ME290678
-
-
2800
-
ornithine
Ornithine
ME290705
-
-
2800
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME290677
-
-
2810
-
arginine
Arginine
ME290632
-
-
2825
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME290703
-
-
2825
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME290651
-
-
2850
-
lysine
Lysine
ME290684
-
-
2850
-
butyrylcarnitine (C4)
CAR 4:0
ME290637
-
-
2860
-
leucine
Leucine
ME290682
-
-
2864
-
phenylalanine
Phenylalanine
ME290706
-
-
2878
-
homoarginine
Homoarginine
ME290670
-
-
2882
-
carnosine
Carnosine
ME290639
-
-
2942
-
cys-gly, oxidized
CYS-GLY, oxidized
ME290645
-
-
2947
-
suberoylcarnitine (C8-DC)
CAR DC8:0
ME290721
-
-
2964
-
tryptophan
Tryptophan
ME290730
-
-
2986
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME290662
-
-
2992
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME290606
-
-
3050
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME290599
-
-
3080
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME290679
-
-
3085
-
N1,N12-diacetylspermine
N1,N12-Diacetylspermine
ME290701
-
-
3105
-
indoleacetylcarnitine
-
ME290676
-
-
3114
-
lidocaine
Lidocaine
ME290683
-
-
3250
-
phosphate
Phosphoric acid
ME290707
-
-
576
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME290667
-
-
580
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME290615
-
-
590
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME290668
-
-
659
-
taurine
Taurine
ME290723
-
-
660
-
choline phosphate
Choline phosphate
ME290641
-
-
700
-
phosphoethanolamine
Phosphoethanolamine
ME290708
-
-
700
-
urea
Urea
ME290733
-
-
700
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME290692
-
-
715
-
hypotaurine
Hypotaurine
ME290672
-
-
724
-
5-methylthioribose
5-Methylthioribose
ME290625
-
-
790
-
iminodiacetate (IDA)
Iminodiacetate
ME290675
-
-
808
-
N-acetylglycine
N-Acetylglycine
ME290694
-
-
826
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME290688
-
-
832
-
quinolinate
Quinolinic acid
ME290715
-
-
845
-
ergothioneine
Ergothioneine
ME290653
-
-
850
-
3-ureidopropionate
Ureidopropionic acid
ME290616
-
-
875
-
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME290717
-
-
900
-
picolinate
Picolinic acid
ME290709
-
-
910
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME290605
-
-
958
-
Analysis: Reversed phase NEGATIVE ION MODE/Metabolites set3
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME290837
-
-
1027
-
N6-acetyllysine
N6-Acetyllysine
ME290936
-
-
1059
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME290870
-
-
1072
-
pseudouridine
Pseudouridine
ME290962
-
-
1100
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME290816
-
-
1119
-
N-acetylcarnosine
N-Acetylcarnosine
ME290912
-
-
1235
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME290869
-
-
1240
-
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME290812
-
-
1267
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME290867
-
-
1268
-
azelate (C9-DC)
Azelaic acid
ME290835
-
-
1276
-
hypoxanthine
Hypoxanthine
ME290893
-
-
1291.2
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME290784
-
-
1379
-
uridine
Uridine
ME290986
-
-
1457.6
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME290795
-
-
1465
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME290804
-
-
1475
-
xanthurenate
Xanthurenic acid
ME290991
-
-
1476
-
valylglutamine
Val-Gln
ME290987
-
-
1484
-
pantothenate
Pantothenic acid
ME290950
-
-
1498.7
-
valylglycine
Val-Gly
ME290988
-
-
1506
-
hydroxy-CMPF
-
ME290891
-
-
1516
-
N-formylmethionine
N-Formylmethionine
ME290924
-
-
1543.8
-
dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME290858
-
-
1556.2
-
tyramine O-sulfate
Tyramine-O-sulfate
ME290984
-
-
1565
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME290792
-
-
1595.5
-
gamma-glutamylisoleucine
gamma-Glutamylisoleucine
ME290865
-
-
1600
-
inosine
Inosine
ME290897
-
-
1602.1
-
vanillactate
Vanillactic acid
ME290989
-
-
1625
-
5,6-dihydrothymine
Dihydrothymine
ME290815
-
-
1637.8
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME290932
-
-
1668
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME290761
-
-
1677
-
N-acetyltyrosine
N-Acetyltyrosine
ME290920
-
-
1680
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME290866
-
-
1685
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME290805
-
-
1690
-
N-acetylvaline
N-Acetylvaline
ME290921
-
-
1704
-
indole-3-carboxylic acid
Indole-3-carboxylic acid
ME290894
-
-
1710
-
3-methoxytyramine sulfate
3-Methoxytyramine sulfate
ME290794
-
-
1722
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME290788
-
-
1725
-
7-methylguanine
7-Methylguanine
ME290822
-
-
1729.7
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME290838
-
-
1777
-
5-methyluridine (ribothymidine)
Ribothymidine
ME290813
-
-
1778.1
-
N-acetylmethionine
N-Acetylmethionine
ME290915
-
-
1787
-
sebacate (C10-DC)
Sebacic acid
ME290967
-
-
1788
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME290762
-
-
1800
-
2'-O-methyluridine
2'-O-Methyluridine
ME290781
-
-
1831
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME290965
-
-
1832.4
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME290829
-
-
1840
-
N1-methylinosine
1-Methylinosine
ME290933
-
-
1874
-
catechol sulfate
Catechol sulfate
ME290842
-
-
1906
-
isovalerylglycine
Isovalerylglycine
ME290899
-
-
1950
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME290868
-
-
1960
-
N2-methylguanosine
2-Methylguanosine
ME290934
-
-
1988
-
isoleucylglycine
Ile-Gly
ME290898
-
-
1992
-
N4-acetylcytidine
N4-Acetylcytidine
ME290935
-
-
2040
-
leucylglycine
Leu-Gly
ME290902
-
-
2050
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME290796
-
-
2064.2
-
hippurate
Hippuric acid
ME290888
-
-
2106.9
-
N-formylanthranilic acid
Formylanthranilic acid
ME290923
-
-
2150
-
phenol sulfate
Phenyl hydrogen sulfate
ME290954
-
-
2156
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME290937
-
-
2164
-
4-methyl-2-oxopentanoate
Ketoleucine
ME290807
-
-
2170
-
2-hydroxyhippurate (salicylurate)
Salicyluric acid
ME290766
-
-
2184
-
pyridoxate
4-Pyridoxic acid
ME290963
-
-
2185
-
indoleacetate
Indoleacetic acid
ME290895
-
-
2200
-
phenyllactate (PLA)
Phenyllactic acid
ME290956
-
-
2208
-
3-indoxyl sulfate
Indoxyl sulfate
ME290793
-
-
2222.2
-
kynurenate
Kynurenic acid
ME290900
-
-
2224
-
indolelactate
Indolelactic acid
ME290896
-
-
2286
-
acisoga
Acisoga
ME290825
-
-
2297
-
N-acetylisoleucine
N-Acetylisoleucine
ME290913
-
-
2325
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME290955
-
-
2330
-
guaiacol sulfate
Guaiacol sulfate
ME290881
-
-
2344
-
N-formylphenylalanine
N-Formylphenylalanine
ME290925
-
-
2360
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME290759
-
-
2384
-
N-acetylleucine
N-Acetylleucine
ME290914
-
-
2400
-
4-methoxyphenol sulfate
4-Methoxyphenol sulfate
ME290806
-
-
2412
-
6-hydroxyindole sulfate
6-Hydroxyindole sulfate
ME290819
-
-
2498
-
phenylpyruvate
Phenylpyruvic acid
ME290957
-
-
2515
-
N6-methyladenosine
N6-Methyladenosine
ME290938
-
-
2593
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME290916
-
-
2597
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME290919
-
-
2630
-
4-methylcatechol sulfate
-
ME290808
-
-
2665
-
caproate (6:0)
Caproic acid
ME290840
-
-
2713.7
-
hexanoylglutamine
Hexanoylglutamine
ME290887
-
-
2780
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME290786
-
-
2800
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME290907
-
-
2873
-
p-cresol sulfate
p-Cresol sulfate
ME290947
-
-
2890
-
dodecanedioate (C12-DC)
Dodecanedioic acid
ME290857
-
-
2990
-
alpha-CEHC sulfate
alpha-CEHC sulfate
ME290828
-
-
3090
-
4-vinylphenol sulfate
4-Hydroxystyrene
ME290809
-
-
3320
-
2-aminooctanoate
2-Aminocaprylic acid
ME290760
-
-
3385
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME290790
-
-
3446
-
5-bromotryptophan
5-Bromo-tryptophan
ME290810
-
-
3525
-
4-ethylphenylsulfate
4-Ethylphenol
ME290802
-
-
3580
-
heptanoate (7:0)
Heptylic acid
ME290882
-
-
3670
-
HWESASXX
-
ME290890
-
-
3722
-
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME290770
-
-
3736.8
-
androstenediol (3beta,17beta) disulfate (1)
4-Androsten-3beta,17beta-diol disulfate
ME290831
-
-
3740
-
4-allylphenol sulfate
4-Allylphenol sulfate
ME290801
-
-
3805
-
3,4-methyleneheptanoate
-
ME290797
-
-
3807
-
gamma-CEHC
gamma-CEHC
ME290864
-
-
3843
-
pregnenediol disulfate (C21H34O8S2)
-
ME290959
-
-
3868
-
andro steroid monosulfate C19H28O6S (1)
-
ME290830
-
-
3871
-
21-hydroxypregnenolone disulfate
21-Hydroxypregnenolone
ME290782
-
-
3935
-
N-acetyl-2-aminooctanoate
N-Acetyl-2-aminooctanoic acid
ME290910
-
-
3943
-
5alpha-pregnan-3beta,20alpha-diol disulfate
5alpha-Pregnan-3beta,20alpha-diol disulfate
ME290817
-
-
3962
-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
ME290785
-
-
4000
-
tetradecanedioate (C14-DC)
Tetradecanedioic acid
ME290981
-
-
4000
-
androstenediol (3beta,17beta) disulfate (2)
4-Androsten-3beta,17beta-diol disulfate
ME290832
-
-
4065
-
3,4-methyleneheptanoylcarnitine
-
ME290798
-
-
4096
-
16a-hydroxy DHEA 3-sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME290756
-
-
4240
-
glycine conjugate of C10H14O2 (1)
-
ME290872
-
-
4335
-
caprylate (8:0)
Caprylic acid
ME290841
-
-
4362
-
hexadecenedioate (C16:1-DC)
-
ME290886
-
-
4380
-
thymol sulfate
-
ME290982
-
-
4410
-
4-hydroxychlorothalonil
4-Hydroxychlorothalonil
ME290803
-
-
4427
-
cortisone
Cortisone
ME290847
-
-
4575
-
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME290884
-
-
4615
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME290787
-
-
4634.7
-
octadecadienedioate (C18:2-DC)
Octadecanedioic acid
ME290942
-
-
4676
-
cortisol
Cortisol
ME290846
-
-
4710
-
21-hydroxypregnenolone monosulfate (2)
-
ME290783
-
-
4711
-
dehydroisoandrosterone sulfate (DHEA-S)
Dehydroepiandrosterone sulfate
ME290848
-
-
4745
-
glycocholenate sulfate
Glycocholenate sulfate
ME290877
-
-
4750
-
taurocholenate sulfate
Taurocholenate sulfate
ME290977
-
-
4750
-
17alpha-hydroxypregnenolone 3-sulfate
-
ME290758
-
-
4800
-
glycochenodeoxycholate glucuronide (1)
Glycochenodeoxycholic acid 3-glucuronide
ME290874
-
-
4806
-
thyroxine
Thyroxine
ME290983
-
-
4808
-
glycochenodeoxycholate sulfate
-
ME290875
-
-
4820
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME290765
-
-
4840
-
octadecenedioate (C18:1-DC)
-
ME290944
-
-
4875
-
pregnenediol sulfate (C21H34O5S)
Pregnenolone sulfate
ME290960
-
-
5000
-
taurohyocholate
Taurohyocholic acid
ME290978
-
-
5000
-
glycolithocholate sulfate
Sulfoglycolithocholic acid
ME290879
-
-
5011
-
glycohyocholate
Glycohyocholic acid
ME290878
-
-
5020
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME290980
-
-
5025
-
taurolithocholate 3-sulfate
Taurolithocholic acid sulfate
ME290979
-
-
5027
-
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME290880
-
-
5033
-
octadecanedioate (C18-DC)
Octadecanedioic acid
ME290943
-
-
5043
-
hyocholate
Hyocholic acid
ME290892
-
-
5046
-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)
-
ME290818
-
-
5060
-
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME290751
-
-
5085.8
-
caprate (10:0)
Capric acid
ME290839
-
-
5090.7
-
pregnenolone sulfate
Pregnenolone sulfate
ME290961
-
-
5100
-
perfluorooctanoate (PFOA)
Perfluorooctanoic acid
ME290953
-
-
5130
-
12,13-DiHOME
12,13-DiHOME
ME290752
-
-
5137
-
dodecadienoate (12:2)
Dodecadienoic acid
ME290856
-
-
5146
-
taurocholate
Taurocholic acid
ME290976
-
-
5150
-
glycocholate
Glycocholic acid
ME290876
-
-
5163
-
cholate
Cholic acid
ME290844
-
-
5165
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME290789
-
-
5175
-
9,10-DiHOME
9,10-DiHOME
ME290824
-
-
5180
-
eicosanodioate (C20-DC)
Eicosanedioic acid
ME290860
-
-
5200.9
-
2-hydroxylaurate
2-Hydroxylauric acid
ME290767
-
-
5211
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME290811
-
-
5224
-
perfluorooctanesulfonic acid (PFOS)
Perfluorooctanesulfonic acid
ME290952
-
-
5233
-
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME290873
-
-
5236.1
-
16-hydroxypalmitate
Juniperic acid
ME290755
-
-
5236.2
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME290975
-
-
5250
-
chenodeoxycholate
Chenodeoxycholic acid
ME290843
-
-
5264
-
13-HODE + 9-HODE
HODE
ME290753
-
-
5275
-
3beta,7alpha-dihydroxy-5-cholestenoate
3beta,7alpha-Dihydroxy-5-cholestenoic acid
ME290800
-
-
5275
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME290821
-
-
5288.1
-
docosadioate (C22-DC)
Docosanedioic acid
ME290852
-
-
5291.8
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME290836
-
-
530
-
laurate (12:0)
Lauric acid
ME290901
-
-
5300
-
hexadecatrienoate (16:3n3)
7,10,13-Hexadecatrienoic acid
ME290885
-
-
5330
-
myristoleate (14:1n5)
Myristoleic acid
ME290909
-
-
5346.9
-
2-hydroxymyristate
2-Hydroxymyristic acid
ME290768
-
-
5364
-
9-hydroxystearate
9-Hydroxy stearic acid
ME290823
-
-
5384
-
stearidonate (18:4n3)
Stearidonic acid
ME290969
-
-
5395
-
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME290799
-
-
5398
-
hexadecadienoate (16:2n6)
Hexadecadienoic acid
ME290883
-
-
5398
-
myristate (14:0)
Myristic acid
ME290908
-
-
5440
-
eicosapentaenoate (EPA; 20:5n3)
Eicosapentaenoic acid
ME290861
-
-
5450
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME290904
-
-
5450
-
palmitoleate (16:1n7)
Palmitoleic acid
ME290949
-
-
5475
-
1-arachidonoyl-GPI (20:4)
LPI 20:4/0:0
ME290735
-
-
5482
-
1-linoleoyl-GPI (18:2)
LPI 18:2/0:0
ME290739
-
-
5494
-
3-hydroxyoleate
-
ME290791
-
-
5508
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME290772
-
-
5511.2
-
1-linoleoyl-GPG (18:2)
LPG 18:2/0:0
ME290738
-
-
5516
-
pentadecanoate (15:0)
Pentadecylic acid
ME290951
-
-
5521
-
docosahexaenoate (DHA; 22:6n3)
LPC 22:6
ME290853
-
-
5525
-
arachidonate (20:4n6)
Arachidonic acid
ME290834
-
-
5535
-
linoleate (18:2n6)
Linoleic acid
ME290903
-
-
5535
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME290749
-
-
5555
-
N-palmitoylserine
N-Palmitoyl serine
ME290929
-
-
5557
-
2-hydroxyoleate
2-Hydroxyoleic acid
ME290771
-
-
5560
-
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME290745
-
-
5564
-
1-palmitoyl-GPG (16:0)
LPG 16:0/0:0
ME290744
-
-
5570
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME290854
-
-
5571
-
N-palmitoylglycine
N-Palmitoyl glycine
ME290928
-
-
5580
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME290850
-
-
5596
-
1-oleoyl-GPI (18:1)
LPI 18:1/0:0
ME290742
-
-
5599
-
N-oleoylserine
NASer 18:1(9Z)
ME290926
-
-
5600
-
1-oleoyl-GPG (18:1)
LPG 18:1/0:0
ME290741
-
-
5610
-
N-oleoyltaurine
N-Oleoyl taurine
ME290927
-
-
5610
-
palmitate (16:0)
Palmitic acid
ME290948
-
-
5618
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME290855
-
-
5624.5
-
oleate/vaccenate (18:1)
Oleic acid
ME290945
-
-
5655
-
nisinate (24:6n3)
THA
ME290939
-
-
5657
-
adrenate (22:4n6)
Adrenic acid
ME290827
-
-
5678
-
15-methylpalmitate (i17:0)
15-Methylpalmitic acid
ME290754
-
-
5695
-
2-hydroxystearate
2-Hydroxystearic acid
ME290773
-
-
5695
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME290849
-
-
5730
-
margarate (17:0)
Margaric acid
ME290906
-
-
5731
-
N-stearoylserine
N-Stearoyl serine
ME290930
-
-
5777
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME290750
-
-
5780
-
N-stearoyltaurine
N-Stearoyl taurine
ME290931
-
-
5782
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME290747
-
-
5794
-
aconitate [cis or trans]
cis-Aconitic acid
ME290826
-
-
580
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME290746
-
-
5816
-
citrate
Citric acid
ME290845
-
-
582
-
stearate (18:0)
Stearic acid
ME290968
-
-
5872
-
phytanate
Phytanic acid
ME290958
-
-
5908
-
eicosenoate (20:1)
cis-Gondoic acid
ME290862
-
-
5950
-
2-hydroxyarachidate
2-Hydroxyeicosanoic acid
ME290763
-
-
5990
-
17-methylstearate (i19:0)
Xi-17-Methyloctadecanoic acid
ME290757
-
-
5993
-
2-palmitoleoylglycerol (16:1)
MG 16:1
ME290777
-
-
6016
-
oxalate (ethanedioate)
Oxalic acid
ME290946
-
-
603
-
succinate
Succinic acid
ME290971
-
-
603
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME290851
-
-
6034
-
nonadecanoate (19:0)
Nonadecylic acid
ME290940
-
-
6068
-
1-palmitoleoylglycerol (16:1)
MG 16:1
ME290743
-
-
6094
-
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME290974
-
-
610
-
tartarate
Tartaric acid
ME290973
-
-
615.3
-
malate
Malic acid
ME290905
-
-
615.6
-
sulfate
-
ME290972
-
-
616
-
1-linolenoylglycerol (18:3)
MG 18:3
ME290737
-
-
6214
-
2-palmitoyl-GPC (16:0)
LPC 0:0/16:0
ME290778
-
-
6215
-
2-myristoylglycerol (14:0)
MG 0:0/14:0/0:0
ME290775
-
-
6230
-
arachidate (20:0)
Arachidic acid
ME290833
-
-
6240
-
2-linoleoylglycerol (18:2)
MG 18:2
ME290774
-
-
6250
-
2-hydroxynervonate
Hydroxynervonic acid
ME290769
-
-
6345
-
2-stearoyl-GPE (18:0)
LPE 0:0/18:0
ME290780
-
-
6350
-
1-myristoylglycerol (14:0)
MG 16:3
ME290740
-
-
6353.3
-
erucate (22:1n9)
cis-Erucic acid
ME290863
-
-
6355.6
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME290764
-
-
6384
-
1-dihomo-linolenylglycerol (20:3)
MG 20:3/0:0/0:0
ME290736
-
-
6400
-
2-palmitoylglycerol (16:0)
MG 0:0/16:0/0:0
ME290779
-
-
6400
-
EDTA
Edetic acid
ME290859
-
-
643
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME290776
-
-
6500
-
pyruvate
Pyruvic acid
ME290964
-
-
732.4
-
5-oxoproline
Pyroglutamic acid
ME290814
-
-
738.5
-
histidine
Histidine
ME290889
-
-
755.9
-
urate
Uric acid
ME290985
-
-
757.1
-
glycerol
Glycerol
ME290871
-
-
758
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME290911
-
-
773
-
N-acetyltaurine
N-Acetyltaurine
ME290917
-
-
800
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME290748
-
-
802
-
suberate (C8-DC)
Suberic acid
ME290970
-
-
804.3
-
N-acetylthreonine
N-Acetylthreonine
ME290918
-
-
821.6
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME290922
-
-
858
-
S-methylcysteine
Methylcysteine
ME290966
-
-
880
-
vanillylmandelate (VMA)
Vanillylmandelic acid
ME290990
-
-
941
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME290820
-
-
965
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME290941
-
-
990
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME290996
-
-
1050
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME291005
-
-
1052
-
uracil
Uracil
ME291052
-
-
1089.7
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME290994
-
-
1258
-
1-oleoyl-GPA (18:1)
LPA 18:1/0:0
ME290993
-
-
1433
-
1-linoleoyl-GPA (18:2)
LPA 18:2/0:0
ME290992
-
-
1441
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME290997
-
-
1443.3
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME290999
-
-
1444
-
lactate
Lactic acid
ME291032
-
-
1468.8
-
erythritol
Erythritol
ME291013
-
-
1491
-
N-acetylalanine
N-Acetylalanine
ME291038
-
-
1564.8
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME291000
-
-
1619
-
orotate
Orotic acid
ME291042
-
-
1638.1
-
allantoin
Allantoin
ME291004
-
-
1672
-
xylose
Xylose
ME291054
-
-
1727
-
ribitol
Ribitol
ME291045
-
-
1789.6
-
glycolate (hydroxyacetate)
Glycolic acid
ME291027
-
-
1790.4
-
arabinose
Arabinose
ME291009
-
-
1804.5
-
trans-urocanate
Urocanic acid
ME291051
-
-
1882.5
-
dihydroorotate
4,5-Dihydroorotic acid
ME291012
-
-
1910
-
alpha-ketoglutaramate
2-Keto-glutaramic acid
ME291007
-
-
1916
-
arabitol/xylitol
Arabitol
ME291010
-
-
1932.4
-
N-acetylserine
N-Acetylserine
ME291041
-
-
2000
-
xanthine
Xanthine
ME291053
-
-
2023
-
fructose
Fructose
ME291016
-
-
2065
-
glycerate
Glyceric acid
ME291024
-
-
2070.4
-
N-acetylglutamine
N-Acetylglutamine
ME291039
-
-
2140
-
succinimide
Succinimide
ME291049
-
-
2155
-
erythronate
Erythronic acid
ME291014
-
-
2186
-
mannose
Mannose
ME291035
-
-
2200
-
orotidine
Orotidine
ME291043
-
-
2250
-
mannitol/sorbitol
Sorbitol
ME291034
-
-
2320
-
glucose
Glucose
ME291021
-
-
2342
-
ribulonate/xylulonate
-
ME291047
-
-
2350
-
threonate
Threonic acid
ME291050
-
-
2384
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME291001
-
-
2411
-
ribonate
Ribonic acid
ME291046
-
-
2425
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME291025
-
-
2430
-
quinate
Quinic acid
ME291044
-
-
2432.9
-
2-isopropylmalate
2-Isopropylmalic acid
ME290995
-
-
2605
-
maleate
Maleic acid
ME291033
-
-
2640
-
3-methylglutaconate
3E-Methylglutaconic acid
ME291002
-
-
2700
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME291008
-
-
2700
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME291011
-
-
2700
-
gulonate
Gulonic acid
ME291029
-
-
2750
-
ethylmalonate
Ethylmalonic acid
ME291015
-
-
2785
-
methylsuccinate
Methylsuccinic acid
ME291036
-
-
2800
-
heptenedioate (C7:1-DC)
-
ME291030
-
-
2816
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME290998
-
-
2850
-
guanidinoacetate
Guanidoacetic acid
ME291028
-
-
2884
-
glutarate (C5-DC)
Glutaric acid
ME291023
-
-
2900
-
gluconate
Gluconic acid
ME291020
-
-
2922
-
isocitric lactone
Isocitric acid lactone
ME291031
-
-
2970
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME291026
-
-
3003.1
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME291040
-
-
3072.6
-
4-hydroxy-2-oxoglutaric acid
4-Hydroxy-2-oxoglutaric acid
ME291003
-
-
3073
-
fumarate
Fumaric acid
ME291017
-
-
3084
-
galactonate
Galactonic acid
ME291018
-
-
3085
-
glucuronate
Glucuronic acid
ME291022
-
-
3233.3
-
myo-inositol
Myo-inositol
ME291037
-
-
3506.3
-
salicylate
Salicylic acid
ME291048
-
-
802
-
gentisate
Gentisic acid
ME291019
-
-
905
-
alpha-ketobutyrate
3-Methyl pyruvic acid
ME291006
-
-
940
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel