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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
1-(1-enyl-oleoyl)-GPE (P-18:1)
LPE P-18:1 or LPE O-18:2
ME290399
-
-
1566
-
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-(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-(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-linoleoyl-GPE (P-16:0/18:2)
PE P-16:0/18:2 or PE O-16:1/18:2
ME290403
-
-
2351
-
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
-
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
-
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-palmitoyl-GPC (P-16:0/16:0)
PC P-16:0/16:0 or PC O-16:1/16:0
ME290407
-
-
2454
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)
LPC P-16:0 or LPC O-16:1
ME290408
-
-
1547
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)
LPE P-16:0 or LPE O-16:1
ME290409
-
-
1558
-
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
-
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
-
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
-
1-(1-enyl-stearoyl)-GPE (P-18:0)
LPE P-18:0 or LPE O-18:1
ME290413
-
-
1649
-
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME290464
-
-
2006
-
1,2-dilinoleoyl-GPE (18:2/18:2)
PE 18:2/18:2
ME290465
-
-
2083
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME290466
-
-
2365
-
1-arachidonoyl-GPC (20:4n6)
LPC 20:4/0:0
ME290414
-
-
1460
-
1-arachidonoyl-GPE (20:4n6)
LPE 20:4/0:0
ME290415
-
-
1470
-
1-arachidonylglycerol (20:4)
MG 20:4
ME290416
-
-
1568
-
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME290417
-
-
1542
-
1-lignoceroyl-GPC (24:0)
LPC 24:0/0:0
ME290418
-
-
1907
-
1-linolenoyl-GPC (18:3)
LPC 18:3
ME290419
-
-
1410
-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)
PC 18:2/20:4
ME290420
-
-
1969
-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)
PC 18:2/18:3
ME290421
-
-
1939
-
1-linoleoylglycerol (18:2)
MG 18:2
ME290424
-
-
1595
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME290422
-
-
1465
-
1-linoleoyl-GPE (18:2)
LPE 18:2/0:0
ME290423
-
-
1482
-
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)
PC 14:0/20:4
ME290425
-
-
1914
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME290426
-
-
2147
-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)
PC 18:1/22:6
ME290427
-
-
2011
-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)
PE 18:1/18:2
ME290428
-
-
2270
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME290431
-
-
1695
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME290429
-
-
1540
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME290430
-
-
1554
-
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)
PC 16:1_18:3
ME290432
-
-
1850
-
1-palmitoleoyl-GPC (16:1)
LPC 16:1/0:0
ME290433
-
-
1450
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME290434
-
-
2091
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)
PE 16:0/20:4
ME290435
-
-
2198
-
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)
PI 16:0/20:4
ME290436
-
-
2567
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME290437
-
-
2023
-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)
PE 16:0/22:6
ME290438
-
-
2119
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME290439
-
-
2160
-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)
PE 16:0/18:2
ME290440
-
-
2275
-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)
PI 16:0/18:2
ME290441
-
-
2730
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME290442
-
-
2358
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME290443
-
-
2509
-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)
PI 16:0/18:1
ME290444
-
-
3140
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)
PC 16:0/16:1
ME290445
-
-
2160
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME290446
-
-
2653
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME290449
-
-
1689
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME290447
-
-
1525
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME290448
-
-
1544
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME290450
-
-
2300
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME290451
-
-
2424
-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
PI 18:0/20:4
ME290452
-
-
3000
-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
PC 18:0/22:6
ME290453
-
-
2197
-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)
PE 18:0/22:6
ME290454
-
-
2317
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)
PC 18:0/18:2
ME290455
-
-
2380
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)
PE 18:0/18:2
ME290456
-
-
2522
-
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)
PI 18:0/18:2
ME290457
-
-
3185
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME290458
-
-
2644
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME290459
-
-
2858
-
1-stearoyl-2-oleoyl-GPI (18:0/18:1)
PI 18:0/18:1
ME290460
-
-
3711
-
1-stearoyl-2-oleoyl-GPS (18:0/18:1)
PS 18:0/18:1
ME290461
-
-
3000
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME290462
-
-
1606
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME290463
-
-
1626
-
4-cholesten-3-one
Cholestenone
ME290467
-
-
2520
-
alpha-tocopherol
alpha-Tocopherol
ME290468
-
-
2522
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME290469
-
-
1353
-
arachidonoylcholine
Arachidonoylcholine
ME290470
-
-
1390
-
arachidoylcarnitine (C20)
CAR 20:0
ME290471
-
-
1512
-
behenoyl dihydrosphingomyelin (d18:0/22:0)
SM 18:0;O2/22:0
ME290472
-
-
3150
-
behenoyl sphingomyelin (d18:1/22:0)
SM 18:1;O2/22:0
ME290473
-
-
3083
-
beta-cryptoxanthin
Cryptoxanthin
ME290474
-
-
2560
-
bilirubin (E,E)
Bilirubin
ME290475
-
-
1045
-
bilirubin (Z,Z)
Bilirubin
ME290476
-
-
1840
-
biliverdin
Biliverdin
ME290477
-
-
1016
-
carotene diol (1)
Carotene diol
ME290478
-
-
1720
-
carotene diol (2)
Carotene diol
ME290479
-
-
1904
-
carotene diol (3)
Carotene diol
ME290480
-
-
1948
-
ceramide (d16:1/24:1, d18:1/22:1)
Cer 40:2;O2
ME290481
-
-
3850
-
ceramide (d18:1/14:0, d16:1/16:0)
Cer 36:1;O2
ME290482
-
-
2477
-
ceramide (d18:1/17:0, d17:1/18:0)
Cer 35:1;O2
ME290483
-
-
3055
-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)
Cer 38:1;O2
ME290484
-
-
3920
-
ceramide (d18:2/24:1, d18:1/24:2)
Cer 42:3;O2
ME290485
-
-
3858
-
cerotoylcarnitine (C26)
CAR 26:0
ME290486
-
-
1649
-
cholesterol
Cholesterol
ME290487
-
-
2707
-
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME290488
-
-
1057
-
decanoylcarnitine (C10)
CAR 10:0
ME290489
-
-
1130
-
diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [...
DG 30:1
ME290490
-
-
2716
-
diacylglycerol (14:0/18:1, 16:0/16:1) [1]
DG 32:1
ME290491
-
-
3057
-
diacylglycerol (14:0/18:1, 16:0/16:1) [2]
DG 32:1
ME290492
-
-
3183
-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])
DG 34:3
ME290493
-
-
2733
-
dihomo-linolenoylcarnitine (C20:3n3 or 6)
CAR 20:3
ME290494
-
-
1392
-
dihomo-linoleoylcarnitine (C20:2)
CAR 20:2
ME290495
-
-
1436
-
docosahexaenoylcarnitine (C22:6)
CAR 22:6
ME290496
-
-
1349
-
docosahexaenoylcholine
-
ME290497
-
-
1378
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME290498
-
-
2384
-
glycosyl ceramide (d16:1/24:1, d18:1/22:1)
HexCer 40:2;O2
ME290499
-
-
3373
-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)
HexCer 38:1;O2
ME290500
-
-
3414
-
glycosyl ceramide (d18:1/23:1, d17:1/24:1)
HexCer 41:2;O2
ME290501
-
-
3667
-
glycosyl ceramide (d18:2/24:1, d18:1/24:2)
HexCer 42:3;O2
ME290502
-
-
3380
-
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1...
HexCer 18:1;O2/24:1;O
ME290503
-
-
3839
-
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)
HexCer 18:2;O2/22:0
ME290504
-
-
3420
-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
HexCer 18:1;O2/16:0
ME290505
-
-
2623
-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)
HexCer 18:1;O2/18:0
ME290506
-
-
3053
-
heme
Heme
ME290507
-
-
1124
-
hexanoylcarnitine (C6)
CAR 6:0
ME290508
-
-
800
-
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)
LacCer 18:1;O2/22:0
ME290509
-
-
3842
-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)
LacCer 18:1;O2/24:1
ME290510
-
-
3778
-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)
LacCer 18:1;O2/16:0
ME290511
-
-
2527
-
laurylcarnitine (C12)
CAR 12:0
ME290512
-
-
1235
-
lignoceroylcarnitine (C24)
CAR 24:0
ME290514
-
-
1603
-
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME290513
-
-
3437
-
linolenoylcarnitine (C18:3)
CAR 18:3
ME290515
-
-
1310
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]
DG 18:2_20:4
ME290516
-
-
2590
-
linoleoylcarnitine (C18:2)
CAR 18:2
ME290520
-
-
1430
-
linoleoylcholine
alpha-Linoleoylcholine
ME290521
-
-
1388
-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]
DG 18:2_22:6
ME290517
-
-
2450
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]
DG 18:2_18:3
ME290518
-
-
2426
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]
DG 18:2_18:2
ME290519
-
-
2720
-
margaroylcarnitine (C17)
CAR 17:0
ME290522
-
-
1424
-
myristoleoylcarnitine (C14:1)
CAR 14:1
ME290523
-
-
1316
-
myristoylcarnitine (C14)
CAR 14:0
ME290527
-
-
1350
-
myristoyl dihydrosphingomyelin (d18:0/14:0)
SM 18:0;O2/14:0
ME290524
-
-
2060
-
myristoyl-linoleoyl-glycerol (14:0/18:2) [1]
DG 14:0_18:2
ME290525
-
-
2679
-
myristoyl-linoleoyl-glycerol (14:0/18:2) [2]
DG 14:0_18:2
ME290526
-
-
2720
-
N-behenoyl-sphingadienine (d18:2/22:0)
Cer 18:2;O2/22:0
ME290528
-
-
3911
-
N-palmitoyl-sphingadienine (d18:2/16:0)
Cer 18:2;O2/16:0
ME290529
-
-
2490
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME290530
-
-
3090
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME290531
-
-
2893
-
N-stearoyl-sphingadienine (d18:2/18:0)
Cer 18:2;O2/18:0
ME290532
-
-
2846
-
N-stearoyl-sphinganine (d18:0/18:0)
Cer 18:0;O2/18:0
ME290533
-
-
3526
-
N-stearoyl-sphingosine (d18:1/18:0)
Cer 18:1;O2/18:0
ME290534
-
-
3392
-
octadecanedioylcarnitine (C18-DC)
CAR DC18:0
ME290535
-
-
1227
-
octadecenedioylcarnitine (C18:1-DC)
CAR DC18:1
ME290536
-
-
1180
-
octanoylcarnitine (C8)
CAR 8:0
ME290537
-
-
950
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]
DG 18:1_20:4
ME290538
-
-
2907
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]
DG 18:1_20:4
ME290539
-
-
2990
-
oleoylcarnitine (C18:1)
CAR 18:1
ME290544
-
-
1423
-
oleoylcholine
Oleoylcholine
ME290545
-
-
1449
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
DG 18:1_18:2
ME290540
-
-
3115
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME290541
-
-
3223
-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]
DG 18:1_18:1
ME290542
-
-
3571
-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]
DG 18:1_18:1
ME290543
-
-
3695
-
palmitoleoylcarnitine (C16:1)
CAR 16:1
ME290547
-
-
1357
-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]
DG 16:1_18:2
ME290546
-
-
2664
-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]
DG 16:0_20:4
ME290550
-
-
2916
-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]
DG 16:0_20:4
ME290551
-
-
3015
-
palmitoylcarnitine (C16)
CAR 16:0
ME290561
-
-
1425
-
palmitoylcholine
Palmitoylcholine
ME290562
-
-
1482
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)
SM 18:0;O2/16:0
ME290548
-
-
2290
-
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]
DG 16:0_22:6
ME290552
-
-
2749
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]
DG 16:0_18:2
ME290553
-
-
3080
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]
DG 16:0_18:2
ME290554
-
-
3197
-
palmitoyl-myristoyl-glycerol (16:0/14:0) [1]
DG 14:0_16:0
ME290555
-
-
3054
-
palmitoyl-myristoyl-glycerol (16:0/14:0) [2]
DG 14:0_16:0
ME290556
-
-
3180
-
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]
DG 16:0_18:1
ME290557
-
-
3562
-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]
DG 16:0_18:1
ME290558
-
-
3695
-
palmitoyl-palmitoyl-glycerol (16:0/16:0) [1]
DG 16:0_16:0
ME290559
-
-
3568
-
palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]
DG 16:0_16:0
ME290560
-
-
3734
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME290549
-
-
2168
-
retinol (Vitamin A)
Retinol
ME290563
-
-
1636
-
sphinganine
Sphinganine
ME290564
-
-
1413
-
sphinganine-1-phosphate
Sphinganine 1-phosphate
ME290565
-
-
1431
-
sphingomyelin (d17:1/14:0, d16:1/15:0)
SM 31:1;O2
ME290566
-
-
1950
-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)
SM 33:1;O2
ME290567
-
-
2082
-
sphingomyelin (d17:2/16:0, d18:2/15:0)
SM 33:2;O2
ME290568
-
-
1837
-
sphingomyelin (d18:0/18:0, d19:0/17:0)
SM 36:0;O2
ME290569
-
-
2362
-
sphingomyelin (d18:0/20:0, d16:0/22:0)
SM 38:0;O2
ME290570
-
-
2600
-
sphingomyelin (d18:1/14:0, d16:1/16:0)
SM 32:1;O2
ME290571
-
-
1998
-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME290572
-
-
2312
-
sphingomyelin (d18:1/18:1, d18:2/18:0)
SM 36:2;O2
ME290573
-
-
2167
-
sphingomyelin (d18:1/19:0, d19:1/18:0)
SM 37:1;O2
ME290574
-
-
2330
-
sphingomyelin (d18:1/20:0, d16:1/22:0)
SM 38:1;O2
ME290575
-
-
2685
-
sphingomyelin (d18:1/20:1, d18:2/20:0)
SM 38:2;O2
ME290576
-
-
2383
-
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)
SM 18:1;O2/20:2
ME290577
-
-
2039
-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)
SM 39:1;O2
ME290578
-
-
2793
-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)
SM 40:2;O2
ME290579
-
-
2666
-
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)
SM 40:3;O2
ME290580
-
-
2209
-
sphingomyelin (d18:1/24:1, d18:2/24:0)
SM 42:2;O2
ME290581
-
-
3033
-
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...
SM 43:1;O2
ME290582
-
-
3500
-
sphingomyelin (d18:2/14:0, d18:1/14:1)
SM 32:2;O2
ME290583
-
-
1860
-
sphingomyelin (d18:2/16:0, d18:1/16:1)
SM 34:2;O2
ME290584
-
-
2002
-
sphingomyelin (d18:2/18:1)
SM 18:2;O2/18:1
ME290585
-
-
1904
-
sphingomyelin (d18:2/21:0, d16:2/23:0)
SM 39:2;O2
ME290586
-
-
2330
-
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)
SM 41:2;O2
ME290587
-
-
2845
-
sphingomyelin (d18:2/23:1)
SM 18:2;O2/23:1
ME290588
-
-
2315
-
sphingomyelin (d18:2/24:1, d18:1/24:2)
SM 42:3;O2
ME290589
-
-
2635
-
sphingomyelin (d18:2/24:2)
SM 18:2;O2/24:2
ME290590
-
-
2215
-
sphingosine
Sphingosine
ME290591
-
-
1393
-
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME290592
-
-
1375
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]
DG 18:0_20:4
ME290594
-
-
3404
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]
DG 18:0_20:4
ME290595
-
-
3522
-
stearoylcarnitine (C18)
CAR 18:0
ME290596
-
-
1485
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME290593
-
-
2400
-
tricosanoyl sphingomyelin (d18:1/23:0)
SM 18:1;O2/23:0
ME290597
-
-
3200
-
ximenoylcarnitine (C26:1)
CAR 26:1
ME290598
-
-
1607
-
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
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME290600
-
-
2064
-
1-methylhistidine
1-Methylhistidine
ME290601
-
-
2755
-
1-methylnicotinamide
1-Methyl nicotinamide
ME290602
-
-
1940
-
1-ribosyl-imidazoleacetate
Imidazoleacetic acid riboside
ME290603
-
-
2006
-
2-aminobutyrate
2-Aminobutyric acid
ME290604
-
-
2059
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME290605
-
-
958
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME290606
-
-
3050
-
2-methylserine
2-Methylserine
ME290607
-
-
1652
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME290610
-
-
2411
-
2-oxoarginine
2-Oxoarginine
ME290608
-
-
1760
-
2-piperidinone
2-Piperidinone
ME290609
-
-
1675
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME290611
-
-
2190
-
3-hydroxybutyrylcarnitine (1)
CAR 4:0;3OH
ME290612
-
-
2400
-
3-hydroxybutyrylcarnitine (2)
CAR 4:0;3OH
ME290613
-
-
2340
-
3-methoxytyrosine
3-Methoxytyrosine
ME290614
-
-
2555
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME290615
-
-
590
-
3-ureidopropionate
Ureidopropionic acid
ME290616
-
-
875
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME290617
-
-
1350
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME290618
-
-
2320
-
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME290619
-
-
1141
-
4-imidazoleacetate
Imidazoleacetic acid
ME290620
-
-
2055
-
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME290621
-
-
2755
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME290622
-
-
1893
-
5-hydroxylysine
5-Hydroxylysine
ME290623
-
-
2790
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME290624
-
-
2752
-
5-methylthioribose
5-Methylthioribose
ME290625
-
-
790
-
acetylcarnitine (C2)
CAR 2:0
ME290626
-
-
2282
-
adenine
Adenine
ME290627
-
-
2221
-
adenosine 5'-monophosphate (AMP)
AMP
ME290628
-
-
1013
-
adipoylcarnitine (C6-DC)
CAR DC6:0
ME290629
-
-
2570
-
alanine
Alanine
ME290630
-
-
1700
-
argininate
Argininic acid
ME290631
-
-
2150
-
arginine
Arginine
ME290632
-
-
2825
-
asparagine
Asparagine
ME290633
-
-
1225
-
aspartate
Aspartic acid
ME290634
-
-
1165
-
beta-alanine
beta-Alanine
ME290635
-
-
1905
-
betaine
Betaine
ME290636
-
-
1064
-
butyrylcarnitine (C4)
CAR 4:0
ME290637
-
-
2860
-
carnitine
Carnitine
ME290638
-
-
1978
-
carnosine
Carnosine
ME290639
-
-
2942
-
choline
Choline
ME290640
-
-
1961
-
choline phosphate
Choline phosphate
ME290641
-
-
700
-
citrulline
Citrulline
ME290642
-
-
1520
-
creatine
Creatine
ME290643
-
-
1947
-
creatinine
Creatinine
ME290644
-
-
2055
-
cys-gly, oxidized
CYS-GLY, oxidized
ME290645
-
-
2947
-
cystathionine
Cystathionine
ME290646
-
-
2270
-
cysteine
Cysteine
ME290647
-
-
1488
-
cysteinylglycine disulfide
Cysteinylglycine disulfide
ME290648
-
-
2547
-
cystine
Cystine
ME290649
-
-
2000
-
deoxycarnitine
3-Dehydroxycarnitine
ME290650
-
-
2052
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME290651
-
-
2850
-
dimethylglycine
Dimethylglycine
ME290652
-
-
1104
-
ergothioneine
Ergothioneine
ME290653
-
-
850
-
formiminoglutamate
Formiminoglutamic acid
ME290654
-
-
1880
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME290656
-
-
1986
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME290655
-
-
2784
-
gamma-glutamylcitrulline
-
ME290657
-
-
1644
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME290658
-
-
1775
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME290659
-
-
1430
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME290660
-
-
1535
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME290661
-
-
2740
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME290662
-
-
2992
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME290663
-
-
1750
-
glutamate
Glutamic acid
ME290664
-
-
1500
-
glutamine
Glutamine
ME290665
-
-
1291
-
glutarylcarnitine (C5-DC)
CAR DC5:0
ME290666
-
-
2393
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME290667
-
-
580
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME290668
-
-
659
-
glycine
Glycine
ME290669
-
-
1375
-
homoarginine
Homoarginine
ME290670
-
-
2882
-
hydroxyasparagine
Hydroxyasparagine
ME290671
-
-
1149
-
hypotaurine
Hypotaurine
ME290672
-
-
724
-
imidazole lactate
Imidazolelactic acid
ME290673
-
-
2040
-
imidazole propionate
Imidazole propanoate
ME290674
-
-
2263
-
iminodiacetate (IDA)
Iminodiacetate
ME290675
-
-
808
-
indoleacetylcarnitine
-
ME290676
-
-
3114
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME290677
-
-
2810
-
isoleucine
Isoleucine
ME290678
-
-
2800
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME290679
-
-
3085
-
kynurenine
Kynurenine
ME290680
-
-
2739
-
lanthionine
Lanthionine
ME290681
-
-
1730
-
leucine
Leucine
ME290682
-
-
2864
-
lidocaine
Lidocaine
ME290683
-
-
3250
-
lysine
Lysine
ME290684
-
-
2850
-
methionine
Methionine
ME290685
-
-
2526
-
methionine sulfone
Methionine sulfone
ME290686
-
-
1250
-
methionine sulfoxide
Methionine sulfoxide
ME290687
-
-
1272
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME290688
-
-
832
-
N1-methyladenosine
1-Methyladenosine
ME290700
-
-
2120
-
N1,N12-diacetylspermine
N1,N12-Diacetylspermine
ME290701
-
-
3105
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME290599
-
-
3080
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME290702
-
-
2210
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME290703
-
-
2825
-
N-acetylarginine
N-Acetylarginine
ME290691
-
-
2245
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME290689
-
-
1035
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME290692
-
-
715
-
N-acetylglutamate
N-Acetylglutamic acid
ME290693
-
-
1050
-
N-acetylglycine
N-Acetylglycine
ME290694
-
-
826
-
N-acetylhistidine
N-Acetylhistidine
ME290695
-
-
2065
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME290690
-
-
2305
-
N-acetylputrescine
N-Acetylputrescine
ME290696
-
-
2230
-
nicotinamide
Niacinamide
ME290704
-
-
1942
-
N-methylpipecolate
N-methyl pipecolic acid
ME290697
-
-
1932
-
N-methylproline
N-Methyl-proline
ME290698
-
-
1335
-
N-trimethyl 5-aminovalerate
-
ME290699
-
-
2186
-
ornithine
Ornithine
ME290705
-
-
2800
-
phenylalanine
Phenylalanine
ME290706
-
-
2878
-
phosphate
Phosphoric acid
ME290707
-
-
576
-
phosphoethanolamine
Phosphoethanolamine
ME290708
-
-
700
-
picolinate
Picolinic acid
ME290709
-
-
910
-
pipecolate
Pipecolic acid
ME290710
-
-
2200
-
pro-hydroxy-pro
Pro-hydroxyPro
ME290711
-
-
2128
-
proline
Proline
ME290712
-
-
1603
-
propionylcarnitine (C3)
CAR 3:0
ME290713
-
-
2590
-
pyroglutamine
Pyroglutamine
ME290714
-
-
1900
-
quinolinate
Quinolinic acid
ME290715
-
-
845
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME290716
-
-
1528
-
sarcosine
Sarcosine
ME290718
-
-
1280
-
serine
Serine
ME290719
-
-
1239
-
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME290717
-
-
900
-
stachydrine
Stachydrine
ME290720
-
-
1440
-
suberoylcarnitine (C8-DC)
CAR DC8:0
ME290721
-
-
2964
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME290722
-
-
2291
-
taurine
Taurine
ME290723
-
-
660
-
theobromine
Theobromine
ME290724
-
-
1600
-
thioproline
Thioproline
ME290725
-
-
1250
-
threonine
Threonine
ME290726
-
-
1514
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME290727
-
-
1064
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME290728
-
-
1388
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME290729
-
-
2100
-
tryptophan
Tryptophan
ME290730
-
-
2986
-
tryptophan betaine
Lenticin
ME290731
-
-
2673
-
tyrosine
Tyrosine
ME290732
-
-
2430
-
urea
Urea
ME290733
-
-
700
-
valine
Valine
ME290734
-
-
2479
-
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
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME290749
-
-
5555
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME290750
-
-
5780
-
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME290751
-
-
5085.8
-
12,13-DiHOME
12,13-DiHOME
ME290752
-
-
5137
-
13-HODE + 9-HODE
HODE
ME290753
-
-
5275
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME290748
-
-
802
-
15-methylpalmitate (i17:0)
15-Methylpalmitic acid
ME290754
-
-
5695
-
16a-hydroxy DHEA 3-sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME290756
-
-
4240
-
16-hydroxypalmitate
Juniperic acid
ME290755
-
-
5236.2
-
17alpha-hydroxypregnenolone 3-sulfate
-
ME290758
-
-
4800
-
17-methylstearate (i19:0)
Xi-17-Methyloctadecanoic acid
ME290757
-
-
5993
-
1-arachidonoyl-GPI (20:4)
LPI 20:4/0:0
ME290735
-
-
5482
-
1-dihomo-linolenylglycerol (20:3)
MG 20:3/0:0/0:0
ME290736
-
-
6400
-
1-linolenoylglycerol (18:3)
MG 18:3
ME290737
-
-
6214
-
1-linoleoyl-GPG (18:2)
LPG 18:2/0:0
ME290738
-
-
5516
-
1-linoleoyl-GPI (18:2)
LPI 18:2/0:0
ME290739
-
-
5494
-
1-myristoylglycerol (14:0)
MG 16:3
ME290740
-
-
6353.3
-
1-oleoyl-GPG (18:1)
LPG 18:1/0:0
ME290741
-
-
5610
-
1-oleoyl-GPI (18:1)
LPI 18:1/0:0
ME290742
-
-
5599
-
1-palmitoleoylglycerol (16:1)
MG 16:1
ME290743
-
-
6094
-
1-palmitoyl-GPG (16:0)
LPG 16:0/0:0
ME290744
-
-
5570
-
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME290745
-
-
5564
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME290746
-
-
5816
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME290747
-
-
5794
-
21-hydroxypregnenolone disulfate
21-Hydroxypregnenolone
ME290782
-
-
3935
-
21-hydroxypregnenolone monosulfate (2)
-
ME290783
-
-
4711
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME290759
-
-
2384
-
2-aminooctanoate
2-Aminocaprylic acid
ME290760
-
-
3385
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME290761
-
-
1677
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME290762
-
-
1800
-
2-hydroxyarachidate
2-Hydroxyeicosanoic acid
ME290763
-
-
5990
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME290764
-
-
6384
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME290765
-
-
4840
-
2-hydroxyhippurate (salicylurate)
Salicyluric acid
ME290766
-
-
2184
-
2-hydroxylaurate
2-Hydroxylauric acid
ME290767
-
-
5211
-
2-hydroxymyristate
2-Hydroxymyristic acid
ME290768
-
-
5364
-
2-hydroxynervonate
Hydroxynervonic acid
ME290769
-
-
6345
-
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME290770
-
-
3736.8
-
2-hydroxyoleate
2-Hydroxyoleic acid
ME290771
-
-
5560
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME290772
-
-
5511.2
-
2-hydroxystearate
2-Hydroxystearic acid
ME290773
-
-
5695
-
2-linoleoylglycerol (18:2)
MG 18:2
ME290774
-
-
6250
-
2-myristoylglycerol (14:0)
MG 0:0/14:0/0:0
ME290775
-
-
6230
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME290776
-
-
6500
-
2'-O-methyluridine
2'-O-Methyluridine
ME290781
-
-
1831
-
2-palmitoleoylglycerol (16:1)
MG 16:1
ME290777
-
-
6016
-
2-palmitoylglycerol (16:0)
MG 0:0/16:0/0:0
ME290779
-
-
6400
-
2-palmitoyl-GPC (16:0)
LPC 0:0/16:0
ME290778
-
-
6215
-
2-stearoyl-GPE (18:0)
LPE 0:0/18:0
ME290780
-
-
6350
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME290784
-
-
1379
-
3,4-methyleneheptanoate
-
ME290797
-
-
3807
-
3,4-methyleneheptanoylcarnitine
-
ME290798
-
-
4096
-
3beta,7alpha-dihydroxy-5-cholestenoate
3beta,7alpha-Dihydroxy-5-cholestenoic acid
ME290800
-
-
5275
-
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME290799
-
-
5398
-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
ME290785
-
-
4000
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME290786
-
-
2800
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME290787
-
-
4634.7
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME290788
-
-
1725
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME290789
-
-
5175
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME290790
-
-
3446
-
3-hydroxyoleate
-
ME290791
-
-
5508
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME290792
-
-
1595.5
-
3-indoxyl sulfate
Indoxyl sulfate
ME290793
-
-
2222.2
-
3-methoxytyramine sulfate
3-Methoxytyramine sulfate
ME290794
-
-
1722
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME290795
-
-
1465
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME290796
-
-
2064.2
-
4-allylphenol sulfate
4-Allylphenol sulfate
ME290801
-
-
3805
-
4-ethylphenylsulfate
4-Ethylphenol
ME290802
-
-
3580
-
4-hydroxychlorothalonil
4-Hydroxychlorothalonil
ME290803
-
-
4427
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME290804
-
-
1475
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME290805
-
-
1690
-
4-methoxyphenol sulfate
4-Methoxyphenol sulfate
ME290806
-
-
2412
-
4-methyl-2-oxopentanoate
Ketoleucine
ME290807
-
-
2170
-
4-methylcatechol sulfate
-
ME290808
-
-
2665
-
4-vinylphenol sulfate
4-Hydroxystyrene
ME290809
-
-
3320
-
5,6-dihydrothymine
Dihydrothymine
ME290815
-
-
1637.8
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME290816
-
-
1119
-
5alpha-pregnan-3beta,20alpha-diol disulfate
5alpha-Pregnan-3beta,20alpha-diol disulfate
ME290817
-
-
3962
-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)
-
ME290818
-
-
5060
-
5-bromotryptophan
5-Bromo-tryptophan
ME290810
-
-
3525
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME290811
-
-
5224
-
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME290812
-
-
1267
-
5-methyluridine (ribothymidine)
Ribothymidine
ME290813
-
-
1778.1
-
5-oxoproline
Pyroglutamic acid
ME290814
-
-
738.5
-
6-hydroxyindole sulfate
6-Hydroxyindole sulfate
ME290819
-
-
2498
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME290820
-
-
965
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME290821
-
-
5288.1
-
7-methylguanine
7-Methylguanine
ME290822
-
-
1729.7
-
9,10-DiHOME
9,10-DiHOME
ME290824
-
-
5180
-
9-hydroxystearate
9-Hydroxy stearic acid
ME290823
-
-
5384
-
acisoga
Acisoga
ME290825
-
-
2297
-
aconitate [cis or trans]
cis-Aconitic acid
ME290826
-
-
580
-
adrenate (22:4n6)
Adrenic acid
ME290827
-
-
5678
-
alpha-CEHC sulfate
alpha-CEHC sulfate
ME290828
-
-
3090
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME290829
-
-
1840
-
androstenediol (3beta,17beta) disulfate (1)
4-Androsten-3beta,17beta-diol disulfate
ME290831
-
-
3740
-
androstenediol (3beta,17beta) disulfate (2)
4-Androsten-3beta,17beta-diol disulfate
ME290832
-
-
4065
-
andro steroid monosulfate C19H28O6S (1)
-
ME290830
-
-
3871
-
arachidate (20:0)
Arachidic acid
ME290833
-
-
6240
-
arachidonate (20:4n6)
Arachidonic acid
ME290834
-
-
5535
-
azelate (C9-DC)
Azelaic acid
ME290835
-
-
1276
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME290836
-
-
530
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME290837
-
-
1027
-
caprate (10:0)
Capric acid
ME290839
-
-
5090.7
-
caproate (6:0)
Caproic acid
ME290840
-
-
2713.7
-
caprylate (8:0)
Caprylic acid
ME290841
-
-
4362
-
catechol sulfate
Catechol sulfate
ME290842
-
-
1906
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME290838
-
-
1777
-
chenodeoxycholate
Chenodeoxycholic acid
ME290843
-
-
5264
-
cholate
Cholic acid
ME290844
-
-
5165
-
citrate
Citric acid
ME290845
-
-
582
-
cortisol
Cortisol
ME290846
-
-
4710
-
cortisone
Cortisone
ME290847
-
-
4575
-
dehydroisoandrosterone sulfate (DHEA-S)
Dehydroepiandrosterone sulfate
ME290848
-
-
4745
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME290849
-
-
5730
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME290850
-
-
5596
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME290851
-
-
6034
-
docosadioate (C22-DC)
Docosanedioic acid
ME290852
-
-
5291.8
-
docosahexaenoate (DHA; 22:6n3)
DHA
ME290853
-
-
5525
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME290854
-
-
5571
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME290855
-
-
5624.5
-
dodecadienoate (12:2)
Dodecadienoic acid
ME290856
-
-
5146
-
dodecanedioate (C12-DC)
Dodecanedioic acid
ME290857
-
-
2990
-
dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME290858
-
-
1556.2
-
EDTA
Edetic acid
ME290859
-
-
643
-
eicosanodioate (C20-DC)
Eicosanedioic acid
ME290860
-
-
5200.9
-
eicosapentaenoate (EPA; 20:5n3)
EPA
ME290861
-
-
5450
-
eicosenoate (20:1)
cis-Gondoic acid
ME290862
-
-
5950
-
erucate (22:1n9)
cis-Erucic acid
ME290863
-
-
6355.6
-
gamma-CEHC
gamma-CEHC
ME290864
-
-
3843
-
gamma-glutamylisoleucine
gamma-Glutamylisoleucine
ME290865
-
-
1600
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME290866
-
-
1685
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME290867
-
-
1268
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME290868
-
-
1960
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME290869
-
-
1240
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME290870
-
-
1072
-
glycerol
Glycerol
ME290871
-
-
758
-
glycine conjugate of C10H14O2 (1)
-
ME290872
-
-
4335
-
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME290873
-
-
5236.1
-
glycochenodeoxycholate glucuronide (1)
Glycochenodeoxycholic acid 3-glucuronide
ME290874
-
-
4806
-
glycochenodeoxycholate sulfate
-
ME290875
-
-
4820
-
glycocholate
Glycocholic acid
ME290876
-
-
5163
-
glycocholenate sulfate
Glycocholenate sulfate
ME290877
-
-
4750
-
glycohyocholate
Glycohyocholic acid
ME290878
-
-
5020
-
glycolithocholate sulfate
Sulfoglycolithocholic acid
ME290879
-
-
5011
-
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME290880
-
-
5033
-
guaiacol sulfate
Guaiacol sulfate
ME290881
-
-
2344
-
heptanoate (7:0)
Heptylic acid
ME290882
-
-
3670
-
hexadecadienoate (16:2n6)
7Z,10Z-Hexadecadienoic acid
ME290883
-
-
5398
-
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME290884
-
-
4615
-
hexadecatrienoate (16:3n3)
7,10,13-Hexadecatrienoic acid
ME290885
-
-
5330
-
hexadecenedioate (C16:1-DC)
-
ME290886
-
-
4380
-
hexanoylglutamine
Hexanoylglutamine
ME290887
-
-
2780
-
hippurate
Hippuric acid
ME290888
-
-
2106.9
-
histidine
Histidine
ME290889
-
-
755.9
-
HWESASXX
-
ME290890
-
-
3722
-
hydroxy-CMPF
-
ME290891
-
-
1516
-
hyocholate
Hyocholic acid
ME290892
-
-
5046
-
hypoxanthine
Hypoxanthine
ME290893
-
-
1291.2
-
indole-3-carboxylic acid
Indole-3-carboxylic acid
ME290894
-
-
1710
-
indoleacetate
Indoleacetic acid
ME290895
-
-
2200
-
indolelactate
Indolelactic acid
ME290896
-
-
2286
-
inosine
Inosine
ME290897
-
-
1602.1
-
isoleucylglycine
Ile-Gly
ME290898
-
-
1992
-
isovalerylglycine
Isovalerylglycine
ME290899
-
-
1950
-
kynurenate
Kynurenic acid
ME290900
-
-
2224
-
laurate (12:0)
Lauric acid
ME290901
-
-
5300
-
leucylglycine
Leu-Gly
ME290902
-
-
2050
-
linoleate (18:2n6)
Linoleic acid
ME290903
-
-
5535
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME290904
-
-
5450
-
malate
Malic acid
ME290905
-
-
615.6
-
margarate (17:0)
Margaric acid
ME290906
-
-
5731
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME290907
-
-
2873
-
myristate (14:0)
Myristic acid
ME290908
-
-
5440
-
myristoleate (14:1n5)
Myristoleic acid
ME290909
-
-
5346.9
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME290932
-
-
1668
-
N1-methylinosine
1-Methylinosine
ME290933
-
-
1874
-
N2-methylguanosine
2-Methylguanosine
ME290934
-
-
1988
-
N4-acetylcytidine
N4-Acetylcytidine
ME290935
-
-
2040
-
N6-acetyllysine
N6-Acetyllysine
ME290936
-
-
1059
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME290937
-
-
2164
-
N6-methyladenosine
N6-Methyladenosine
ME290938
-
-
2593
-
N-acetyl-2-aminooctanoate
N-Acetyl-2-aminooctanoic acid
ME290910
-
-
3943
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME290911
-
-
773
-
N-acetylcarnosine
N-Acetylcarnosine
ME290912
-
-
1235
-
N-acetylisoleucine
N-Acetylisoleucine
ME290913
-
-
2325
-
N-acetylleucine
N-Acetylleucine
ME290914
-
-
2400
-
N-acetylmethionine
N-Acetylmethionine
ME290915
-
-
1787
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME290916
-
-
2597
-
N-acetyltaurine
N-Acetyltaurine
ME290917
-
-
800
-
N-acetylthreonine
N-Acetylthreonine
ME290918
-
-
821.6
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME290919
-
-
2630
-
N-acetyltyrosine
N-Acetyltyrosine
ME290920
-
-
1680
-
N-acetylvaline
N-Acetylvaline
ME290921
-
-
1704
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME290922
-
-
858
-
N-formylanthranilic acid
Formylanthranilic acid
ME290923
-
-
2150
-
N-formylmethionine
N-Formylmethionine
ME290924
-
-
1543.8
-
N-formylphenylalanine
N-Formylphenylalanine
ME290925
-
-
2360
-
nisinate (24:6n3)
THA
ME290939
-
-
5657
-
N-oleoylserine
NA-Ser 18:1(9Z)
ME290926
-
-
5600
-
N-oleoyltaurine
N-Oleoyl taurine
ME290927
-
-
5610
-
nonadecanoate (19:0)
Nonadecylic acid
ME290940
-
-
6068
-
N-palmitoylglycine
N-Palmitoyl glycine
ME290928
-
-
5580
-
N-palmitoylserine
N-Palmitoyl serine
ME290929
-
-
5557
-
N-stearoylserine
N-Stearoyl serine
ME290930
-
-
5777
-
N-stearoyltaurine
N-Stearoyl taurine
ME290931
-
-
5782
-
octadecadienedioate (C18:2-DC)
Octadecanedioic acid
ME290942
-
-
4676
-
octadecanedioate (C18-DC)
Octadecanedioic acid
ME290943
-
-
5043
-
octadecenedioate (C18:1-DC)
-
ME290944
-
-
4875
-
oleate/vaccenate (18:1)
Oleic acid
ME290945
-
-
5655
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME290941
-
-
990
-
oxalate (ethanedioate)
Oxalic acid
ME290946
-
-
603
-
palmitate (16:0)
Palmitic acid
ME290948
-
-
5618
-
palmitoleate (16:1n7)
Palmitoleic acid
ME290949
-
-
5475
-
pantothenate
Pantothenic acid
ME290950
-
-
1498.7
-
p-cresol sulfate
p-Cresol sulfate
ME290947
-
-
2890
-
pentadecanoate (15:0)
Pentadecylic acid
ME290951
-
-
5521
-
perfluorooctanesulfonic acid (PFOS)
Perfluorooctanesulfonic acid
ME290952
-
-
5233
-
perfluorooctanoate (PFOA)
Perfluorooctanoic acid
ME290953
-
-
5130
-
phenol sulfate
Phenyl hydrogen sulfate
ME290954
-
-
2156
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME290955
-
-
2330
-
phenyllactate (PLA)
Phenyllactic acid
ME290956
-
-
2208
-
phenylpyruvate
Phenylpyruvic acid
ME290957
-
-
2515
-
phytanate
Phytanic acid
ME290958
-
-
5908
-
pregnenediol disulfate (C21H34O8S2)
-
ME290959
-
-
3868
-
pregnenediol sulfate (C21H34O5S)
Pregnenolone sulfate
ME290960
-
-
5000
-
pregnenolone sulfate
Pregnenolone sulfate
ME290961
-
-
5100
-
pseudouridine
Pseudouridine
ME290962
-
-
1100
-
pyridoxate
4-Pyridoxic acid
ME290963
-
-
2185
-
pyruvate
Pyruvic acid
ME290964
-
-
732.4
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME290965
-
-
1832.4
-
sebacate (C10-DC)
Sebacic acid
ME290967
-
-
1788
-
S-methylcysteine
Methylcysteine
ME290966
-
-
880
-
stearate (18:0)
Stearic acid
ME290968
-
-
5872
-
stearidonate (18:4n3)
Stearidonic acid
ME290969
-
-
5395
-
suberate (C8-DC)
Suberic acid
ME290970
-
-
804.3
-
succinate
Succinic acid
ME290971
-
-
603
-
sulfate
Sulfate
ME290972
-
-
616
-
tartarate
Tartaric acid
ME290973
-
-
615.3
-
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME290974
-
-
610
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME290975
-
-
5250
-
taurocholate
Taurocholic acid
ME290976
-
-
5150
-
taurocholenate sulfate
Taurocholenate sulfate
ME290977
-
-
4750
-
taurohyocholate
Taurohyocholic acid
ME290978
-
-
5000
-
taurolithocholate 3-sulfate
Taurolithocholic acid sulfate
ME290979
-
-
5027
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME290980
-
-
5025
-
tetradecanedioate (C14-DC)
Tetradecanedioic acid
ME290981
-
-
4000
-
thymol sulfate
-
ME290982
-
-
4410
-
thyroxine
Thyroxine
ME290983
-
-
4808
-
tyramine O-sulfate
Tyramine-O-sulfate
ME290984
-
-
1565
-
urate
Uric acid
ME290985
-
-
757.1
-
uridine
Uridine
ME290986
-
-
1457.6
-
valylglutamine
Val-Gln
ME290987
-
-
1484
-
valylglycine
Val-Gly
ME290988
-
-
1506
-
vanillactate
Vanillactic acid
ME290989
-
-
1625
-
vanillylmandelate (VMA)
Vanillylmandelic acid
ME290990
-
-
941
-
xanthurenate
Xanthurenic acid
ME290991
-
-
1476
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-linoleoyl-GPA (18:2)
LPA 18:2/0:0
ME290992
-
-
1441
-
1-oleoyl-GPA (18:1)
LPA 18:1/0:0
ME290993
-
-
1433
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME290996
-
-
1050
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME290994
-
-
1258
-
2-isopropylmalate
2-Isopropylmalic acid
ME290995
-
-
2605
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME290997
-
-
1443.3
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME290998
-
-
2850
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME290999
-
-
1444
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME291000
-
-
1619
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME291001
-
-
2411
-
3-methylglutaconate
3E-Methylglutaconic acid
ME291002
-
-
2700
-
4-hydroxy-2-oxoglutaric acid
4-Hydroxy-2-oxoglutaric acid
ME291003
-
-
3073
-
allantoin
Allantoin
ME291004
-
-
1672
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME291005
-
-
1052
-
alpha-ketobutyrate
3-Methyl pyruvic acid
ME291006
-
-
940
-
alpha-ketoglutaramate
2-Keto-glutaramic acid
ME291007
-
-
1916
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME291008
-
-
2700
-
arabinose
Arabinose
ME291009
-
-
1804.5
-
arabitol/xylitol
Arabitol
ME291010
-
-
1932.4
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME291011
-
-
2700
-
dihydroorotate
4,5-Dihydroorotic acid
ME291012
-
-
1910
-
erythritol
Erythritol
ME291013
-
-
1491
-
erythronate
Erythronic acid
ME291014
-
-
2186
-
ethylmalonate
Ethylmalonic acid
ME291015
-
-
2785
-
fructose
Fructose
ME291016
-
-
2065
-
fumarate
Fumaric acid
ME291017
-
-
3084
-
galactonate
Galactonic acid
ME291018
-
-
3085
-
gentisate
Gentisic acid
ME291019
-
-
905
-
gluconate
Gluconic acid
ME291020
-
-
2922
-
glucose
Glucose
ME291021
-
-
2342
-
glucuronate
Glucuronic acid
ME291022
-
-
3233.3
-
glutarate (C5-DC)
Glutaric acid
ME291023
-
-
2900
-
glycerate
Glyceric acid
ME291024
-
-
2070.4
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME291025
-
-
2430
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME291026
-
-
3003.1
-
glycolate (hydroxyacetate)
Glycolic acid
ME291027
-
-
1790.4
-
guanidinoacetate
Guanidoacetic acid
ME291028
-
-
2884
-
gulonate
Gulonic acid
ME291029
-
-
2750
-
heptenedioate (C7:1-DC)
-
ME291030
-
-
2816
-
isocitric lactone
Isocitric acid lactone
ME291031
-
-
2970
-
lactate
Lactic acid
ME291032
-
-
1468.8
-
maleate
Maleic acid
ME291033
-
-
2640
-
mannitol/sorbitol
Sorbitol
ME291034
-
-
2320
-
mannose
Mannose
ME291035
-
-
2200
-
methylsuccinate
Methylsuccinic acid
ME291036
-
-
2800
-
myo-inositol
Myo-inositol
ME291037
-
-
3506.3
-
N-acetylalanine
N-Acetylalanine
ME291038
-
-
1564.8
-
N-acetylglutamine
N-Acetylglutamine
ME291039
-
-
2140
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME291040
-
-
3072.6
-
N-acetylserine
N-Acetylserine
ME291041
-
-
2000
-
orotate
Orotic acid
ME291042
-
-
1638.1
-
orotidine
Orotidine
ME291043
-
-
2250
-
quinate
Quinic acid
ME291044
-
-
2432.9
-
ribitol
Ribitol
ME291045
-
-
1789.6
-
ribonate
Ribonic acid
ME291046
-
-
2425
-
ribulonate/xylulonate
-
ME291047
-
-
2350
-
salicylate
Salicylic acid
ME291048
-
-
802
-
succinimide
Succinimide
ME291049
-
-
2155
-
threonate
Threonic acid
ME291050
-
-
2384
-
trans-urocanate
Urocanic acid
ME291051
-
-
1882.5
-
uracil
Uracil
ME291052
-
-
1089.7
-
xanthine
Xanthine
ME291053
-
-
2023
-
xylose
Xylose
ME291054
-
-
1727
-
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