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Return to study ST002063 main page
Analysis: Reversed phase UNSPECIFIED ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Furoic acid
2-Furoic acid
ME475728
-
-
-
-
3,4-Dimethylbenzoic acid
3,4-Dimethylbenzoic acid
ME475720
-
-
-
-
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME475713
-
-
-
-
3-Methylhistidine
3-Methylhistidine
ME475753
-
-
-
-
4-Oxoproline
4-Oxo-proline
ME475739
-
-
-
-
4-Pyridoxic acid
4-Pyridoxic acid
ME475701
-
-
-
-
6-Hydroxycaproic acid
6-Hydroxycaproic acid
ME475733
-
-
-
-
Acrylic acid
Acrylic acid
ME475688
-
-
-
-
Adipic acid
Adipic acid
ME475709
-
-
-
-
DL-Alanine
Alanine
ME475747
-
-
-
-
Arachidonic acid
Arachidonic acid
ME475721
-
-
-
-
Azelaic acid
Azelaic acid
ME475710
-
-
-
-
Benzoic acid
Benzoic acid
ME475749
-
-
-
-
β-Alanine
beta-Alanine
ME475692
-
-
-
-
Caprylic acid
Caprylic acid
ME475729
-
-
-
-
ChE(16:0)
CE 16:0
ME475478
-
-
-
-
ChE(16:1)
CE 16:1
ME475479
-
-
-
-
ChE(18:1)
CE 18:1
ME475480
-
-
-
-
ChE(18:2)
CE 18:2
ME475481
-
-
-
-
ChE(18:3)
CE 18:3
ME475482
-
-
-
-
ChE(20:2)
CE 20:2
ME475483
-
-
-
-
ChE(20:3)
CE 20:3
ME475484
-
-
-
-
ChE(20:4)
CE 20:4
ME475485
-
-
-
-
ChE(22:5)
CE 22:5
ME475486
-
-
-
-
ChE(22:6)
CE 22:6
ME475487
-
-
-
-
Cer(d18:0/17:0)
Cer 18:0;O2/17:0
ME475472
-
-
-
-
Cer(d18:0/24:0)
Cer 18:0;O2/24:0
ME475473
-
-
-
-
Cer(d34:1)
Cer 34:1;O2
ME475474
-
-
-
-
Cer(d36:1)
Cer 36:1;O2
ME475475
-
-
-
-
Cer(d38:1)
Cer 38:1;O2
ME475476
-
-
-
-
Cinnamoylglycine
Cinnamoylglycine
ME475734
-
-
-
-
3-Hydroxy-L-proline
cis-3-Hydroxyproline
ME475689
-
-
-
-
Citric acid
Citric acid
ME475706
-
-
-
-
DG(18:0/16:0)
DG 16:0_18:0
ME475488
-
-
-
-
DG(20:0/16:0)
DG 16:0_20:0
ME475494
-
-
-
-
DG(18:0/18:0)
DG 18:0_18:0
ME475489
-
-
-
-
DG(18:0/18:1)
DG 18:0_18:1
ME475490
-
-
-
-
DG(18:0/18:2)
DG 18:0_18:2
ME475491
-
-
-
-
DG(18:0/20:0)
DG 18:0_20:0
ME475492
-
-
-
-
DG(18:2/18:2)
DG 18:2_18:2
ME475493
-
-
-
-
DG(37:0)
DG 37:0
ME475495
-
-
-
-
DG(41:0)
DG 41:0
ME475496
-
-
-
-
D-(+)-Tryptophan
D-Tryptophan
ME475704
-
-
-
-
Ethyl myristate
Ethyl tetradecanoate
ME475719
-
-
-
-
11(Z),14(Z),17(Z)-Eicosatrienoic acid
ETrE(11Z,14Z,17Z)
ME475750
-
-
-
-
Gentisic acid
Gentisic acid
ME475715
-
-
-
-
Gluconic acid
Gluconic acid
ME475698
-
-
-
-
L-Glutamic acid
Glutamic acid
ME475754
-
-
-
-
(2R)-2,3-Dihydroxypropanoic acid
Glyceric acid
ME475755
-
-
-
-
Glycine
Glycine
ME475690
-
-
-
-
Glyoxylic acid
Glyoxylic acid
ME475697
-
-
-
-
Heptanoic acid
Heptylic acid
ME475740
-
-
-
-
CerG2(d18:1/16:0)
Hex2Cer 18:1;O2/16:0
ME475477
-
-
-
-
D-α-Hydroxyglutaric acid
Hydroxyglutaric acid
ME475743
-
-
-
-
3-Indoxyl sulphate
Indoxyl sulfate
ME475724
-
-
-
-
N-Isovalerylglycine
Isovalerylglycine
ME475714
-
-
-
-
16-Hydroxyhexadecanoic acid
Juniperic acid
ME475723
-
-
-
-
L-(+)-Lactic acid
Lactic acid
ME475700
-
-
-
-
Linoleic acid
Linoleic acid
ME475691
-
-
-
-
LPC(14:0)
LPC 14:0
ME475497
-
-
-
-
LPC(15:0)
LPC 15:0
ME475499
-
-
-
-
LPC(16:0)
LPC 16:0
ME475500
-
-
-
-
LPC(16:1)
LPC 16:1
ME475501
-
-
-
-
LPC(17:0)
LPC 17:0
ME475502
-
-
-
-
LPC(18:0)
LPC 18:0
ME475503
-
-
-
-
LPC(18:1)
LPC 18:1
ME475504
-
-
-
-
LPC(18:2)
LPC 18:2
ME475505
-
-
-
-
LPC(18:3)
LPC 18:3
ME475506
-
-
-
-
LPC(20:3)
LPC 20:3
ME475507
-
-
-
-
LPC(20:4)
LPC 20:4
ME475508
-
-
-
-
LPC(20:5)
LPC 20:5
ME475509
-
-
-
-
LPC(22:3)
LPC 22:3
ME475510
-
-
-
-
LPC(22:4)
LPC 22:4
ME475511
-
-
-
-
LPC(22:5)
LPC 22:5
ME475512
-
-
-
-
LPC(22:6)
LPC 22:6
ME475513
-
-
-
-
LPC(14:0p)
LPC P-14:0
ME475498
-
-
-
-
LPE(18:2)
LPE 18:2
ME475514
-
-
-
-
DL-Malic acid
Malic acid
ME475703
-
-
-
-
D-(-)-Mannitol
Mannitol
ME475712
-
-
-
-
MG(18:0)
MG 18:0
ME475515
-
-
-
-
MG(18:2)
MG 18:2
ME475516
-
-
-
-
N-Acetylglycine
N-Acetylglycine
ME475693
-
-
-
-
N-Acetylornithine
N-Acetylornithine
ME475746
-
-
-
-
N-Acetylvaline
N-Acetylvaline
ME475745
-
-
-
-
Nitrilotriacetic acid
Nitrilotriacetic acid
ME475694
-
-
-
-
Oleic acid
Oleic acid
ME475718
-
-
-
-
Ornithine
Ornithine
ME475726
-
-
-
-
Palmitoleic acid
Palmitoleic acid
ME475708
-
-
-
-
Pantothenic acid
Pantothenic acid
ME475725
-
-
-
-
PC(12:0/22:2)
PC 12:0/22:2*
ME475517
-
-
-
-
PC(15:0/18:2)
PC 15:0/18:2
ME475524
-
-
-
-
PC(16:0/20:5)
PC 16:0/20:5
ME475525
-
-
-
-
PC(16:1/20:3)
PC 16:1/20:3*
ME475528
-
-
-
-
PC(17:0/20:3)
PC 17:0/20:3
ME475531
-
-
-
-
PC(18:0/20:1)
PC 18:0/20:1
ME475532
-
-
-
-
PC(18:0/20:3)
PC 18:0/20:3
ME475533
-
-
-
-
PC(18:0/20:4)
PC 18:0/20:4
ME475534
-
-
-
-
PC(18:0/20:5)
PC 18:0/20:5
ME475535
-
-
-
-
PC(18:1/18:3)
PC 18:1/18:3
ME475538
-
-
-
-
PC(18:1/20:4)
PC 18:1/20:4
ME475539
-
-
-
-
PC(18:1/22:5)
PC 18:1/22:5
ME475540
-
-
-
-
PC(18:2/13:0)
PC 18:2/13:0*
ME475541
-
-
-
-
PC(18:4/22:1)
PC 18:4/22:1*
ME475542
-
-
-
-
PC(19:2)
PC 19:2
ME475543
-
-
-
-
PC(20:3/18:2)
PC 20:3/18:2*
ME475544
-
-
-
-
PC(20:3/20:3)
PC 20:3/20:3
ME475545
-
-
-
-
PC(20:5/18:2)
PC 20:5/18:2*
ME475546
-
-
-
-
PC(21:0/12:1)
PC 21:0/12:1*
ME475547
-
-
-
-
PC(22:0/12:1)
PC 22:0/12:1*
ME475548
-
-
-
-
PC(22:2/14:1)
PC 22:2/14:1*
ME475549
-
-
-
-
PC(23:1/12:3)
PC 23:1/12:3*
ME475550
-
-
-
-
PC(25:1/12:1)
PC 25:1/12:1*
ME475551
-
-
-
-
PC(26:0/10:1)
PC 26:0/10:1*
ME475552
-
-
-
-
PC(26:0/12:3)
PC 26:0/12:3*
ME475553
-
-
-
-
PC(26:0/14:4)
PC 26:0/14:4*
ME475554
-
-
-
-
PC(26:1/10:4)
PC 26:1/10:4*
ME475555
-
-
-
-
PC(26:1/12:3)
PC 26:1/12:3*
ME475556
-
-
-
-
PC(27:0/10:4)
PC 27:0/10:4*
ME475557
-
-
-
-
PC(28:0/10:4)
PC 28:0/10:4*
ME475558
-
-
-
-
PC(29:0/10:4)
PC 29:0/10:4*
ME475559
-
-
-
-
PC(30:0)
PC 30:0
ME475560
-
-
-
-
PC(30:0/10:4)
PC 30:0/10:4*
ME475561
-
-
-
-
PC(30:1/10:4)
PC 30:1/10:4*
ME475563
-
-
-
-
PC(31:0)
PC 31:0
ME475566
-
-
-
-
PC(31:1)
PC 31:1
ME475569
-
-
-
-
PC(31:3)
PC 31:3
ME475572
-
-
-
-
PC(32:0)
PC 32:0
ME475573
-
-
-
-
PC(32:1)
PC 32:1
ME475575
-
-
-
-
PC(32:2)
PC 32:2
ME475578
-
-
-
-
PC(33:0)
PC 33:0
ME475581
-
-
-
-
PC(33:1)
PC 33:1
ME475583
-
-
-
-
PC(33:2)
PC 33:2
ME475585
-
-
-
-
PC(33:3)
PC 33:3
ME475587
-
-
-
-
PC(34:0)
PC 34:0
ME475588
-
-
-
-
PC(34:1)
PC 34:1
ME475590
-
-
-
-
PC(34:2)
PC 34:2
ME475592
-
-
-
-
PC(34:3)
PC 34:3
ME475595
-
-
-
-
PC(34:4)
PC 34:4
ME475597
-
-
-
-
PC(35:0)
PC 35:0
ME475600
-
-
-
-
PC(35:1)
PC 35:1
ME475601
-
-
-
-
PC(35:2)
PC 35:2
ME475603
-
-
-
-
PC(35:3)
PC 35:3
ME475605
-
-
-
-
PC(35:4)
PC 35:4
ME475607
-
-
-
-
PC(35:5)
PC 35:5
ME475608
-
-
-
-
PC(36:0)
PC 36:0
ME475609
-
-
-
-
PC(36:1)
PC 36:1
ME475610
-
-
-
-
PC(36:2)
PC 36:2
ME475612
-
-
-
-
PC(36:3)
PC 36:3
ME475615
-
-
-
-
PC(36:4)
PC 36:4
ME475616
-
-
-
-
PC(36:5)
PC 36:5
ME475619
-
-
-
-
PC(36:6)
PC 36:6
ME475621
-
-
-
-
PC(37:1)
PC 37:1
ME475623
-
-
-
-
PC(37:2)
PC 37:2
ME475624
-
-
-
-
PC(37:3)
PC 37:3
ME475625
-
-
-
-
PC(37:4)
PC 37:4
ME475627
-
-
-
-
PC(37:5)
PC 37:5
ME475628
-
-
-
-
PC(37:6)
PC 37:6
ME475629
-
-
-
-
PC(38:0)
PC 38:0
ME475630
-
-
-
-
PC(38:1)
PC 38:1
ME475631
-
-
-
-
PC(38:2)
PC 38:2
ME475632
-
-
-
-
PC(38:3)
PC 38:3
ME475633
-
-
-
-
PC(38:5)
PC 38:5
ME475637
-
-
-
-
PC(38:6)
PC 38:6
ME475638
-
-
-
-
PC(38:7)
PC 38:7
ME475641
-
-
-
-
PC(38:8)
PC 38:8
ME475642
-
-
-
-
PC(39:3)
PC 39:3
ME475643
-
-
-
-
PC(39:4)
PC 39:4
ME475644
-
-
-
-
PC(39:5)
PC 39:5
ME475645
-
-
-
-
PC(39:7)
PC 39:7
ME475646
-
-
-
-
PC(40:3)
PC 40:3
ME475647
-
-
-
-
PC(40:4)
PC 40:4
ME475648
-
-
-
-
PC(40:5)
PC 40:5
ME475649
-
-
-
-
PC(40:6)
PC 40:6
ME475651
-
-
-
-
PC(40:7)
PC 40:7
ME475653
-
-
-
-
PC(40:8)
PC 40:8
ME475654
-
-
-
-
PC(40:9)
PC 40:9
ME475655
-
-
-
-
PC(42:5)
PC 42:5
ME475656
-
-
-
-
PC(42:6)
PC 42:6
ME475657
-
-
-
-
PC(42:7)
PC 42:7
ME475658
-
-
-
-
PC(42:8)
PC 42:8
ME475659
-
-
-
-
PC(12:0e/8:0)
PC O-12:0/8:0*
ME475518
-
-
-
-
PC(14:0e/18:2)
PC O-14:0/18:2
ME475519
-
-
-
-
PC(14:0e/20:4)
PC O-14:0/20:4
ME475520
-
-
-
-
PC(14:0e/22:4)
PC O-14:0/22:4
ME475521
-
-
-
-
PC(16:0e/20:5)
PC O-16:0/20:5
ME475526
-
-
-
-
PC(30:0e)
PC O-30:0
ME475562
-
-
-
-
PC(30:1e)
PC O-30:1
ME475564
-
-
-
-
PC(31:0e)
PC O-31:0
ME475567
-
-
-
-
PC(32:0e)
PC O-32:0
ME475574
-
-
-
-
PC(32:1e)
PC O-32:1
ME475576
-
-
-
-
PC(32:4e)
PC O-32:4
ME475580
-
-
-
-
PC(34:0e)
PC O-34:0
ME475589
-
-
-
-
PC(34:1e)
PC O-34:1
ME475591
-
-
-
-
PC(34:2e)
PC O-34:2
ME475593
-
-
-
-
PC(34:6e)
PC O-34:6
ME475599
-
-
-
-
PC(36:1e)
PC O-36:1
ME475611
-
-
-
-
PC(36:2e)
PC O-36:2
ME475613
-
-
-
-
PC(36:4e)
PC O-36:4
ME475617
-
-
-
-
PC(38:3e)
PC O-38:3
ME475634
-
-
-
-
PC(38:4e)
PC O-38:4
ME475635
-
-
-
-
PC(38:6e)
PC O-38:6
ME475639
-
-
-
-
PC(40:5e)
PC O-40:5
ME475650
-
-
-
-
PC(40:6e)
PC O-40:6
ME475652
-
-
-
-
PC(14:0p/20:4)
PC P-14:0/20:4
ME475522
-
-
-
-
PC(14:0p/20:5)
PC P-14:0/20:5
ME475523
-
-
-
-
PC(16:0p/20:1)
PC P-16:0/20:1
ME475527
-
-
-
-
PC(16:1p/16:0)
PC P-16:1/16:0
ME475529
-
-
-
-
PC(16:1p/18:0)
PC P-16:1/18:0
ME475530
-
-
-
-
PC(18:0p/18:2)
PC P-18:0/18:2
ME475536
-
-
-
-
PC(18:0p/20:4)
PC P-18:0/20:4
ME475537
-
-
-
-
PC(30:2p)
PC P-30:2
ME475565
-
-
-
-
PC(31:0p)
PC P-31:0
ME475568
-
-
-
-
PC(31:1p)
PC P-31:1
ME475570
-
-
-
-
PC(31:2p)
PC P-31:2
ME475571
-
-
-
-
PC(32:1p)
PC P-32:1
ME475577
-
-
-
-
PC(32:2p)
PC P-32:2
ME475579
-
-
-
-
PC(33:0p)
PC P-33:0
ME475582
-
-
-
-
PC(33:1p)
PC P-33:1
ME475584
-
-
-
-
PC(33:2p)
PC P-33:2
ME475586
-
-
-
-
PC(34:2p)
PC P-34:2
ME475594
-
-
-
-
PC(34:3p)
PC P-34:3
ME475596
-
-
-
-
PC(34:4p)
PC P-34:4
ME475598
-
-
-
-
PC(35:1p)
PC P-35:1
ME475602
-
-
-
-
PC(35:2p)
PC P-35:2
ME475604
-
-
-
-
PC(35:3p)
PC P-35:3
ME475606
-
-
-
-
PC(36:2p)
PC P-36:2
ME475614
-
-
-
-
PC(36:4p)
PC P-36:4
ME475618
-
-
-
-
PC(36:5p)
PC P-36:5
ME475620
-
-
-
-
PC(36:6p)
PC P-36:6
ME475622
-
-
-
-
PC(37:3p)
PC P-37:3
ME475626
-
-
-
-
PC(38:4p)
PC P-38:4
ME475636
-
-
-
-
PC(38:6p)
PC P-38:6
ME475640
-
-
-
-
4-Methylphenol
P-Cresol
ME475731
-
-
-
-
PE(16:0/18:1)
PE 16:0/18:1
ME475662
-
-
-
-
PE(16:0/20:4)
PE 16:0/20:4
ME475663
-
-
-
-
PE(16:0/20:5)
PE 16:0/20:5
ME475664
-
-
-
-
PE(18:0/18:1)
PE 18:0/18:1
ME475668
-
-
-
-
PE(18:0/18:2)
PE 18:0/18:2
ME475669
-
-
-
-
PE(18:0/20:4)
PE 18:0/20:4
ME475670
-
-
-
-
PE(41:6)
PE 41:6
ME475684
-
-
-
-
Pentadecanoic acid
Pentadecylic acid
ME475737
-
-
-
-
PE(18:2e)
PE O-18:2
ME475674
-
-
-
-
PE(34:1e)
PE O-34:1
ME475676
-
-
-
-
PE(34:2e)
PE O-34:2
ME475677
-
-
-
-
PE(36:2e)
PE O-36:2
ME475678
-
-
-
-
PE(36:4e)
PE O-36:4
ME475680
-
-
-
-
PE(38:6e)
PE O-38:6
ME475682
-
-
-
-
PE(40:6e)
PE O-40:6
ME475683
-
-
-
-
PE(14:0p/18:2)
PE P-14:0/18:2
ME475660
-
-
-
-
PE(14:0p/20:4)
PE P-14:0/20:4
ME475661
-
-
-
-
PE(16:0p/18:2)
PE P-16:0/18:2
ME475665
-
-
-
-
PE(16:0p/20:4)
PE P-16:0/20:4
ME475666
-
-
-
-
PE(16:0p/22:5)
PE P-16:0/22:5
ME475667
-
-
-
-
PE(18:0p/20:4)
PE P-18:0/20:4
ME475671
-
-
-
-
PE(18:0p/22:4)
PE P-18:0/22:4
ME475672
-
-
-
-
PE(18:0p/22:5)
PE P-18:0/22:5
ME475673
-
-
-
-
PE(33:2p)
PE P-33:2
ME475675
-
-
-
-
PE(36:2p)
PE P-36:2
ME475679
-
-
-
-
PE(38:4p)
PE P-38:4
ME475681
-
-
-
-
Phenylacetylglycine
Phenylacetylglycine
ME475751
-
-
-
-
L-Phenylalanine
Phenylalanine
ME475711
-
-
-
-
PI(18:0/20:4)
PI 18:0/20:4
ME475685
-
-
-
-
PI(36:3)
PI 36:3
ME475686
-
-
-
-
PS(36:3)
PS 36:3
ME475687
-
-
-
-
Pseudouridine
Pseudouridine
ME475742
-
-
-
-
Pyruvic acid
Pyruvic acid
ME475748
-
-
-
-
D-(-)-Quinic acid
Quinic acid
ME475741
-
-
-
-
Salicylic acid
Salicylic acid
ME475730
-
-
-
-
2-Hydroxyhippuric acid
Salicyluric acid
ME475699
-
-
-
-
Succinic acid
Succinic acid
ME475736
-
-
-
-
Taurine
Taurine
ME475717
-
-
-
-
L-Tyrosine
Tyrosine
ME475696
-
-
-
-
Uridine
Uridine
ME475735
-
-
-
-
2,4-Quinolinediol
-
ME475752
-
-
-
-
3-Hydroxybutyric acid isomer
-
ME475716
-
-
-
-
4-Hydroxybutyric acid (GHB)
-
ME475744
-
-
-
-
DL-Aspartic acid isomer
-
ME475738
-
-
-
-
DL-Lactic Acid
-
ME475695
-
-
-
-
β-D-Glucopyranuronic acid
-
ME475707
-
-
-
-
Î¥-Aminobutyric acid (GABA)
-
ME475705
-
-
-
-
α-Eleostearic acid
-
ME475722
-
-
-
-
Isophthalic acid
-
ME475702
-
-
-
-
Myristyl sulfate
-
ME475727
-
-
-
-
Ornithine isomer
-
ME475732
-
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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