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Return to study ST000457 main page
Analysis: Reversed phase-1 POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Ala
Alanine
ME153550
-
-
-
-
alpha-AAA
Aminoadipic acid
ME153573
-
-
-
-
Arg
Arginine
ME153551
-
-
-
-
Asn
Asparagine
ME153552
-
-
-
-
Asp
Aspartic acid
ME153553
-
-
-
-
C10
CAR 10:0
ME153511
-
-
-
-
C10:1
CAR 10:1
ME153512
-
-
-
-
C10:2
CAR 10:2
ME153513
-
-
-
-
C12
CAR 12:0
ME153514
-
-
-
-
C12:1
CAR 12:1
ME153516
-
-
-
-
C14
CAR 14:0
ME153517
-
-
-
-
C14:1
CAR 14:1
ME153518
-
-
-
-
C14:1-OH
CAR 14:1;OH
ME153519
-
-
-
-
C14:2
CAR 14:2
ME153520
-
-
-
-
C14:2-OH
CAR 14:2;OH
ME153521
-
-
-
-
C16
CAR 16:0
ME153522
-
-
-
-
C16-OH
CAR 16:0;OH
ME153523
-
-
-
-
C16:1
CAR 16:1
ME153524
-
-
-
-
C16:1-OH
CAR 16:1;OH
ME153525
-
-
-
-
C16:2
CAR 16:2
ME153526
-
-
-
-
C16:2-OH
CAR 16:2;OH
ME153527
-
-
-
-
C18
CAR 18:0
ME153528
-
-
-
-
C18:1
CAR 18:1
ME153529
-
-
-
-
C18:1-OH
CAR 18:1;OH
ME153530
-
-
-
-
C18:2
CAR 18:2
ME153531
-
-
-
-
C2
CAR 2:0
ME153532
-
-
-
-
C3
CAR 3:0
ME153533
-
-
-
-
C3-OH
CAR 3:0;OH
ME153535
-
-
-
-
C3:1
CAR 3:1
ME153536
-
-
-
-
C4
CAR 4:0
ME153537
-
-
-
-
C4:1
CAR 4:1
ME153538
-
-
-
-
C5
CAR 5:0
ME153540
-
-
-
-
C5-OH (C3-DC-M)
CAR 5:0;OH
ME153542
-
-
-
-
C5:1
CAR 5:1
ME153543
-
-
-
-
C6 (C4:1-DC)
CAR 6:0
ME153539
-
-
-
-
C6:1
CAR 6:1
ME153546
-
-
-
-
C8
CAR 8:0
ME153548
-
-
-
-
C9
CAR 9:0
ME153549
-
-
-
-
C12-DC
CAR DC12:0
ME153515
-
-
-
-
C3-DC (C4-OH)
CAR DC3:0
ME153534
-
-
-
-
C5-DC (C6-OH)
CAR DC5:0
ME153545
-
-
-
-
C5-M-DC
CAR DC5:0;3Me
ME153541
-
-
-
-
C5:1-DC
CAR DC5:1
ME153544
-
-
-
-
C7-DC
CAR DC7:0
ME153547
-
-
-
-
C0
Carnitine
ME153510
-
-
-
-
Carnosine
Carnosine
ME153575
-
-
-
-
c4-OH-Pro
cis-4-Hydroxyproline
ME153574
-
-
-
-
Cit
Citric acid
ME153554
-
-
-
-
Creatinine
Creatinine
ME153576
-
-
-
-
ADMA
Dimethylarginine
ME153572
-
-
-
-
total DMA
Dimethylarginine
ME153591
-
-
-
-
DOPA
DOPA
ME153577
-
-
-
-
Dopamine
Dopamine
ME153578
-
-
-
-
Glu
Glutamic acid
ME153556
-
-
-
-
Gln
Glutamine
ME153555
-
-
-
-
Gly
Glycine
ME153557
-
-
-
-
H1
Hexose
ME153697
-
-
-
-
Histamine
Histamine
ME153579
-
-
-
-
His
Histidine
ME153558
-
-
-
-
Ile
Isoleucine
ME153559
-
-
-
-
Kynurenine
Kynurenine
ME153580
-
-
-
-
Leu
Leucine
ME153560
-
-
-
-
lysoPC a C14:0
LPC 14:0
ME153592
-
-
-
-
lysoPC a C16:0
LPC 16:0
ME153593
-
-
-
-
lysoPC a C16:1
LPC 16:1
ME153594
-
-
-
-
lysoPC a C17:0
LPC 17:0
ME153595
-
-
-
-
lysoPC a C18:0
LPC 18:0
ME153596
-
-
-
-
lysoPC a C18:1
LPC 18:1
ME153597
-
-
-
-
lysoPC a C18:2
LPC 18:2
ME153598
-
-
-
-
lysoPC a C20:3
LPC 20:3
ME153599
-
-
-
-
lysoPC a C20:4
LPC 20:4
ME153600
-
-
-
-
lysoPC a C24:0
LPC 24:0
ME153601
-
-
-
-
lysoPC a C26:0
LPC 26:0
ME153602
-
-
-
-
lysoPC a C26:1
LPC 26:1
ME153603
-
-
-
-
lysoPC a C28:0
LPC 28:0
ME153604
-
-
-
-
lysoPC a C28:1
LPC 28:1
ME153605
-
-
-
-
Lys
Lysine
ME153561
-
-
-
-
Met
Methionine
ME153562
-
-
-
-
Met-SO
Methionine sulfoxide
ME153581
-
-
-
-
Ac-Orn
N-Acetylornithine
ME153571
-
-
-
-
Nitro-Tyr
Nitrotyrosine
ME153582
-
-
-
-
Orn
Ornithine
ME153563
-
-
-
-
PEA
Palmitoyl-EA
ME153583
-
-
-
-
PC aa C24:0
PC 24:0
ME153606
-
-
-
-
PC aa C26:0
PC 26:0
ME153607
-
-
-
-
PC aa C28:1
PC 28:1
ME153608
-
-
-
-
PC aa C30:0
PC 30:0
ME153609
-
-
-
-
PC aa C30:2
PC 30:2
ME153610
-
-
-
-
PC aa C32:0
PC 32:0
ME153611
-
-
-
-
PC aa C32:1
PC 32:1
ME153612
-
-
-
-
PC aa C32:2
PC 32:2
ME153613
-
-
-
-
PC aa C32:3
PC 32:3
ME153614
-
-
-
-
PC aa C34:1
PC 34:1
ME153615
-
-
-
-
PC aa C34:2
PC 34:2
ME153616
-
-
-
-
PC aa C34:3
PC 34:3
ME153617
-
-
-
-
PC aa C34:4
PC 34:4
ME153618
-
-
-
-
PC aa C36:0
PC 36:0
ME153619
-
-
-
-
PC aa C36:1
PC 36:1
ME153620
-
-
-
-
PC aa C36:2
PC 36:2
ME153621
-
-
-
-
PC aa C36:3
PC 36:3
ME153622
-
-
-
-
PC aa C36:4
PC 36:4
ME153623
-
-
-
-
PC aa C36:5
PC 36:5
ME153624
-
-
-
-
PC aa C36:6
PC 36:6
ME153625
-
-
-
-
PC aa C38:0
PC 38:0
ME153626
-
-
-
-
PC aa C38:1
PC 38:1
ME153627
-
-
-
-
PC aa C38:3
PC 38:3
ME153628
-
-
-
-
PC aa C38:4
PC 38:4
ME153629
-
-
-
-
PC aa C38:5
PC 38:5
ME153630
-
-
-
-
PC aa C38:6
PC 38:6
ME153631
-
-
-
-
PC aa C40:1
PC 40:1
ME153632
-
-
-
-
PC aa C40:2
PC 40:2
ME153633
-
-
-
-
PC aa C40:3
PC 40:3
ME153634
-
-
-
-
PC aa C40:4
PC 40:4
ME153635
-
-
-
-
PC aa C40:5
PC 40:5
ME153636
-
-
-
-
PC aa C40:6
PC 40:6
ME153637
-
-
-
-
PC aa C42:0
PC 42:0
ME153638
-
-
-
-
PC aa C42:1
PC 42:1
ME153639
-
-
-
-
PC aa C42:2
PC 42:2
ME153640
-
-
-
-
PC aa C42:4
PC 42:4
ME153641
-
-
-
-
PC aa C42:5
PC 42:5
ME153642
-
-
-
-
PC aa C42:6
PC 42:6
ME153643
-
-
-
-
PC ae C30:0
PC O-30:0
ME153644
-
-
-
-
PC ae C30:1
PC O-30:1
ME153645
-
-
-
-
PC ae C30:2
PC O-30:2
ME153646
-
-
-
-
PC ae C32:1
PC O-32:1
ME153647
-
-
-
-
PC ae C32:2
PC O-32:2
ME153648
-
-
-
-
PC ae C34:0
PC O-34:0
ME153649
-
-
-
-
PC ae C34:1
PC O-34:1
ME153650
-
-
-
-
PC ae C34:2
PC O-34:2
ME153651
-
-
-
-
PC ae C34:3
PC O-34:3
ME153652
-
-
-
-
PC ae C36:0
PC O-36:0
ME153653
-
-
-
-
PC ae C36:1
PC O-36:1
ME153654
-
-
-
-
PC ae C36:2
PC O-36:2
ME153655
-
-
-
-
PC ae C36:3
PC O-36:3
ME153656
-
-
-
-
PC ae C36:4
PC O-36:4
ME153657
-
-
-
-
PC ae C36:5
PC O-36:5
ME153658
-
-
-
-
PC ae C38:0
PC O-38:0
ME153659
-
-
-
-
PC ae C38:1
PC O-38:1
ME153660
-
-
-
-
PC ae C38:2
PC O-38:2
ME153661
-
-
-
-
PC ae C38:3
PC O-38:3
ME153662
-
-
-
-
PC ae C38:4
PC O-38:4
ME153663
-
-
-
-
PC ae C38:5
PC O-38:5
ME153664
-
-
-
-
PC ae C38:6
PC O-38:6
ME153665
-
-
-
-
PC ae C40:1
PC O-40:1
ME153666
-
-
-
-
PC ae C40:2
PC O-40:2
ME153667
-
-
-
-
PC ae C40:3
PC O-40:3
ME153668
-
-
-
-
PC ae C40:4
PC O-40:4
ME153669
-
-
-
-
PC ae C40:5
PC O-40:5
ME153670
-
-
-
-
PC ae C40:6
PC O-40:6
ME153671
-
-
-
-
PC ae C42:0
PC O-42:0
ME153672
-
-
-
-
PC ae C42:1
PC O-42:1
ME153673
-
-
-
-
PC ae C42:2
PC O-42:2
ME153674
-
-
-
-
PC ae C42:3
PC O-42:3
ME153675
-
-
-
-
PC ae C42:4
PC O-42:4
ME153676
-
-
-
-
PC ae C42:5
PC O-42:5
ME153677
-
-
-
-
PC ae C44:3
PC O-44:3
ME153678
-
-
-
-
PC ae C44:4
PC O-44:4
ME153679
-
-
-
-
PC ae C44:5
PC O-44:5
ME153680
-
-
-
-
PC ae C44:6
PC O-44:6
ME153681
-
-
-
-
Phe
Phenylalanine
ME153564
-
-
-
-
Pro
Proline
ME153565
-
-
-
-
Putrescine
Putrescine
ME153584
-
-
-
-
Ser
Serine
ME153566
-
-
-
-
Serotonin
Serotonin
ME153586
-
-
-
-
SM (OH) C14:1
SM 18:1;O2/14:1;O
ME153682
-
-
-
-
SM C16:0
SM 18:1;O2/16:0
ME153687
-
-
-
-
SM C16:1
SM 18:1;O2/16:1
ME153688
-
-
-
-
SM (OH) C16:1
SM 18:1;O2/16:1;O
ME153683
-
-
-
-
SM C18:0
SM 18:1;O2/18:0
ME153689
-
-
-
-
SM C18:1
SM 18:1;O2/18:1
ME153690
-
-
-
-
SM C20:2
SM 18:1;O2/20:2
ME153691
-
-
-
-
SM (OH) C22:1
SM 18:1;O2/22:1;O
ME153684
-
-
-
-
SM (OH) C22:2
SM 18:1;O2/22:2;O
ME153685
-
-
-
-
SM C22:3
SM 18:1;O2/22:3
ME153692
-
-
-
-
SM C24:0
SM 18:1;O2/24:0
ME153693
-
-
-
-
SM C24:1
SM 18:1;O2/24:1
ME153694
-
-
-
-
SM (OH) C24:1
SM 18:1;O2/24:1;O
ME153686
-
-
-
-
SM C26:0
SM 18:1;O2/26:0
ME153695
-
-
-
-
SM C26:1
SM 18:1;O2/26:1
ME153696
-
-
-
-
Spermidine
Spermidine
ME153587
-
-
-
-
Spermine
Spermine
ME153588
-
-
-
-
SDMA
Symmetric dimethylarginine
ME153585
-
-
-
-
Taurine
Taurine
ME153590
-
-
-
-
Thr
Threonine
ME153567
-
-
-
-
t4-OH-Pro
trans-4-Hydroxyproline
ME153589
-
-
-
-
Trp
Tryptophan
ME153568
-
-
-
-
Tyr
Tyrosine
ME153569
-
-
-
-
Val
Valine
ME153570
-
-
-
-
Analysis: Reversed phase-2 POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Ala
Alanine
ME153738
-
-
-
-
alpha-AAA
Aminoadipic acid
ME153761
-
-
-
-
Arg
Arginine
ME153739
-
-
-
-
Asn
Asparagine
ME153740
-
-
-
-
Asp
Aspartic acid
ME153741
-
-
-
-
C10
CAR 10:0
ME153699
-
-
-
-
C10:1
CAR 10:1
ME153700
-
-
-
-
C10:2
CAR 10:2
ME153701
-
-
-
-
C12
CAR 12:0
ME153702
-
-
-
-
C12:1
CAR 12:1
ME153704
-
-
-
-
C14
CAR 14:0
ME153705
-
-
-
-
C14:1
CAR 14:1
ME153706
-
-
-
-
C14:1-OH
CAR 14:1;OH
ME153707
-
-
-
-
C14:2
CAR 14:2
ME153708
-
-
-
-
C14:2-OH
CAR 14:2;OH
ME153709
-
-
-
-
C16
CAR 16:0
ME153710
-
-
-
-
C16-OH
CAR 16:0;OH
ME153711
-
-
-
-
C16:1
CAR 16:1
ME153712
-
-
-
-
C16:1-OH
CAR 16:1;OH
ME153713
-
-
-
-
C16:2
CAR 16:2
ME153714
-
-
-
-
C16:2-OH
CAR 16:2;OH
ME153715
-
-
-
-
C18
CAR 18:0
ME153716
-
-
-
-
C18:1
CAR 18:1
ME153717
-
-
-
-
C18:1-OH
CAR 18:1;OH
ME153718
-
-
-
-
C18:2
CAR 18:2
ME153719
-
-
-
-
C2
CAR 2:0
ME153720
-
-
-
-
C3
CAR 3:0
ME153721
-
-
-
-
C3-OH
CAR 3:0;OH
ME153723
-
-
-
-
C3:1
CAR 3:1
ME153724
-
-
-
-
C4
CAR 4:0
ME153725
-
-
-
-
C4:1
CAR 4:1
ME153726
-
-
-
-
C5
CAR 5:0
ME153728
-
-
-
-
C5-OH (C3-DC-M)
CAR 5:0;OH
ME153730
-
-
-
-
C5:1
CAR 5:1
ME153731
-
-
-
-
C6 (C4:1-DC)
CAR 6:0
ME153727
-
-
-
-
C6:1
CAR 6:1
ME153734
-
-
-
-
C8
CAR 8:0
ME153736
-
-
-
-
C9
CAR 9:0
ME153737
-
-
-
-
C12-DC
CAR DC12:0
ME153703
-
-
-
-
C3-DC (C4-OH)
CAR DC3:0
ME153722
-
-
-
-
C5-DC (C6-OH)
CAR DC5:0
ME153733
-
-
-
-
C5-M-DC
CAR DC5:0;3Me
ME153729
-
-
-
-
C5:1-DC
CAR DC5:1
ME153732
-
-
-
-
C7-DC
CAR DC7:0
ME153735
-
-
-
-
C0
Carnitine
ME153698
-
-
-
-
Carnosine
Carnosine
ME153763
-
-
-
-
c4-OH-Pro
cis-4-Hydroxyproline
ME153762
-
-
-
-
Cit
Citric acid
ME153742
-
-
-
-
Creatinine
Creatinine
ME153764
-
-
-
-
ADMA
Dimethylarginine
ME153760
-
-
-
-
total DMA
Dimethylarginine
ME153779
-
-
-
-
DOPA
DOPA
ME153765
-
-
-
-
Dopamine
Dopamine
ME153766
-
-
-
-
Glu
Glutamic acid
ME153744
-
-
-
-
Gln
Glutamine
ME153743
-
-
-
-
Gly
Glycine
ME153745
-
-
-
-
H1
Hexose
ME153885
-
-
-
-
Histamine
Histamine
ME153767
-
-
-
-
His
Histidine
ME153746
-
-
-
-
Ile
Isoleucine
ME153747
-
-
-
-
Kynurenine
Kynurenine
ME153768
-
-
-
-
Leu
Leucine
ME153748
-
-
-
-
lysoPC a C14:0
LPC 14:0
ME153780
-
-
-
-
lysoPC a C16:0
LPC 16:0
ME153781
-
-
-
-
lysoPC a C16:1
LPC 16:1
ME153782
-
-
-
-
lysoPC a C17:0
LPC 17:0
ME153783
-
-
-
-
lysoPC a C18:0
LPC 18:0
ME153784
-
-
-
-
lysoPC a C18:1
LPC 18:1
ME153785
-
-
-
-
lysoPC a C18:2
LPC 18:2
ME153786
-
-
-
-
lysoPC a C20:3
LPC 20:3
ME153787
-
-
-
-
lysoPC a C20:4
LPC 20:4
ME153788
-
-
-
-
lysoPC a C24:0
LPC 24:0
ME153789
-
-
-
-
lysoPC a C26:0
LPC 26:0
ME153790
-
-
-
-
lysoPC a C26:1
LPC 26:1
ME153791
-
-
-
-
lysoPC a C28:0
LPC 28:0
ME153792
-
-
-
-
lysoPC a C28:1
LPC 28:1
ME153793
-
-
-
-
Lys
Lysine
ME153749
-
-
-
-
Met
Methionine
ME153750
-
-
-
-
Met-SO
Methionine sulfoxide
ME153769
-
-
-
-
Ac-Orn
N-Acetylornithine
ME153759
-
-
-
-
Nitro-Tyr
Nitrotyrosine
ME153770
-
-
-
-
Orn
Ornithine
ME153751
-
-
-
-
PEA
Palmitoyl-EA
ME153771
-
-
-
-
PC aa C24:0
PC 24:0
ME153794
-
-
-
-
PC aa C26:0
PC 26:0
ME153795
-
-
-
-
PC aa C28:1
PC 28:1
ME153796
-
-
-
-
PC aa C30:0
PC 30:0
ME153797
-
-
-
-
PC aa C30:2
PC 30:2
ME153798
-
-
-
-
PC aa C32:0
PC 32:0
ME153799
-
-
-
-
PC aa C32:1
PC 32:1
ME153800
-
-
-
-
PC aa C32:2
PC 32:2
ME153801
-
-
-
-
PC aa C32:3
PC 32:3
ME153802
-
-
-
-
PC aa C34:1
PC 34:1
ME153803
-
-
-
-
PC aa C34:2
PC 34:2
ME153804
-
-
-
-
PC aa C34:3
PC 34:3
ME153805
-
-
-
-
PC aa C34:4
PC 34:4
ME153806
-
-
-
-
PC aa C36:0
PC 36:0
ME153807
-
-
-
-
PC aa C36:1
PC 36:1
ME153808
-
-
-
-
PC aa C36:2
PC 36:2
ME153809
-
-
-
-
PC aa C36:3
PC 36:3
ME153810
-
-
-
-
PC aa C36:4
PC 36:4
ME153811
-
-
-
-
PC aa C36:5
PC 36:5
ME153812
-
-
-
-
PC aa C36:6
PC 36:6
ME153813
-
-
-
-
PC aa C38:0
PC 38:0
ME153814
-
-
-
-
PC aa C38:1
PC 38:1
ME153815
-
-
-
-
PC aa C38:3
PC 38:3
ME153816
-
-
-
-
PC aa C38:4
PC 38:4
ME153817
-
-
-
-
PC aa C38:5
PC 38:5
ME153818
-
-
-
-
PC aa C38:6
PC 38:6
ME153819
-
-
-
-
PC aa C40:1
PC 40:1
ME153820
-
-
-
-
PC aa C40:2
PC 40:2
ME153821
-
-
-
-
PC aa C40:3
PC 40:3
ME153822
-
-
-
-
PC aa C40:4
PC 40:4
ME153823
-
-
-
-
PC aa C40:5
PC 40:5
ME153824
-
-
-
-
PC aa C40:6
PC 40:6
ME153825
-
-
-
-
PC aa C42:0
PC 42:0
ME153826
-
-
-
-
PC aa C42:1
PC 42:1
ME153827
-
-
-
-
PC aa C42:2
PC 42:2
ME153828
-
-
-
-
PC aa C42:4
PC 42:4
ME153829
-
-
-
-
PC aa C42:5
PC 42:5
ME153830
-
-
-
-
PC aa C42:6
PC 42:6
ME153831
-
-
-
-
PC ae C30:0
PC O-30:0
ME153832
-
-
-
-
PC ae C30:1
PC O-30:1
ME153833
-
-
-
-
PC ae C30:2
PC O-30:2
ME153834
-
-
-
-
PC ae C32:1
PC O-32:1
ME153835
-
-
-
-
PC ae C32:2
PC O-32:2
ME153836
-
-
-
-
PC ae C34:0
PC O-34:0
ME153837
-
-
-
-
PC ae C34:1
PC O-34:1
ME153838
-
-
-
-
PC ae C34:2
PC O-34:2
ME153839
-
-
-
-
PC ae C34:3
PC O-34:3
ME153840
-
-
-
-
PC ae C36:0
PC O-36:0
ME153841
-
-
-
-
PC ae C36:1
PC O-36:1
ME153842
-
-
-
-
PC ae C36:2
PC O-36:2
ME153843
-
-
-
-
PC ae C36:3
PC O-36:3
ME153844
-
-
-
-
PC ae C36:4
PC O-36:4
ME153845
-
-
-
-
PC ae C36:5
PC O-36:5
ME153846
-
-
-
-
PC ae C38:0
PC O-38:0
ME153847
-
-
-
-
PC ae C38:1
PC O-38:1
ME153848
-
-
-
-
PC ae C38:2
PC O-38:2
ME153849
-
-
-
-
PC ae C38:3
PC O-38:3
ME153850
-
-
-
-
PC ae C38:4
PC O-38:4
ME153851
-
-
-
-
PC ae C38:5
PC O-38:5
ME153852
-
-
-
-
PC ae C38:6
PC O-38:6
ME153853
-
-
-
-
PC ae C40:1
PC O-40:1
ME153854
-
-
-
-
PC ae C40:2
PC O-40:2
ME153855
-
-
-
-
PC ae C40:3
PC O-40:3
ME153856
-
-
-
-
PC ae C40:4
PC O-40:4
ME153857
-
-
-
-
PC ae C40:5
PC O-40:5
ME153858
-
-
-
-
PC ae C40:6
PC O-40:6
ME153859
-
-
-
-
PC ae C42:0
PC O-42:0
ME153860
-
-
-
-
PC ae C42:1
PC O-42:1
ME153861
-
-
-
-
PC ae C42:2
PC O-42:2
ME153862
-
-
-
-
PC ae C42:3
PC O-42:3
ME153863
-
-
-
-
PC ae C42:4
PC O-42:4
ME153864
-
-
-
-
PC ae C42:5
PC O-42:5
ME153865
-
-
-
-
PC ae C44:3
PC O-44:3
ME153866
-
-
-
-
PC ae C44:4
PC O-44:4
ME153867
-
-
-
-
PC ae C44:5
PC O-44:5
ME153868
-
-
-
-
PC ae C44:6
PC O-44:6
ME153869
-
-
-
-
Phe
Phenylalanine
ME153752
-
-
-
-
Pro
Proline
ME153753
-
-
-
-
Putrescine
Putrescine
ME153772
-
-
-
-
Ser
Serine
ME153754
-
-
-
-
Serotonin
Serotonin
ME153774
-
-
-
-
SM (OH) C14:1
SM 18:1;O2/14:1;O
ME153870
-
-
-
-
SM C16:0
SM 18:1;O2/16:0
ME153875
-
-
-
-
SM C16:1
SM 18:1;O2/16:1
ME153876
-
-
-
-
SM (OH) C16:1
SM 18:1;O2/16:1;O
ME153871
-
-
-
-
SM C18:0
SM 18:1;O2/18:0
ME153877
-
-
-
-
SM C18:1
SM 18:1;O2/18:1
ME153878
-
-
-
-
SM C20:2
SM 18:1;O2/20:2
ME153879
-
-
-
-
SM (OH) C22:1
SM 18:1;O2/22:1;O
ME153872
-
-
-
-
SM (OH) C22:2
SM 18:1;O2/22:2;O
ME153873
-
-
-
-
SM C22:3
SM 18:1;O2/22:3
ME153880
-
-
-
-
SM C24:0
SM 18:1;O2/24:0
ME153881
-
-
-
-
SM C24:1
SM 18:1;O2/24:1
ME153882
-
-
-
-
SM (OH) C24:1
SM 18:1;O2/24:1;O
ME153874
-
-
-
-
SM C26:0
SM 18:1;O2/26:0
ME153883
-
-
-
-
SM C26:1
SM 18:1;O2/26:1
ME153884
-
-
-
-
Spermidine
Spermidine
ME153775
-
-
-
-
Spermine
Spermine
ME153776
-
-
-
-
SDMA
Symmetric dimethylarginine
ME153773
-
-
-
-
Taurine
Taurine
ME153778
-
-
-
-
Thr
Threonine
ME153755
-
-
-
-
t4-OH-Pro
trans-4-Hydroxyproline
ME153777
-
-
-
-
Trp
Tryptophan
ME153756
-
-
-
-
Tyr
Tyrosine
ME153757
-
-
-
-
Val
Valine
ME153758
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Ala
Alanine
ME153926
-
-
-
-
alpha-AAA
Aminoadipic acid
ME153949
-
-
-
-
Arg
Arginine
ME153927
-
-
-
-
Asn
Asparagine
ME153928
-
-
-
-
Asp
Aspartic acid
ME153929
-
-
-
-
C10
CAR 10:0
ME153887
-
-
-
-
C10:1
CAR 10:1
ME153888
-
-
-
-
C10:2
CAR 10:2
ME153889
-
-
-
-
C12
CAR 12:0
ME153890
-
-
-
-
C12:1
CAR 12:1
ME153892
-
-
-
-
C14
CAR 14:0
ME153893
-
-
-
-
C14:1
CAR 14:1
ME153894
-
-
-
-
C14:1-OH
CAR 14:1;OH
ME153895
-
-
-
-
C14:2
CAR 14:2
ME153896
-
-
-
-
C14:2-OH
CAR 14:2;OH
ME153897
-
-
-
-
C16
CAR 16:0
ME153898
-
-
-
-
C16-OH
CAR 16:0;OH
ME153899
-
-
-
-
C16:1
CAR 16:1
ME153900
-
-
-
-
C16:1-OH
CAR 16:1;OH
ME153901
-
-
-
-
C16:2
CAR 16:2
ME153902
-
-
-
-
C16:2-OH
CAR 16:2;OH
ME153903
-
-
-
-
C18
CAR 18:0
ME153904
-
-
-
-
C18:1
CAR 18:1
ME153905
-
-
-
-
C18:1-OH
CAR 18:1;OH
ME153906
-
-
-
-
C18:2
CAR 18:2
ME153907
-
-
-
-
C2
CAR 2:0
ME153908
-
-
-
-
C3
CAR 3:0
ME153909
-
-
-
-
C3-OH
CAR 3:0;OH
ME153911
-
-
-
-
C3:1
CAR 3:1
ME153912
-
-
-
-
C4
CAR 4:0
ME153913
-
-
-
-
C4:1
CAR 4:1
ME153914
-
-
-
-
C5
CAR 5:0
ME153916
-
-
-
-
C5-OH (C3-DC-M)
CAR 5:0;OH
ME153918
-
-
-
-
C5:1
CAR 5:1
ME153919
-
-
-
-
C6 (C4:1-DC)
CAR 6:0
ME153915
-
-
-
-
C6:1
CAR 6:1
ME153922
-
-
-
-
C8
CAR 8:0
ME153924
-
-
-
-
C9
CAR 9:0
ME153925
-
-
-
-
C12-DC
CAR DC12:0
ME153891
-
-
-
-
C3-DC (C4-OH)
CAR DC3:0
ME153910
-
-
-
-
C5-DC (C6-OH)
CAR DC5:0
ME153921
-
-
-
-
C5-M-DC
CAR DC5:0;3Me
ME153917
-
-
-
-
C5:1-DC
CAR DC5:1
ME153920
-
-
-
-
C7-DC
CAR DC7:0
ME153923
-
-
-
-
C0
Carnitine
ME153886
-
-
-
-
Carnosine
Carnosine
ME153951
-
-
-
-
c4-OH-Pro
cis-4-Hydroxyproline
ME153950
-
-
-
-
Cit
Citric acid
ME153930
-
-
-
-
Creatinine
Creatinine
ME153952
-
-
-
-
ADMA
Dimethylarginine
ME153948
-
-
-
-
total DMA
Dimethylarginine
ME153967
-
-
-
-
DOPA
DOPA
ME153953
-
-
-
-
Dopamine
Dopamine
ME153954
-
-
-
-
Glu
Glutamic acid
ME153932
-
-
-
-
Gln
Glutamine
ME153931
-
-
-
-
Gly
Glycine
ME153933
-
-
-
-
H1
Hexose
ME154073
-
-
-
-
Histamine
Histamine
ME153955
-
-
-
-
His
Histidine
ME153934
-
-
-
-
Ile
Isoleucine
ME153935
-
-
-
-
Kynurenine
Kynurenine
ME153956
-
-
-
-
Leu
Leucine
ME153936
-
-
-
-
lysoPC a C14:0
LPC 14:0
ME153968
-
-
-
-
lysoPC a C16:0
LPC 16:0
ME153969
-
-
-
-
lysoPC a C16:1
LPC 16:1
ME153970
-
-
-
-
lysoPC a C17:0
LPC 17:0
ME153971
-
-
-
-
lysoPC a C18:0
LPC 18:0
ME153972
-
-
-
-
lysoPC a C18:1
LPC 18:1
ME153973
-
-
-
-
lysoPC a C18:2
LPC 18:2
ME153974
-
-
-
-
lysoPC a C20:3
LPC 20:3
ME153975
-
-
-
-
lysoPC a C20:4
LPC 20:4
ME153976
-
-
-
-
lysoPC a C24:0
LPC 24:0
ME153977
-
-
-
-
lysoPC a C26:0
LPC 26:0
ME153978
-
-
-
-
lysoPC a C26:1
LPC 26:1
ME153979
-
-
-
-
lysoPC a C28:0
LPC 28:0
ME153980
-
-
-
-
lysoPC a C28:1
LPC 28:1
ME153981
-
-
-
-
Lys
Lysine
ME153937
-
-
-
-
Met
Methionine
ME153938
-
-
-
-
Met-SO
Methionine sulfoxide
ME153957
-
-
-
-
Ac-Orn
N-Acetylornithine
ME153947
-
-
-
-
Nitro-Tyr
Nitrotyrosine
ME153958
-
-
-
-
Orn
Ornithine
ME153939
-
-
-
-
PEA
Palmitoyl-EA
ME153959
-
-
-
-
PC aa C24:0
PC 24:0
ME153982
-
-
-
-
PC aa C26:0
PC 26:0
ME153983
-
-
-
-
PC aa C28:1
PC 28:1
ME153984
-
-
-
-
PC aa C30:0
PC 30:0
ME153985
-
-
-
-
PC aa C30:2
PC 30:2
ME153986
-
-
-
-
PC aa C32:0
PC 32:0
ME153987
-
-
-
-
PC aa C32:1
PC 32:1
ME153988
-
-
-
-
PC aa C32:2
PC 32:2
ME153989
-
-
-
-
PC aa C32:3
PC 32:3
ME153990
-
-
-
-
PC aa C34:1
PC 34:1
ME153991
-
-
-
-
PC aa C34:2
PC 34:2
ME153992
-
-
-
-
PC aa C34:3
PC 34:3
ME153993
-
-
-
-
PC aa C34:4
PC 34:4
ME153994
-
-
-
-
PC aa C36:0
PC 36:0
ME153995
-
-
-
-
PC aa C36:1
PC 36:1
ME153996
-
-
-
-
PC aa C36:2
PC 36:2
ME153997
-
-
-
-
PC aa C36:3
PC 36:3
ME153998
-
-
-
-
PC aa C36:4
PC 36:4
ME153999
-
-
-
-
PC aa C36:5
PC 36:5
ME154000
-
-
-
-
PC aa C36:6
PC 36:6
ME154001
-
-
-
-
PC aa C38:0
PC 38:0
ME154002
-
-
-
-
PC aa C38:1
PC 38:1
ME154003
-
-
-
-
PC aa C38:3
PC 38:3
ME154004
-
-
-
-
PC aa C38:4
PC 38:4
ME154005
-
-
-
-
PC aa C38:5
PC 38:5
ME154006
-
-
-
-
PC aa C38:6
PC 38:6
ME154007
-
-
-
-
PC aa C40:1
PC 40:1
ME154008
-
-
-
-
PC aa C40:2
PC 40:2
ME154009
-
-
-
-
PC aa C40:3
PC 40:3
ME154010
-
-
-
-
PC aa C40:4
PC 40:4
ME154011
-
-
-
-
PC aa C40:5
PC 40:5
ME154012
-
-
-
-
PC aa C40:6
PC 40:6
ME154013
-
-
-
-
PC aa C42:0
PC 42:0
ME154014
-
-
-
-
PC aa C42:1
PC 42:1
ME154015
-
-
-
-
PC aa C42:2
PC 42:2
ME154016
-
-
-
-
PC aa C42:4
PC 42:4
ME154017
-
-
-
-
PC aa C42:5
PC 42:5
ME154018
-
-
-
-
PC aa C42:6
PC 42:6
ME154019
-
-
-
-
PC ae C30:0
PC O-30:0
ME154020
-
-
-
-
PC ae C30:1
PC O-30:1
ME154021
-
-
-
-
PC ae C30:2
PC O-30:2
ME154022
-
-
-
-
PC ae C32:1
PC O-32:1
ME154023
-
-
-
-
PC ae C32:2
PC O-32:2
ME154024
-
-
-
-
PC ae C34:0
PC O-34:0
ME154025
-
-
-
-
PC ae C34:1
PC O-34:1
ME154026
-
-
-
-
PC ae C34:2
PC O-34:2
ME154027
-
-
-
-
PC ae C34:3
PC O-34:3
ME154028
-
-
-
-
PC ae C36:0
PC O-36:0
ME154029
-
-
-
-
PC ae C36:1
PC O-36:1
ME154030
-
-
-
-
PC ae C36:2
PC O-36:2
ME154031
-
-
-
-
PC ae C36:3
PC O-36:3
ME154032
-
-
-
-
PC ae C36:4
PC O-36:4
ME154033
-
-
-
-
PC ae C36:5
PC O-36:5
ME154034
-
-
-
-
PC ae C38:0
PC O-38:0
ME154035
-
-
-
-
PC ae C38:1
PC O-38:1
ME154036
-
-
-
-
PC ae C38:2
PC O-38:2
ME154037
-
-
-
-
PC ae C38:3
PC O-38:3
ME154038
-
-
-
-
PC ae C38:4
PC O-38:4
ME154039
-
-
-
-
PC ae C38:5
PC O-38:5
ME154040
-
-
-
-
PC ae C38:6
PC O-38:6
ME154041
-
-
-
-
PC ae C40:1
PC O-40:1
ME154042
-
-
-
-
PC ae C40:2
PC O-40:2
ME154043
-
-
-
-
PC ae C40:3
PC O-40:3
ME154044
-
-
-
-
PC ae C40:4
PC O-40:4
ME154045
-
-
-
-
PC ae C40:5
PC O-40:5
ME154046
-
-
-
-
PC ae C40:6
PC O-40:6
ME154047
-
-
-
-
PC ae C42:0
PC O-42:0
ME154048
-
-
-
-
PC ae C42:1
PC O-42:1
ME154049
-
-
-
-
PC ae C42:2
PC O-42:2
ME154050
-
-
-
-
PC ae C42:3
PC O-42:3
ME154051
-
-
-
-
PC ae C42:4
PC O-42:4
ME154052
-
-
-
-
PC ae C42:5
PC O-42:5
ME154053
-
-
-
-
PC ae C44:3
PC O-44:3
ME154054
-
-
-
-
PC ae C44:4
PC O-44:4
ME154055
-
-
-
-
PC ae C44:5
PC O-44:5
ME154056
-
-
-
-
PC ae C44:6
PC O-44:6
ME154057
-
-
-
-
Phe
Phenylalanine
ME153940
-
-
-
-
Pro
Proline
ME153941
-
-
-
-
Putrescine
Putrescine
ME153960
-
-
-
-
Ser
Serine
ME153942
-
-
-
-
Serotonin
Serotonin
ME153962
-
-
-
-
SM (OH) C14:1
SM 18:1;O2/14:1;O
ME154058
-
-
-
-
SM C16:0
SM 18:1;O2/16:0
ME154063
-
-
-
-
SM C16:1
SM 18:1;O2/16:1
ME154064
-
-
-
-
SM (OH) C16:1
SM 18:1;O2/16:1;O
ME154059
-
-
-
-
SM C18:0
SM 18:1;O2/18:0
ME154065
-
-
-
-
SM C18:1
SM 18:1;O2/18:1
ME154066
-
-
-
-
SM C20:2
SM 18:1;O2/20:2
ME154067
-
-
-
-
SM (OH) C22:1
SM 18:1;O2/22:1;O
ME154060
-
-
-
-
SM (OH) C22:2
SM 18:1;O2/22:2;O
ME154061
-
-
-
-
SM C22:3
SM 18:1;O2/22:3
ME154068
-
-
-
-
SM C24:0
SM 18:1;O2/24:0
ME154069
-
-
-
-
SM C24:1
SM 18:1;O2/24:1
ME154070
-
-
-
-
SM (OH) C24:1
SM 18:1;O2/24:1;O
ME154062
-
-
-
-
SM C26:0
SM 18:1;O2/26:0
ME154071
-
-
-
-
SM C26:1
SM 18:1;O2/26:1
ME154072
-
-
-
-
Spermidine
Spermidine
ME153963
-
-
-
-
Spermine
Spermine
ME153964
-
-
-
-
SDMA
Symmetric dimethylarginine
ME153961
-
-
-
-
Taurine
Taurine
ME153966
-
-
-
-
Thr
Threonine
ME153943
-
-
-
-
t4-OH-Pro
trans-4-Hydroxyproline
ME153965
-
-
-
-
Trp
Tryptophan
ME153944
-
-
-
-
Tyr
Tyrosine
ME153945
-
-
-
-
Val
Valine
ME153946
-
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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