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Return to study ST003084 main page
Analysis: HILIC POSITIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
"1,4-Dimethylimidazole"
-
ME801790
-
-
-
-
1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine
LPC 16:1(9Z)/0:0
ME801793
-
-
-
-
(.+/-.)-1-Amino-2-propanol
-
ME801787
-
-
-
-
"1-(beta-D-Ribofuranosyl)-1,3,4,7-tetrahydro-2H-1,...
-
ME801791
-
-
-
-
1-Methylguanine
1-Methylguanine
ME801795
-
-
-
-
1-METHYL-L-HISTIDINE
1-Methylhistidine
ME801794
-
-
-
-
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolam...
PE 16:0/18:1
ME801796
-
-
-
-
1-(sn-glycero-3-phospho)-1D-myo-inositol
sn-Glycero-3-phosphoinositol
ME801792
-
-
-
-
2-[(2Z)-2-({4-[(3-Aminopropyl)amino]butyl}imino)-2...
-
ME801804
-
-
-
-
2-[(2Z)-2-({4-[(3-Aminopropyl)amino]butyl}imino)-2...
-
ME801805
-
-
-
-
"2,3,6-Pyridinetriol"
-
ME801797
-
-
-
-
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyran...
-
ME801798
-
-
-
-
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyran...
-
ME801799
-
-
-
-
"2,4-Diamino-6-nitrotoluene (1)"
-
ME801800
-
-
-
-
"2,4-Diamino-6-nitrotoluene (2)"
-
ME801801
-
-
-
-
"2,6-Diamino-4-methyleneheptanedioic acid"
-
ME801802
-
-
-
-
"2,6-Diamino-7-hydroxynonanedioic acid"
-
ME801803
-
-
-
-
2-Amino-4-methylpyrimidine
2-Amino-4-methylpyrimidine
ME801806
-
-
-
-
2-formylphenylformamide
-
ME801807
-
-
-
-
2-Hydroxycinnamic acid
trans-o-Coumaric acid
ME801808
-
-
-
-
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2...
-
ME801788
-
-
-
-
(2S)-2-Amino-8-hydroxyoctanoic acid
-
ME801789
-
-
-
-
"3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine...
-
ME801809
-
-
-
-
3-Buten-1-amine
3-Buten-1-amine
ME801810
-
-
-
-
3-METHYL-L-HISTIDINE
3-Methylhistidine
ME801811
-
-
-
-
3-Morpholinopropanal
-
ME801812
-
-
-
-
3-Thiomorpholinecarboxylic acid
Thiomorpholine-3-carboxylic acid
ME801813
-
-
-
-
3-ureidopropionate
Ureidopropionic acid
ME801814
-
-
-
-
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME801816
-
-
-
-
4-Hydroxyphenylacetylglycine
Hydroxyphenylacetylglycine
ME801817
-
-
-
-
4-Imidazolemethanol
-
ME801818
-
-
-
-
4-Methyleneglutamine
4-Methylene-glutamine
ME801819
-
-
-
-
4-(Methylthio)-2-oxobutyric acid
-
ME801815
-
-
-
-
5-Acetamidopentanoic acid (1)
5-Acetamidovaleric acid
ME801820
-
-
-
-
5-Acetamidopentanoic acid (2)
5-Acetamidovaleric acid
ME801821
-
-
-
-
5-Hydroxyindole-3-acetic acid
5-Hydroxyindoleacetic acid
ME801822
-
-
-
-
5-Methylcytidine
5-Methylcytidine
ME801823
-
-
-
-
6-Methylnicotinamide
6-Methylnicotinamide
ME801824
-
-
-
-
Acetylarginine
N-Acetylarginine
ME801825
-
-
-
-
acetylaspartate
N-Acetylaspartic acid
ME801826
-
-
-
-
acetylcarnitine
CAR 2:0
ME801827
-
-
-
-
Acetylcarnitine
CAR 2:0
ME801828
-
-
-
-
afegostat
Afegostat
ME801829
-
-
-
-
Ala-Leu (1)
Ala-Leu
ME801830
-
-
-
-
Ala-Leu (2)
Ala-Leu
ME801831
-
-
-
-
alanine
Alanine
ME801832
-
-
-
-
alpha-Ketoglutaric acid
2-Oxoglutaric acid
ME801833
-
-
-
-
anthopleurine
-
ME801834
-
-
-
-
apronalide
-
ME801835
-
-
-
-
arginine
Arginine
ME801836
-
-
-
-
argininosuccinate
Argininosuccinic acid
ME801837
-
-
-
-
Argininosuccinic acid
Argininosuccinic acid
ME801838
-
-
-
-
asparagine
Asparagine
ME801839
-
-
-
-
Aspartame
Aspartame
ME801840
-
-
-
-
asymmetric dimethylarginine (ADMA)
Dimethylarginine
ME801841
-
-
-
-
b-Ala-Lys
-
ME801842
-
-
-
-
Benzoxazolone
2-Benzoxazolol
ME801843
-
-
-
-
Benzyl butyl phthalate
Benzyl butyl phthalate
ME801844
-
-
-
-
betaine
Betaine
ME801845
-
-
-
-
biotin
Biotin
ME801846
-
-
-
-
Butobarbital
-
ME801847
-
-
-
-
Butyrylcarnitine
CAR 4:0
ME801848
-
-
-
-
C10 H18 N2 O4
-
ME801670
-
-
-
-
C10 H18 N4 O6 S2
-
ME801717
-
-
-
-
C10 H19 N3 O5
-
ME801696
-
-
-
-
C10 H20 N2 O3
-
ME801642
-
-
-
-
C10 H21 N8 O P3 S
-
ME801746
-
-
-
-
C10 H24 N9 O5 P
-
ME801700
-
-
-
-
C10 H27 N9 P2
-
ME801715
-
-
-
-
C10 H28 N5 O11 P (1)
-
ME801649
-
-
-
-
C10 H28 N5 O11 P (2)
-
ME801723
-
-
-
-
C10 H29 N7 O9 P2
-
ME801684
-
-
-
-
C11 H10 N3 O3 P
-
ME801754
-
-
-
-
C11 H15 Cl N P3
-
ME801691
-
-
-
-
C11 H21 N O5
-
ME801635
-
-
-
-
C11 H21 N O7
-
ME801648
-
-
-
-
C11 H30 N5 O12 P
-
ME801725
-
-
-
-
C11 H4 N4 O5 S
-
ME801752
-
-
-
-
C12 H11 N5 S4
-
ME801716
-
-
-
-
C12 H13 N O7
-
ME801695
-
-
-
-
C12 H15 N4 O8 P S
-
ME801778
-
-
-
-
C12 H22 N O3 P S
-
ME801641
-
-
-
-
C12 H23 N3 O5
-
ME801690
-
-
-
-
C12 H23 N O5
-
ME801660
-
-
-
-
C12 H28 N4 O4
-
ME801676
-
-
-
-
C12 H28 N8 O4
-
ME801634
-
-
-
-
C12 H29 N3 O6 S
-
ME801743
-
-
-
-
C12 H29 N6 O6 P
-
ME801668
-
-
-
-
C12 H30 N8 O10
-
ME801692
-
-
-
-
C13 H17 N3 O7
-
ME801713
-
-
-
-
C13 H19 N3 O8
-
ME801699
-
-
-
-
C13 H21 N3 O8
-
ME801750
-
-
-
-
C13 H21 N3 O9
-
ME801679
-
-
-
-
C13 H24 N4 O6
-
ME801653
-
-
-
-
C13 H25 N2 O2 P S
-
ME801718
-
-
-
-
C13 H26 N8 O4 S2
-
ME801710
-
-
-
-
C13 H30 N2 O S3
-
ME801687
-
-
-
-
C14 H18 N9 P S
-
ME801772
-
-
-
-
C14 H23 N3 O5
-
ME801765
-
-
-
-
C14 H28 N2 O6
-
ME801636
-
-
-
-
C14 H31 N7 O11 S
-
ME801650
-
-
-
-
C14 H32 N O3 P S2
-
ME801720
-
-
-
-
C14 H33 N3 O6 S
-
ME801654
-
-
-
-
C14 H33 N5 O6 S
-
ME801701
-
-
-
-
C15 H20 N P S
-
ME801667
-
-
-
-
C15 H23 N4 O P S
-
ME801669
-
-
-
-
C15 H23 N5 O8
-
ME801659
-
-
-
-
C15 H31 N8 P3
-
ME801741
-
-
-
-
C15 H32 N2 O12
-
ME801737
-
-
-
-
C15 H32 N2 O2
-
ME801697
-
-
-
-
C15 H35 N3 O7 S
-
ME801758
-
-
-
-
C16 H16 N4 O7 S4
-
ME801763
-
-
-
-
C16 H25 N2 O P S2
-
ME801751
-
-
-
-
C16 H30 N O P S
-
ME801698
-
-
-
-
C16 H31 N O S2
-
ME801726
-
-
-
-
C16 H33 N4 O2 P S2
-
ME801677
-
-
-
-
C17 H31 N3 O3
-
ME801665
-
-
-
-
C17 H35 N3 O7 P2 S
-
ME801638
-
-
-
-
C17 H42 N9 O P
-
ME801705
-
-
-
-
C18 H33 N O13
-
ME801632
-
-
-
-
C18 H40 N9 P
-
ME801744
-
-
-
-
C19 H34 N O P S
-
ME801768
-
-
-
-
C19 H34 O5 P2
-
ME801767
-
-
-
-
C19 H37 N2 P S
-
ME801781
-
-
-
-
C20 H30 N O7 P
-
ME801647
-
-
-
-
C20 H42 N8 O10
-
ME801731
-
-
-
-
C20 H47 N10 O2 P S
-
ME801759
-
-
-
-
C21 H16 Cl O2 P
-
ME801719
-
-
-
-
C21 H37 O14 P
-
ME801704
-
-
-
-
C21 H39 N O4
-
ME801745
-
-
-
-
C22 H33 N O5 P2
-
ME801681
-
-
-
-
C22 H38 Cl N6 O10 P S5
-
ME801761
-
-
-
-
C22 H41 N O
-
ME801707
-
-
-
-
C22 H41 N O2
-
ME801728
-
-
-
-
C22 H43 N O2
-
ME801764
-
-
-
-
C22 H45 N5 O7 P2
-
ME801721
-
-
-
-
C22 H46 N O8 P
-
ME801693
-
-
-
-
C22 H54 N10 O5 P2 S
-
ME801769
-
-
-
-
C23 H19 N7 O
-
ME801678
-
-
-
-
C23 H47 N7 O5
-
ME801740
-
-
-
-
C24 H44 N7 P S2
-
ME801755
-
-
-
-
C24 H50 N2 O
-
ME801774
-
-
-
-
C25 H47 N O6
-
ME801753
-
-
-
-
C25 H52 N O2 P
-
ME801666
-
-
-
-
C26 H23 N5 O4 S
-
ME801664
-
-
-
-
C26 H29 N O5 S
-
ME801730
-
-
-
-
C26 H50 N7 O P S2
-
ME801776
-
-
-
-
C29 H59 N7 O8
-
ME801711
-
-
-
-
C29 H62 N5 O P3
-
ME801708
-
-
-
-
C31 H73 N9 O3 P2
-
ME801694
-
-
-
-
C32 H56 N3 P S
-
ME801714
-
-
-
-
C32 H68 N9 P
-
ME801771
-
-
-
-
C32 H75 N7 O P2
-
ME801775
-
-
-
-
C36 H68 Br N7
-
ME801712
-
-
-
-
C39 H83 N O13 P2
-
ME801783
-
-
-
-
C3 H11 N7 O10 S5
-
ME801773
-
-
-
-
C3 H2 N2 O3 P2
-
ME801722
-
-
-
-
C3 H7 Cl N2 O6
-
ME801760
-
-
-
-
C3 H9 N8 O6 P
-
ME801738
-
-
-
-
C40 H34 Cl N5 S2
-
ME801683
-
-
-
-
C42 H42 Cl2 N O6 P
-
ME801732
-
-
-
-
C42 H66 N O4 P
-
ME801644
-
-
-
-
C42 H78 N7 O6 P
-
ME801643
-
-
-
-
C42 H82 N7 O5 P
-
ME801780
-
-
-
-
C42 H85 N5 O7 P2
-
ME801637
-
-
-
-
C43 H71 N S
-
ME801756
-
-
-
-
C43 H91 N8 O4 P
-
ME801747
-
-
-
-
C44 H58 N2 O3
-
ME801651
-
-
-
-
C46 H65 N3 O3
-
ME801686
-
-
-
-
C4 H12 N9 O3 P S
-
ME801762
-
-
-
-
C4 H6 O2 S
-
ME801688
-
-
-
-
C4 H7 O9 P
-
ME801757
-
-
-
-
C4 H8 N4 O2 S
-
ME801733
-
-
-
-
C5 Carnitines
-
ME801849
-
-
-
-
C5 H12 Cl N O13
-
ME801779
-
-
-
-
C5 H15 N10 P S
-
ME801640
-
-
-
-
C5 H16 N7 O3 P
-
ME801680
-
-
-
-
C5 H17 Cl2 N9 S2
-
ME801675
-
-
-
-
C5 H20 N7 O2 P
-
ME801656
-
-
-
-
C5 H3 Cl N4 O3
-
ME801770
-
-
-
-
C5 H4 O4
-
ME801709
-
-
-
-
C6 H10 N2 O
-
ME801628
-
-
-
-
C6 H10 N2 O6
-
ME801736
-
-
-
-
C6 H11 N4 O3 P S
-
ME801645
-
-
-
-
C6 H11 N O7
-
ME801629
-
-
-
-
C6 H11 N O8 S
-
ME801734
-
-
-
-
C6 H15 N O6 (1)
-
ME801658
-
-
-
-
C6 H15 N O6 (2)
-
ME801729
-
-
-
-
C6 H16 N7 O2 P
-
ME801685
-
-
-
-
C6 H16 N9 O2 P (1)
-
ME801657
-
-
-
-
C6 H16 N9 O2 P (2)
-
ME801672
-
-
-
-
C6 H21 N8 O3 P S2
-
ME801655
-
-
-
-
C6 H2 O4
-
ME801682
-
-
-
-
C6 H3 N5 O14
-
ME801784
-
-
-
-
C6 H8 N3 O11 P
-
ME801782
-
-
-
-
C6 H9 N O4 S
-
ME801631
-
-
-
-
C7 H11 N7 O3
-
ME801630
-
-
-
-
C7 H12 N2 O
-
ME801661
-
-
-
-
C7 H14 N5 O11 P
-
ME801749
-
-
-
-
C7 H17 N9 O3 P2 S
-
ME801724
-
-
-
-
C7 H18 Cl N7 O11 S
-
ME801706
-
-
-
-
C7 H24 N10 O2 P2
-
ME801663
-
-
-
-
C8 H12 N2 O5 S
-
ME801652
-
-
-
-
C8 H14 N2 O8 S
-
ME801739
-
-
-
-
C8 H14 N6 O2
-
ME801633
-
-
-
-
C8 H16 Cl N2 O5 P
-
ME801689
-
-
-
-
C8 H16 Cl N6 O8 P
-
ME801748
-
-
-
-
C8 H19 Br Cl N9 O
-
ME801777
-
-
-
-
C8 H22 N9 O3 P
-
ME801702
-
-
-
-
C8 H23 N9 O2 P2
-
ME801742
-
-
-
-
C8 H4 N2 O10 P2 S2
-
ME801766
-
-
-
-
C9 H11 N O6 S
-
ME801735
-
-
-
-
C9 H14 N2 O2 S2
-
ME801674
-
-
-
-
C9 H15 N10 O P
-
ME801673
-
-
-
-
C9 H15 N3 O6
-
ME801646
-
-
-
-
C9 H19 N3 O2
-
ME801703
-
-
-
-
C9 H19 N5 S
-
ME801662
-
-
-
-
C9 H20 N2 O3
-
ME801727
-
-
-
-
C9 H22 Cl N4 O3 P
-
ME801639
-
-
-
-
C9 H26 N5 O8 P
-
ME801671
-
-
-
-
Caprolactam
Epsilon-caprolactam
ME801850
-
-
-
-
carnitine
Carnitine
ME801851
-
-
-
-
choline
Choline
ME801852
-
-
-
-
cis-aconitate
cis-Aconitic acid
ME801853
-
-
-
-
citrate
Citric acid
ME801854
-
-
-
-
citrulline
Citrulline
ME801855
-
-
-
-
coformycin
Coformycin
ME801856
-
-
-
-
Coumarin
Coumarin
ME801857
-
-
-
-
creatine
Creatine
ME801858
-
-
-
-
creatinine
Creatinine
ME801859
-
-
-
-
Creatinine degenerate
-
ME801860
-
-
-
-
"Cyclohexane-1,2-diaminetetraacetic acid"
-
ME801861
-
-
-
-
Cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME801862
-
-
-
-
cystine
Cystine
ME801863
-
-
-
-
cytidine
Cytidine
ME801864
-
-
-
-
cytosine (1)
Cytosine
ME801865
-
-
-
-
cytosine (2)
Cytosine
ME801866
-
-
-
-
Cytosine degenerate (RT = 4.142)
-
ME801867
-
-
-
-
Dehydrocycloguanandin
Dehydrocycloguanandin
ME801869
-
-
-
-
Dehydroglycine
Dehydroglycine
ME801870
-
-
-
-
delta-guanidinovaleric acid
DGVA
ME801871
-
-
-
-
DEOXYCARNITINE
3-Dehydroxycarnitine
ME801872
-
-
-
-
DEOXYCYTIDINE
Deoxycytidine
ME801873
-
-
-
-
dimethylformamide
-
ME801874
-
-
-
-
dimethylglicine
Dimethylglycine
ME801875
-
-
-
-
"DL-2,6-Diaminopimelic acid"
-
ME801876
-
-
-
-
DL-Stachydrine
Stachydrine
ME801877
-
-
-
-
D-lysopine
-
ME801868
-
-
-
-
epsilon-(gamma-Glutamyl)-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME801878
-
-
-
-
epsilon-(gamma-Glutamyl)-lysine (RT = 11.658)
Epsilon-(gamma-Glutamyl)-lysine
ME801879
-
-
-
-
Erucamide
13Z-Docosenamide
ME801880
-
-
-
-
fagomine
Fagomine
ME801881
-
-
-
-
Farampator
-
ME801882
-
-
-
-
Fasoracetam
Fasoracetam
ME801883
-
-
-
-
Formiminoglutamic Acid
Formiminoglutamic acid
ME801884
-
-
-
-
Formylisoglutamine
-
ME801885
-
-
-
-
Fructoselysine
Fructosyllysine
ME801886
-
-
-
-
gamma-Glu-gln
gamma-Glutamylglutamine
ME801887
-
-
-
-
gamma-glutamyltyramine
-
ME801888
-
-
-
-
(+)-gamma-Hydroxy-L-homoarginine
gamma-Hydroxy-homoarginine
ME801786
-
-
-
-
glutamine
Glutamine
ME801889
-
-
-
-
Glycerol 3-Phosphate
sn-Glycero-3-phosphate
ME801890
-
-
-
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME801891
-
-
-
-
GNK (1)
-
ME801892
-
-
-
-
GNK (2)
-
ME801893
-
-
-
-
Golotimod
-
ME801894
-
-
-
-
GSSG
Oxidized glutathione
ME801895
-
-
-
-
guanidinoacetate
Guanidoacetic acid
ME801896
-
-
-
-
GUANIDINOSUCCINATE
Guanidinosuccinic acid
ME801897
-
-
-
-
guanine
Guanine
ME801898
-
-
-
-
HC blue 2
HC Blue 2
ME801899
-
-
-
-
hercynine (RT = 6.761)
-
ME801900
-
-
-
-
hercynine (RT = 8.876)
-
ME801901
-
-
-
-
Heterodendrin
Heterodendrin
ME801902
-
-
-
-
Hexadecanamide
Palmitamide
ME801903
-
-
-
-
histidine
Histidine
ME801904
-
-
-
-
Histidine (tail)
-
ME801785
-
-
-
-
histidinol
L-Histidinol
ME801905
-
-
-
-
Hnv
-
ME801906
-
-
-
-
homocitrulline
Homocitrulline
ME801908
-
-
-
-
Homo-L-arginine
Homoarginine
ME801907
-
-
-
-
hydroxyproline/5-aminolevulinic acid
-
ME801909
-
-
-
-
hypoxanthine
Hypoxanthine
ME801910
-
-
-
-
isoleucine/leucine
Leucine/Isoleucine
ME801911
-
-
-
-
kynurenine
Kynurenine
ME801912
-
-
-
-
L-dihydroanticapsin
Dihydroanticapsin
ME801913
-
-
-
-
lentiginosine
Lentiginosine
ME801920
-
-
-
-
L-Ergothioneine
Ergothioneine
ME801914
-
-
-
-
L-Ethionine
L-Ethionine
ME801915
-
-
-
-
L-Glutamyl-L-alanine
Glu-Ala
ME801916
-
-
-
-
L-Hexanoylcarnitine
CAR 6:0
ME801917
-
-
-
-
L-Lysine lactam
-
ME801918
-
-
-
-
L-Prolinamide
Methionine (S)-S-oxide
ME801919
-
-
-
-
lysine
Lysine
ME801921
-
-
-
-
meprobamate
Meprobamate
ME801922
-
-
-
-
methionine
Methionine
ME801923
-
-
-
-
Methionine sulfoxide
Methionine sulfoxide
ME801924
-
-
-
-
Methohexital
Methohexital
ME801925
-
-
-
-
MFCD00036904
-
ME801926
-
-
-
-
MFCD00127891 (1)
-
ME801927
-
-
-
-
MFCD00127891 (2)
-
ME801928
-
-
-
-
MFCD00133435
-
ME801929
-
-
-
-
MFCD00135289
-
ME801930
-
-
-
-
Midodrine
Midodrine
ME801931
-
-
-
-
N~2~-(1-Carboxyethyl)-N~5~-(diaminomethylene)ornit...
-
ME801950
-
-
-
-
N~2~-Acetyl-L-ornithine
N-Acetylornithine
ME801951
-
-
-
-
N6-METHYLLYSINE (1)
N(6)-Methyllysine
ME801941
-
-
-
-
N6-METHYLLYSINE (2)
N(6)-Methyllysine
ME801942
-
-
-
-
N-Acetyl-1-aspartylglutamic acid
N-Acetyl-Asp-Glu
ME801934
-
-
-
-
N-Acetylleucylleucine
N-Acetyl-leucyl-leucine
ME801936
-
-
-
-
N-Acetyl-L-histidine
N-Acetylhistidine
ME801935
-
-
-
-
N-acetyllysine
N(2)-Acetyllysine
ME801937
-
-
-
-
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME801938
-
-
-
-
N-Benzylformamide
N-benzylformamide
ME801939
-
-
-
-
niacinamide
Niacinamide
ME801943
-
-
-
-
nicotianamine
(R,S,S)-Nicotianamine
ME801944
-
-
-
-
Nifedipine
Nifedipine
ME801945
-
-
-
-
nitrilotriacetic acid
Nitrilotriacetic acid
ME801946
-
-
-
-
"N,N-dimethylarginine (RT = 13.597)"
-
ME801933
-
-
-
-
"N,N,N-TRIMETHYLLYSINE"
N-6-Trimethyllysine
ME801932
-
-
-
-
"Norspermidine-2,3-dihydroxybenzoate"
-
ME801947
-
-
-
-
N-Propanoylimidazole
N-Propanoylimidazole
ME801940
-
-
-
-
NPYR
-
ME801948
-
-
-
-
Nudifloramide
N1-Methyl-2-pyridone-5-carboxamide
ME801949
-
-
-
-
O-PHOSPHOETHANOLAMINE
Phosphoethanolamine
ME801952
-
-
-
-
ornithine
Ornithine
ME801953
-
-
-
-
Palmitoyl sphingomyelin
SM 18:1;O2/16:0
ME801955
-
-
-
-
p-aminobenzoate
p-Aminobenzoic acid
ME801954
-
-
-
-
PANTOTHENATE
Pantothenic acid
ME801956
-
-
-
-
PC
-
ME801957
-
-
-
-
pentabamate
-
ME801958
-
-
-
-
phenylalanine
Phenylalanine
ME801959
-
-
-
-
phosphocholine
Choline phosphate
ME801960
-
-
-
-
Pipecolate
Pipecolic acid
ME801961
-
-
-
-
Pipecolate degenerate
-
ME801962
-
-
-
-
Pipecolinic acid degenerate
-
ME801964
-
-
-
-
Pipecolinic acid (tail)
-
ME801963
-
-
-
-
Piperidine
Piperidine
ME801965
-
-
-
-
Pirbuterol
Pirbuterol
ME801966
-
-
-
-
Pregabalin (1)
Pregabalin
ME801967
-
-
-
-
Pregabalin (2)
Pregabalin
ME801968
-
-
-
-
Pro-Hyp (1)
Pro-hydroxyPro
ME801969
-
-
-
-
Pro-Hyp (2)
Pro-hydroxyPro
ME801970
-
-
-
-
proline
Proline
ME801971
-
-
-
-
Proline degenerate
-
ME801972
-
-
-
-
Prolylglycine
Pro-Gly
ME801973
-
-
-
-
Prolylleucine
Pro-Leu
ME801974
-
-
-
-
propionylcarnitine
CAR 3:0
ME801975
-
-
-
-
Pyroglutamic Acid
Pyroglutamic acid
ME801976
-
-
-
-
quinolinic_acid
Quinolinic acid
ME801977
-
-
-
-
Rivastigmine
Rivastigmine
ME801978
-
-
-
-
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME801979
-
-
-
-
Secnidazole
-
ME801980
-
-
-
-
serine
Serine
ME801981
-
-
-
-
Spermine
Spermine
ME801982
-
-
-
-
streptidine
Streptidine
ME801983
-
-
-
-
Succinyladenosine
Succinyladenosine
ME801984
-
-
-
-
taurine
Taurine
ME801985
-
-
-
-
Thiamine
Thiamine
ME801986
-
-
-
-
threonine
Threonine
ME801987
-
-
-
-
THTC
Tetrahydrothiophene-2-carboxylic acid
ME801988
-
-
-
-
Tilarginine
-
ME801989
-
-
-
-
trans-3-Indoleacrylic acid
trans-3-Indoleacrylic acid
ME801990
-
-
-
-
tryptophan
Tryptophan
ME801991
-
-
-
-
tyrosine
Tyrosine
ME801992
-
-
-
-
Tyrosine degenerate
-
ME801993
-
-
-
-
valine
Valine
ME801994
-
-
-
-
Voglibose
-
ME801995
-
-
-
-
YR0513000
-
ME801996
-
-
-
-
YV8195000
-
ME801997
-
-
-
-
Analysis: HILIC NEGATIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
13-KODE
13-Oxo-ODE
ME802100
-
-
-
-
16-Oxohexadecanoic acid
-
ME802101
-
-
-
-
1-(sn-glycero-3-phospho)-1D-myo-inositol
sn-Glycero-3-phosphoinositol
ME802099
-
-
-
-
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyran...
-
ME802102
-
-
-
-
"2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17...
2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol
ME802106
-
-
-
-
2-Furoic acid
2-Furoic acid
ME802103
-
-
-
-
2-Heptadecanone
-
ME802104
-
-
-
-
2-Pentadecanone
-
ME802105
-
-
-
-
(2-Pyridinyloxy)methanesulfonic acid
-
ME802094
-
-
-
-
(2R)-2-Hydroxypentanoic acid
-
ME802095
-
-
-
-
(2S)-2-Hydroxytetradecanoic acid
-
ME802096
-
-
-
-
3-hydroxyisobutyric_acid
3-Hydroxyisobutyric acid
ME802107
-
-
-
-
3-methyl-2-oxopentanoic_acid
3-Methyl-2-oxovaleric acid
ME802108
-
-
-
-
3-Phenyllactic acid
Phenyllactic acid
ME802109
-
-
-
-
4-Dodecylbenzenesulfonic acid
4-Dodecylbenzenesulfonic acid
ME802110
-
-
-
-
4-Ethylguaiacol
-
ME802111
-
-
-
-
4-phenolsulfonic acid
4-Hydroxybenzenesulfonic acid
ME802112
-
-
-
-
4-tert-Octylphenol monoethoxylate
-
ME802113
-
-
-
-
5'-dehydroadenosine
5'-Dehydroadenosine
ME802114
-
-
-
-
5'-xanthylic acid
XMP
ME802115
-
-
-
-
acetylaspartate
N-Acetylaspartic acid
ME802116
-
-
-
-
Acetylcarnitine
CAR 2:0
ME802117
-
-
-
-
acetylglycine
N-Acetylglycine
ME802118
-
-
-
-
afegostat
Afegostat
ME802119
-
-
-
-
ALA-GLU (1)
Ala-Glu
ME802120
-
-
-
-
ALA-GLU (2)
Ala-Glu
ME802121
-
-
-
-
alanine
Alanine
ME802122
-
-
-
-
allophanic acid
-
ME802123
-
-
-
-
anthopleurine
-
ME802124
-
-
-
-
Arachidonic acid
Arachidonic acid
ME802125
-
-
-
-
arginine
Arginine
ME802126
-
-
-
-
argininosuccinate
Argininosuccinic acid
ME802127
-
-
-
-
ascorbic acid 2-sulfate
Ascorbic acid 2-sulfate
ME802128
-
-
-
-
asparagine
Asparagine
ME802129
-
-
-
-
Aspartame
Aspartame
ME802130
-
-
-
-
asymmetric dimethylarginine (ADMA)
Dimethylarginine
ME802131
-
-
-
-
betaine
Betaine
ME802132
-
-
-
-
Bufanolide
Bufanolide
ME802133
-
-
-
-
C10 H12 N2 O8
-
ME802027
-
-
-
-
C10 H17 Cl N4 O2 P2
-
ME802032
-
-
-
-
C10 H19 O2 P S
-
ME802050
-
-
-
-
C10 H23 N7 O P2 S
-
ME802000
-
-
-
-
C10 H30 N10 S2
-
ME802077
-
-
-
-
C11 H14 O2 P2 S2
-
ME802047
-
-
-
-
C11 H20 Br N7 P2
-
ME802024
-
-
-
-
C11 H22 N2 O9
-
ME802013
-
-
-
-
C11 H25 N8 P
-
ME802075
-
-
-
-
C12 H14 O13
-
ME802046
-
-
-
-
C12 H21 N O9
-
ME802004
-
-
-
-
C12 H28 N10 O S2
-
ME802088
-
-
-
-
C12 H28 N8 O4
-
ME802033
-
-
-
-
C12 H28 N9 O3 P3 S2
-
ME802057
-
-
-
-
C12 H31 N4 O P
-
ME802045
-
-
-
-
C12 H31 N8 O8 P
-
ME802089
-
-
-
-
C12 H32 N6 S
-
ME802067
-
-
-
-
C13 H28 N6 S
-
ME802086
-
-
-
-
C13 H8 N2 O14 P2
-
ME802041
-
-
-
-
C14 H19 N5 O6
-
ME802005
-
-
-
-
C14 H23 N O10
-
ME802019
-
-
-
-
C14 H31 N4 O P
-
ME802068
-
-
-
-
C14 H32 O3 P2
-
ME802062
-
-
-
-
C14 H33 N4 O2 P
-
ME802058
-
-
-
-
C14 H8 N4 O9 S
-
ME802011
-
-
-
-
C15 H14 N6 O2
-
ME802025
-
-
-
-
C15 H19 N2 O6 P
-
ME802003
-
-
-
-
C15 H34 N6 O S
-
ME802083
-
-
-
-
C15 H36 N6 O S
-
ME802064
-
-
-
-
C16 H21 Cl N10 O S
-
ME802069
-
-
-
-
C16 H26 O3 S
-
ME802014
-
-
-
-
C16 H27 N O13
-
ME802002
-
-
-
-
C16 H31 N O3
-
ME802059
-
-
-
-
C16 H33 N4 O2 P
-
ME802080
-
-
-
-
C16 H35 O12 P
-
ME802051
-
-
-
-
C17 H28 O3 S
-
ME802026
-
-
-
-
C17 H38 N6 O3 S
-
ME802030
-
-
-
-
C17 H39 N9 O10
-
ME802082
-
-
-
-
C17 H3 N6 O P S2
-
ME802035
-
-
-
-
C18 H22 O16 P2
-
ME802074
-
-
-
-
C18 H34 N2 O10
-
ME802009
-
-
-
-
C19 H20 O3 P2
-
ME802071
-
-
-
-
C19 H32 O3 S
-
ME802017
-
-
-
-
C20 H49 N10 P3
-
ME802039
-
-
-
-
C21 H29 Cl O
-
ME802073
-
-
-
-
C21 H50 N8 O9 P2
-
ME802092
-
-
-
-
C22 H24 N4 O
-
ME802055
-
-
-
-
C22 H30 N3 P
-
ME802066
-
-
-
-
C22 H42 N6 O2 S
-
ME802079
-
-
-
-
C22 H44 N5 O2 P
-
ME802081
-
-
-
-
C24 H31 N5 O7 P2
-
ME802031
-
-
-
-
C25 H32 N4 O2
-
ME802090
-
-
-
-
C27 H65 N10 O6 P3
-
ME802093
-
-
-
-
C28 H58 N O8 P3
-
ME802087
-
-
-
-
C28 H60 N10 O10
-
ME802063
-
-
-
-
C2 H2 N4 O13 P2 S2
-
ME802037
-
-
-
-
C2 H5 N4 O17 P3 S2
-
ME802022
-
-
-
-
C2 H Br N2 S2
-
ME802040
-
-
-
-
C30 H38 N2 O3
-
ME802038
-
-
-
-
C30 H70 N7 O9 P
-
ME802085
-
-
-
-
C31 H45 N3 P2 S
-
ME802056
-
-
-
-
C31 H46 N P3
-
ME802070
-
-
-
-
C3 H12 N5 O5 P S
-
ME802036
-
-
-
-
C3 H5 Cl N6 O4
-
ME802048
-
-
-
-
C40 H84 N O5 P3
-
ME802091
-
-
-
-
C4 H10 Cl N3 O2
-
ME802008
-
-
-
-
C4 H10 Cl O2 P S5
-
ME802028
-
-
-
-
C4 H9 Br O5
-
ME801998
-
-
-
-
C5 H17 N10 O7 P3
-
ME802084
-
-
-
-
C5 H18 Br N7 O5
-
ME802054
-
-
-
-
C5 H9 O11 P
-
ME802020
-
-
-
-
C6 H11 N4 O3 P S
-
ME802001
-
-
-
-
C6 H12 N O11 P
-
ME802006
-
-
-
-
C6 H14 N7 O3 P
-
ME802065
-
-
-
-
C6 H22 N5 O13 P3
-
ME802060
-
-
-
-
C6 H9 N O10
-
ME802015
-
-
-
-
C7 H11 N4 O16 P3
-
ME802078
-
-
-
-
C7 H12 N2 O5
-
ME802052
-
-
-
-
C7 H15 N5 O P2
-
ME802018
-
-
-
-
C7 H20 Br N5 O11
-
ME802049
-
-
-
-
C7 H20 N9 P S2
-
ME802034
-
-
-
-
C7 H6 N4 O7 S
-
ME801999
-
-
-
-
C7 H7 N4 O8 P
-
ME802016
-
-
-
-
C8 H12 N2 O9 S
-
ME802010
-
-
-
-
C8 H14 N9 O2 P S2
-
ME802029
-
-
-
-
C8 H15 N3 O9
-
ME802042
-
-
-
-
C8 H17 N5 O P2
-
ME802023
-
-
-
-
C8 H18 O6
-
ME802072
-
-
-
-
C8 H25 Br N8 O3
-
ME802043
-
-
-
-
C8 H25 N10 O2 P3
-
ME802053
-
-
-
-
C8 H9 Cl N2 O2 S
-
ME802021
-
-
-
-
C9 H15 N3 O6
-
ME802044
-
-
-
-
C9 H6 O10 S
-
ME802012
-
-
-
-
C9 H8 O11 S
-
ME802007
-
-
-
-
C9 H9 N7 O8
-
ME802061
-
-
-
-
C H2 Br N8 P
-
ME802076
-
-
-
-
cis-aconitate
cis-Aconitic acid
ME802134
-
-
-
-
citrate
Citric acid
ME802135
-
-
-
-
citrulline
Citrulline
ME802136
-
-
-
-
CLIDINIUM
Clidinium
ME802137
-
-
-
-
coformycin
Coformycin
ME802138
-
-
-
-
Cortisol
Cortisol
ME802139
-
-
-
-
creatine
Creatine
ME802140
-
-
-
-
Cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME802141
-
-
-
-
cystine
Cystine
ME802142
-
-
-
-
cytidine
Cytidine
ME802143
-
-
-
-
dacisteine
-
ME802145
-
-
-
-
Decanoic acid
Capric acid
ME802146
-
-
-
-
Dihomo-gamma-linolenic acid
Dihomo-gamma-linolenic acid
ME802147
-
-
-
-
Dihydrothymine
Dihydrothymine
ME802148
-
-
-
-
DL-Glutamic acid
Glutamic acid
ME802149
-
-
-
-
DL-Histidine
Histidine
ME802150
-
-
-
-
D-(+)-Pyroglutamic Acid
5-Oxo-D-proline
ME802144
-
-
-
-
(E)-2-Chloro-4-oxo-2-hexenedioic acid
-
ME802097
-
-
-
-
epsilon-(gamma-Glutamyl)-lysine (RT = 10.667)
Epsilon-(gamma-Glutamyl)-lysine
ME802151
-
-
-
-
epsilon-(gamma-Glutamyl)-lysine (RT = 11.658)
Epsilon-(gamma-Glutamyl)-lysine
ME802152
-
-
-
-
Erucamide
13Z-Docosenamide
ME802153
-
-
-
-
Ethopabate
Ethopabate
ME802154
-
-
-
-
Fucose
Fucose
ME802155
-
-
-
-
gamma-Glu-gln
gamma-Glutamylglutamine
ME802156
-
-
-
-
GLUCONATE
Gluconic acid
ME802157
-
-
-
-
glucose
Glucose
ME802158
-
-
-
-
glutamine
Glutamine
ME802159
-
-
-
-
Glutaric acid
Glutaric acid
ME802160
-
-
-
-
Glutaurine
5-Glutamyl-taurine
ME802161
-
-
-
-
glycerin
Glycerol
ME802162
-
-
-
-
Glycerol 3-Phosphate
sn-Glycero-3-phosphate
ME802163
-
-
-
-
Glycol palmitate
-
ME802164
-
-
-
-
GSSG
Oxidized glutathione
ME802165
-
-
-
-
histidine
Histidine
ME802166
-
-
-
-
Homo-L-arginine
Homoarginine
ME802167
-
-
-
-
Homovanillic acid
Homovanillic acid
ME802168
-
-
-
-
Hopantenic acid
-
ME802169
-
-
-
-
hydroxyacetone phosphate
Hydroxyacetone phosphate
ME802170
-
-
-
-
hypoxanthine
Hypoxanthine
ME802171
-
-
-
-
INDOXYL SULFATE
Indoxyl sulfate
ME802172
-
-
-
-
inosine
Inosine
ME802173
-
-
-
-
Isethionic acid
2-Hydroxyethanesulfonate
ME802174
-
-
-
-
Isobutyric acid
Isobutyric acid
ME802175
-
-
-
-
isoleucine
Isoleucine
ME802176
-
-
-
-
Itaconic acid
Itaconic acid
ME802177
-
-
-
-
Juniperic acid
Juniperic acid
ME802178
-
-
-
-
Kikkanol D
-
ME802179
-
-
-
-
kynurenine
Kynurenine
ME802180
-
-
-
-
lactic acid
Lactic acid
ME802181
-
-
-
-
laurilsulfate
-
ME802182
-
-
-
-
leucine
Leucine
ME802183
-
-
-
-
Linoleic acid
Linoleic acid
ME802184
-
-
-
-
lysine
Lysine
ME802185
-
-
-
-
Mandenol
-
ME802186
-
-
-
-
methionine
Methionine
ME802187
-
-
-
-
Methionine sulfoxide
Methionine sulfoxide
ME802188
-
-
-
-
Methohexital
Methohexital
ME802189
-
-
-
-
METHYL GALACTOSIDE
Methyl beta-D-galactoside
ME802190
-
-
-
-
Methyl palmitate
-
ME802191
-
-
-
-
MFCD12546417
-
ME802192
-
-
-
-
myo-inositol
Myo-inositol
ME802193
-
-
-
-
myristic acid
Myristic acid
ME802194
-
-
-
-
Myristoleic acid
Myristoleic acid
ME802195
-
-
-
-
N~2~-Acetyl-L-ornithine
N-Acetylornithine
ME802201
-
-
-
-
N6-METHYLLYSINE
N(6)-Methyllysine
ME802199
-
-
-
-
N-Acetyl-1-aspartylglutamic acid
N-Acetyl-Asp-Glu
ME802196
-
-
-
-
N-Acetylglucosaminitol
N-Acetyl-glucosaminitol
ME802197
-
-
-
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME802198
-
-
-
-
Niacin
Nicotinic acid
ME802200
-
-
-
-
Oleic acid
Oleic acid
ME802203
-
-
-
-
O-PHOSPHOETHANOLAMINE
Phosphoethanolamine
ME802202
-
-
-
-
ornithine
Ornithine
ME802204
-
-
-
-
Ornithine degenerate (RT = 14.706)
-
ME802205
-
-
-
-
Ornithine degenerate (RT = 9.874)
-
ME802206
-
-
-
-
Orotic acid
Orotic acid
ME802207
-
-
-
-
Oxalosuccinic acid
Oxalosuccinic acid
ME802208
-
-
-
-
OXOPROLINE/PYROGLUTAMATE
-
ME802209
-
-
-
-
palmitate
Palmitic acid
ME802210
-
-
-
-
Palmitoleic acid
Palmitoleic acid
ME802211
-
-
-
-
Pantothenate
Pantothenic acid
ME802212
-
-
-
-
Paraldehyde
Paraldehyde
ME802213
-
-
-
-
pentadecanoic acid
Pentadecylic acid
ME802214
-
-
-
-
phenylalanine
Phenylalanine
ME802215
-
-
-
-
Phosphoric acid
Phosphoric acid
ME802216
-
-
-
-
Pivagabine
Pivagabine
ME802217
-
-
-
-
proline
Proline
ME802218
-
-
-
-
pseudouridine
Pseudouridine
ME802219
-
-
-
-
Pyridoxal
Pyridoxal
ME802220
-
-
-
-
quinolinic_acid
Quinolinic acid
ME802221
-
-
-
-
Retinyl acetate
Retinyl acetate
ME802222
-
-
-
-
RG1300000
-
ME802223
-
-
-
-
serine
Serine
ME802224
-
-
-
-
Stearic acid
Stearic acid
ME802225
-
-
-
-
succinate
Succinic acid
ME802226
-
-
-
-
Sulfuric acid
Sulfuric acid
ME802227
-
-
-
-
taurine
Taurine
ME802228
-
-
-
-
threonine
Threonine
ME802229
-
-
-
-
TI1090000
-
ME802230
-
-
-
-
Tocopherol
alpha-Tocopherol
ME802231
-
-
-
-
Tricine
-
ME802232
-
-
-
-
tryptophan
Tryptophan
ME802233
-
-
-
-
tyrosine
Tyrosine
ME802234
-
-
-
-
Undecylic acid
Undecylic acid
ME802235
-
-
-
-
uracil
Uracil
ME802236
-
-
-
-
Uracil degenerate (1)
-
ME802237
-
-
-
-
Uracil degenerate (2)
-
ME802238
-
-
-
-
Valeric acid
Valeric acid
ME802239
-
-
-
-
valine
Valine
ME802240
-
-
-
-
Voglibose
-
ME802241
-
-
-
-
XYLITOL
Xylitol
ME802242
-
-
-
-
XYLOSE
Xylose
ME802243
-
-
-
-
"(Z,E)-9,12-Tetradecadienyl acetate"
-
ME802098
-
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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