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Return to study ST002500 main page
Analysis: GC UNSPECIFIED ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
11-cis-Octadecenoic acid
-
ME597016
-
-
-
-
1,2-Bis)-ethane
-
ME596909
-
-
-
-
1,2-Bis(trimethylsiloxy)ethane
-
ME596835
-
-
-
-
12-dioxatetracyclo tetradeca-2,4,6-triene
-
ME597017
-
-
-
-
1,8-Phenazinediol 5,10-dioxide
-
ME596885
-
-
-
-
1H-Indole
Indole
ME596871
-
-
-
-
1H-Indole-2,3-dione
-
ME597027
-
-
-
-
1H-Indole-3-ethanamine
Tryptamine
ME596932
-
-
-
-
1H-Pyrazol-5-amine
-
ME596956
-
-
-
-
1-propan-2-one
-
ME596883
-
-
-
-
1-Propanol
-
ME596864
-
-
-
-
2,3,4-Trihydroxybutyric acid
-
ME596940
-
-
-
-
2,3,4-Trihydroxybutyric acid2
-
ME596943
-
-
-
-
2,3-BUTANEDIOL 1
2,3-Butanediol
ME596839
-
-
-
-
2,3-Dihydroxybutanoic acid
2,3-Dihydroxybutanoic acid
ME596908
-
-
-
-
2,3-Pyridinedicarboxylic acid
Quinolinic acid
ME596946
-
-
-
-
2,4'-Bis diphenylmethane
-
ME597003
-
-
-
-
2,4-Quinolinediamine
-
ME597024
-
-
-
-
2-aminobutyric acid
2-Aminobutyric acid
ME596843
-
-
-
-
2-Aminocaprylic acid
2-Aminocaprylic acid
ME596947
-
-
-
-
2-aminoethanethiol 2
Cysteamine
ME596919
-
-
-
-
2-Fluorobenzylamine
-
ME596952
-
-
-
-
2-Hydroxy-3-methylbutanoic acid
2-Hydroxy-3-methylbutyric acid
ME596875
-
-
-
-
2-hydroxybutyric acid
2-Hydroxybutyric acid
ME596866
-
-
-
-
2-hydroxypyridine
2-Hydroxypyridine
ME596844
-
-
-
-
2-Keto-3-methylvaleric acid mo-tms pk2
-
ME596884
-
-
-
-
2-ketoisocaproic acid 2
Ketoleucine
ME596887
-
-
-
-
2-Ketoisovaleric acid oxime deriv.
-
ME596905
-
-
-
-
2-Methyl-6-propylpiperidine
-
ME596869
-
-
-
-
2-Propanol
Isopropanol
ME596846
-
-
-
-
2-Pyrrolidinecarboxylic acid
Proline
ME596889
-
-
-
-
3,6-Dioxa-2,7-disilaoctane
-
ME596854
-
-
-
-
3,6-Dioxa-2,7-disilaoctane2
-
ME596870
-
-
-
-
3,7-Dioxa-2,8-disilanonane
-
ME596850
-
-
-
-
3-methyl-2-oxobutanoic acid
Ketoisovaleric acid
ME596838
-
-
-
-
3-methyl-2-oxobutanoic acid2
Ketoisovaleric acid
ME596861
-
-
-
-
3-Tripropylsilyloxy-1-phenyl-1-propene
-
ME596918
-
-
-
-
4-Butyl-indan-5-ol
-
ME596855
-
-
-
-
4-hydroxybenzaldehyde 2
4-Hydroxybenzaldehyde
ME596930
-
-
-
-
5-Aminolevulinic acid
5-Amino-levulinic acid
ME596949
-
-
-
-
5-hydroxy-L-tryptophan 2
5-Hydroxy-tryptophan
ME596915
-
-
-
-
6-Chrysenamine
-
ME597009
-
-
-
-
Acetaldehyde oxime
-
ME596900
-
-
-
-
Acetoacetate
Acetoacetic acid
ME596863
-
-
-
-
AG(1,5-Anhydroglucitol)
-
ME596970
-
-
-
-
alanine1
Alanine
ME596860
-
-
-
-
Arachidonic acid
Arachidonic acid
ME597026
-
-
-
-
Asparagine 2
Asparagine
ME596955
-
-
-
-
aspartic acid 1
Aspartic acid
ME596916
-
-
-
-
aspartic acid 2
Aspartic acid
ME596935
-
-
-
-
asp-glu 4
Asp-Glu
ME596912
-
-
-
-
Benzoate
Benzoic acid
ME596944
-
-
-
-
beta-D-Galactofuranose
-
ME596997
-
-
-
-
Bis(2-(Dimethylamino)ethyl) ether
-
ME597020
-
-
-
-
Cadaverine
Cadaverine
ME596921
-
-
-
-
Carbamic acid
Carbamic acid
ME596892
-
-
-
-
Carbonic acid
Carbonic acid
ME597032
-
-
-
-
carboxylic acid
-
ME597034
-
-
-
-
Carprofen
-
ME596917
-
-
-
-
Cholesterol
Cholesterol
ME597039
-
-
-
-
cis-9-Hexadecenoic acid
Palmitoleic acid
ME597000
-
-
-
-
citrate
Citric acid
ME596968
-
-
-
-
Cyclodecasiloxane
-
ME596989
-
-
-
-
Cyclononasiloxane
-
ME596965
-
-
-
-
Cyclononasiloxane2
-
ME597023
-
-
-
-
Cyclotetrasiloxane
-
ME596833
-
-
-
-
cysteine
Cysteine
ME596942
-
-
-
-
d-2-Aminobutyric acid
2R-Aminobutyric acid
ME596877
-
-
-
-
Decane
N-Decane
ME596851
-
-
-
-
dehydroascorbic acid 1
Dehydroascorbic acid
ME596941
-
-
-
-
D-Fructose
Fructose
ME596972
-
-
-
-
D-Glucopyranose
Glucose
ME596977
-
-
-
-
Dihydroepistephamiersine
-
ME596906
-
-
-
-
Dipropylacetic acid
-
ME596872
-
-
-
-
Docosahexaenoic acid
Docosahexaenoic acid
ME597036
-
-
-
-
Dodecanoic acid
Lauric acid
ME596953
-
-
-
-
D-Pinitol
Pinitol
ME596971
-
-
-
-
D-Ribofuranose
Ribose
ME596964
-
-
-
-
ETA(Ethanolamine)
-
ME596895
-
-
-
-
Ethanamine
Ethylamine
ME597033
-
-
-
-
Ethylenediaminetetraacetic acid
Edetic acid
ME597025
-
-
-
-
Ethylenediaminetetraacetic acid2
Edetic acid
ME597028
-
-
-
-
etrahydroisoquinoline
-
ME596882
-
-
-
-
Galactose
Galactose
ME596980
-
-
-
-
Galactose2
Galactose
ME596984
-
-
-
-
GAL(D-Galactose)
Galactose
ME596976
-
-
-
-
gluconate
Gluconic acid
ME596998
-
-
-
-
Glucose1
Glucose
ME596981
-
-
-
-
Glucose2
Glucose
ME596982
-
-
-
-
Glucose3
Glucose
ME596986
-
-
-
-
Glutamic acid 1
Glutamic acid
ME596938
-
-
-
-
Glycerol
Glycerol
ME596899
-
-
-
-
Glycine
Glycine
ME596865
-
-
-
-
Glycine 2
Glycine
ME596903
-
-
-
-
Glycolate
Glycolic acid
ME596858
-
-
-
-
Gly-Gly
Gly-Gly
ME596856
-
-
-
-
Glyoxylic oxime acid
-
ME596925
-
-
-
-
Guanine
Guanine
ME596999
-
-
-
-
Heptanamide
-
ME596993
-
-
-
-
Hexadecanoic acid
Palmitic acid
ME597002
-
-
-
-
Hexanoic acid
Caproic acid
ME596857
-
-
-
-
HMB(3-Hydroxyisovaleric acid)
-
ME596886
-
-
-
-
Hyb(3-Hydroxybutyric acid)
-
ME596874
-
-
-
-
Hydroxylamine
Hydroxylamine
ME596862
-
-
-
-
Hydroxyprogesterone
17alpha-Hydroxyprogesterone
ME597029
-
-
-
-
hypotaurine
Hypotaurine
ME596948
-
-
-
-
hypoxanthine
Hypoxanthine
ME596966
-
-
-
-
Hyp(trans-4-hydroxy-L-proline)
-
ME596936
-
-
-
-
iminodiacetic acid2
Iminodiacetate
ME596937
-
-
-
-
Indolelactate
Indolelactic acid
ME597010
-
-
-
-
IPA(Indole-3-propanoic acid)
-
ME597004
-
-
-
-
isocitrate
Isocitric acid
ME596969
-
-
-
-
isoleucine 1
Isoleucine
ME596880
-
-
-
-
isoleucine1
Isoleucine
ME596901
-
-
-
-
isopropyl beta-D-1-thiogalactopyranoside
-
ME596992
-
-
-
-
isopropyl beta-D-1-thiogalactopyranoside2
-
ME596995
-
-
-
-
Lactate1
Lactic acid
ME596852
-
-
-
-
Lactate2
Lactic acid
ME596853
-
-
-
-
lactobionic acid 3
Lactobionic acid
ME597001
-
-
-
-
L-Altrose
-
ME596978
-
-
-
-
L-Altrose 2
-
ME596979
-
-
-
-
L-cystine
Cystine
ME597021
-
-
-
-
L-cystine 2
Cystine
ME597019
-
-
-
-
Leucine
Leucine
ME596873
-
-
-
-
L-glutamic acid 2
Glutamic acid
ME596950
-
-
-
-
L-glutamine 3
Glutamine
ME596962
-
-
-
-
Linoleic acid
Linoleic acid
ME597013
-
-
-
-
Lysine 2
Lysine
ME596987
-
-
-
-
Malate
Malic acid
ME596929
-
-
-
-
Mannitol
Mannitol
ME596988
-
-
-
-
Mannose
Mannose
ME596996
-
-
-
-
Methionine 1
Methionine
ME596913
-
-
-
-
mono-Methyl phosphate
Methanolphosphate
ME596879
-
-
-
-
Myo-Inositol
Myo-inositol
ME597006
-
-
-
-
N-(2-Acetamido)iminodiacetic acid
-
ME597008
-
-
-
-
N-(6-Quinolinyl)phthalimide
-
ME596963
-
-
-
-
N-acetyl-D-mannosamine 2
N-Acetyl-mannosamine
ME596983
-
-
-
-
N-Ethyl-2-phenethylamine
-
ME596836
-
-
-
-
N,N-bis ethanamine
-
ME596922
-
-
-
-
N-N-cyclohexylsulfamate
-
ME596920
-
-
-
-
N,N',o-Tris-tryptophane
-
ME597011
-
-
-
-
Norleucine
Norleucine
ME596896
-
-
-
-
n-Tridecanoic acid
Tridecylic acid
ME596961
-
-
-
-
N-Trimethylsilylmethoxyamine
-
ME596841
-
-
-
-
Octadecanoic acid
Stearic acid
ME597018
-
-
-
-
oleic acid
Oleic acid
ME597014
-
-
-
-
OMV(3-Methyl-2-Oxovaleric acid)
-
ME596881
-
-
-
-
Ornithine
Ornithine
ME596960
-
-
-
-
Ornithine2
Ornithine
ME596967
-
-
-
-
oxalic acid
Oxalic acid
ME596867
-
-
-
-
oxalic acid 2
Oxalic acid
ME596868
-
-
-
-
Pentanedioic acid
Glutaric acid
ME596945
-
-
-
-
Pentasiloxane
-
ME596876
-
-
-
-
Pentasiloxane2
-
ME596890
-
-
-
-
Phenylalanine
Phenylalanine
ME596951
-
-
-
-
Phenylalanine 1
Phenylalanine
ME596939
-
-
-
-
Phosmet
Phosmet
ME596924
-
-
-
-
Phospate
-
ME596898
-
-
-
-
phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME597022
-
-
-
-
Phosphonic acid
-
ME596842
-
-
-
-
Phosphoric acid
Phosphoric acid
ME597040
-
-
-
-
Phosphoric acid2
Phosphoric acid
ME597041
-
-
-
-
Phthalic acid
Phthalic acid
ME596991
-
-
-
-
Phthalic acid2
Phthalic acid
ME597035
-
-
-
-
Proline
Proline
ME596902
-
-
-
-
proline 1
Proline
ME596878
-
-
-
-
Proline2
Proline
ME596994
-
-
-
-
Propanoic acid
Propionic acid
ME596907
-
-
-
-
Propenoic acid
Propenoic acid
ME597042
-
-
-
-
pyroglutamic acid
Pyroglutamic acid
ME596934
-
-
-
-
pyrophosphate
Pyrophosphate
ME596954
-
-
-
-
pyruvic acid
Pyruvic acid
ME596847
-
-
-
-
Sarcosine
Sarcosine
ME596891
-
-
-
-
Serine
Serine
ME596894
-
-
-
-
Serine2
Serine
ME596910
-
-
-
-
Silane
-
ME596837
-
-
-
-
Silane1
-
ME596848
-
-
-
-
Silane2
-
ME597037
-
-
-
-
Silanol
-
ME596897
-
-
-
-
Silicic acid
-
ME596840
-
-
-
-
Solasodine triacetate
-
ME597030
-
-
-
-
Solasodine triacetate2
-
ME597031
-
-
-
-
Succinate
Succinic acid
ME596904
-
-
-
-
tagatose
D-Tagatose
ME596974
-
-
-
-
tagatose2
D-Tagatose
ME596975
-
-
-
-
talose 2
Talose
ME596985
-
-
-
-
Tetracosamethyl-cyclododecasiloxane
-
ME597005
-
-
-
-
Tetrahydrofuran
Tetrahydrofuran
ME596923
-
-
-
-
Tetrasiloxane
-
ME596845
-
-
-
-
Tetrasiloxane2
-
ME596849
-
-
-
-
Threitol
Threitol
ME596933
-
-
-
-
Threitol2
Threitol
ME596957
-
-
-
-
threo-3-hydroxy-L-aspartate
3-Hydroxyaspartic acid
ME596926
-
-
-
-
Threonine 2
Threonine
ME596911
-
-
-
-
Tocopherol
alpha-Tocopherol
ME597038
-
-
-
-
trans-4-hydroxy-L-proline 1
trans-4-Hydroxyproline
ME596927
-
-
-
-
trans-9-Octadecenoic acid
Elaidic acid
ME597015
-
-
-
-
Tris(hydroxymethyl)aminomethane
2-Amino-2-methylol-propane-1,3-diol
ME596914
-
-
-
-
Tris(trimethylsilyl)borate
-
ME596834
-
-
-
-
Tryptophan2
Tryptophan
ME597012
-
-
-
-
Tyrosine
Tyrosine
ME596990
-
-
-
-
tyrosine 1
Tyrosine
ME596973
-
-
-
-
undecane
Undecane
ME596928
-
-
-
-
Urate
Uric acid
ME597007
-
-
-
-
Urea 2
Urea
ME596893
-
-
-
-
valine
Valine
ME596888
-
-
-
-
valine 1
Valine
ME596859
-
-
-
-
Valine2
Valine
ME596931
-
-
-
-
Xylitol2
Xylitol
ME596958
-
-
-
-
α-Methyl-L-tyrosine
-
ME596959
-
-
-
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
AC18:1(carnitineC18:1)
CAR 18:1
ME597077
-
-
-
-
AC2(carnitineC2:0)
-
ME597049
-
-
-
-
AC3(carnitineC3:0)
-
ME597061
-
-
-
-
AC4(carnitineC4:0)
CAR 4:0
ME597072
-
-
-
-
acetylcholine
Acetylcholine
ME597054
-
-
-
-
Alanine
Alanine
ME597058
-
-
-
-
Arginine
Arginine
ME597047
-
-
-
-
Asparagine
Asparagine
ME597065
-
-
-
-
Aspartic acid
Aspartic acid
ME597053
-
-
-
-
betaine
Betaine
ME597051
-
-
-
-
carnitine
Carnitine
ME597063
-
-
-
-
carnitineC14:0
-
ME597074
-
-
-
-
carnitineC16:0
CAR 16:0
ME597076
-
-
-
-
carnitineC16:1
CAR 16:1
ME597075
-
-
-
-
ceramide
-
ME597073
-
-
-
-
choline
Choline
ME597043
-
-
-
-
Citrulline
Citrulline
ME597067
-
-
-
-
Creatinine
Creatinine
ME597045
-
-
-
-
daidzein
Daidzein
ME597068
-
-
-
-
Glutamic acid
Glutamic acid
ME597057
-
-
-
-
Glutamine
Glutamine
ME597056
-
-
-
-
Histidine
Histidine
ME597046
-
-
-
-
Leucine
Leucine
ME597059
-
-
-
-
LPC15:0
LPC 15:0
ME597081
-
-
-
-
LPC16:0
LPC 16:0
ME597083
-
-
-
-
LPC16:1
LPC 16:1
ME597082
-
-
-
-
LPC17:0
LPC 17:0
ME597085
-
-
-
-
LPC18:0
LPC 18:0
ME597092
-
-
-
-
LPC18:1
LPC 18:1
ME597087
-
-
-
-
LPC18:2
LPC 18:2
ME597086
-
-
-
-
LPC20:4
LPC 20:4
ME597089
-
-
-
-
LPC22:6
LPC 22:6
ME597091
-
-
-
-
LPE16:0
LPE 16:0
ME597078
-
-
-
-
LPE18:0
LPE 18:0
ME597080
-
-
-
-
LPE18:1
LPE 18:1
ME597079
-
-
-
-
LPE20:4
LPE 20:4
ME597084
-
-
-
-
LPE21:3
LPE 21:3
ME597069
-
-
-
-
LPE22:6
LPE 22:6
ME597088
-
-
-
-
LPE24:6
LPE 24:6
ME597090
-
-
-
-
Lysine
Lysine
ME597055
-
-
-
-
Methionine
Methionine
ME597060
-
-
-
-
ornithine
Ornithine
ME597066
-
-
-
-
PC32:0
PC 32:0
ME597096
-
-
-
-
PC32:1
PC 32:1
ME597095
-
-
-
-
PC32:2
PC 32:2
ME597094
-
-
-
-
PC33:2
PC 33:2
ME597097
-
-
-
-
PC34:1
PC 34:1
ME597101
-
-
-
-
PC34:2
PC 34:2
ME597100
-
-
-
-
PC34:3
PC 34:3
ME597099
-
-
-
-
PC34:4
PC 34:4
ME597098
-
-
-
-
PC35:2
PC 35:2
ME597102
-
-
-
-
PC36:0
PC 36:0
ME597112
-
-
-
-
PC36:2
PC 36:2
ME597105
-
-
-
-
PC36:4
PC 36:4
ME597104
-
-
-
-
PC36:5
PC 36:5
ME597103
-
-
-
-
PC37:5
PC 37:5
ME597106
-
-
-
-
PC38:4
PC 38:4
ME597108
-
-
-
-
PC38:6
PC 38:6
ME597107
-
-
-
-
PC40:6
PC 40:6
ME597109
-
-
-
-
PE34:2
PE 34:2
ME597093
-
-
-
-
PE38:4
PE 38:4
ME597111
-
-
-
-
PE38:6
PE 38:6
ME597110
-
-
-
-
PE40:6
PE 40:6
ME597113
-
-
-
-
Phenylalanine
Phenylalanine
ME597070
-
-
-
-
Proline
Proline
ME597050
-
-
-
-
Serine
Serine
ME597044
-
-
-
-
Threonine
Threonine
ME597062
-
-
-
-
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME597064
-
-
-
-
Tryptophan
Tryptophan
ME597071
-
-
-
-
Tyrosine
Tyrosine
ME597048
-
-
-
-
Valine
Valine
ME597052
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
CA(Cholic acid)
Cholic acid
ME597135
-
-
-
-
DCA(Deoxycholic acid)
-
ME597133
-
-
-
-
FFA14:0
Myristic acid
ME597119
-
-
-
-
FFA16:0
Palmitic acid
ME597120
-
-
-
-
FFA17:1
Heptadecenoic acid
ME597121
-
-
-
-
FFA18:0
Stearic acid
ME597125
-
-
-
-
FFA18:1
Octadecenoic acid
ME597124
-
-
-
-
FFA18:2
Octadecadienoic acid
ME597123
-
-
-
-
FFA18:3
Octadecatrienoic acid
ME597122
-
-
-
-
FFA20:1
Heneicosenoic acid
ME597129
-
-
-
-
FFA20:3
Eicosatrienoic acid
ME597128
-
-
-
-
FFA20:4
Eicosatetraenoic acid
ME597127
-
-
-
-
FFA20:5
Eicosapentaenoic acid
ME597126
-
-
-
-
FFA22:6
Docosahexaenoic acid
ME597131
-
-
-
-
FFA24:0
Lignoceric acid
ME597132
-
-
-
-
GCA(glycocholic acid)
Glycocholic acid
ME597138
-
-
-
-
GCDCS(Glycochenodeoxycholic acid )
-
ME597143
-
-
-
-
GDCA(Glycodeoxycholic acid)
-
ME597137
-
-
-
-
GUDCA(Glycoursodeoxycholic acid)
-
ME597136
-
-
-
-
hippuric acid
Hippuric acid
ME597114
-
-
-
-
hippuric acid2
Hippuric acid
ME597117
-
-
-
-
phenyalanine
-
ME597115
-
-
-
-
phe-phe
Phe-Phe
ME597130
-
-
-
-
TCA(Taurocholic acid)
Taurocholic acid
ME597142
-
-
-
-
TCDCA(Taurochenodesoxycholic acid)
Taurochenodeoxycholic acid
ME597141
-
-
-
-
TDCA(Taurodeoxycholic acid)
-
ME597139
-
-
-
-
Tryptophan
Tryptophan
ME597118
-
-
-
-
TUDCA(Tauroursodeoxycholic acid)
-
ME597140
-
-
-
-
UDCA(Ursodeoxycholic acid)
-
ME597134
-
-
-
-
urate
Uric acid
ME597116
-
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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