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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10- [5]-ladderane-decanoic acid-ME42449342607294---
13-cis-retinal-ME42449442607294---
1-Hydroxyvitamin D3 3-D-glucopyranoside1-Hydroxyvitamin D3 3-D-glucopyranosideME4244956436079---
(22S)-1α,22,25-trihydroxy-23,24-tetradehydro-24a-...-ME42449152931337---
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15...(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptolME42449252931337---
2E-Heptenyl acetate-ME42449624779645---
2-Hydroxyhexadecanoic acid2-Hydroxypalmitic acidME42449792836---
3-Deoxy-D-arabinitol1-Deoxy-D-ribitolME424498270738---
(+)-3-hydroxy pelargonic acid-ME42449036599---
3-Oxo-5β-chola-7,9(11)-dien-24-oic Acid-ME4244995284079---
3-tert-Butyl-5-methylcatechol3-tert-Butyl-5-methylcatecholME42450066095---
3Z,6Z,9Z,12Z,15Z-octadecapentaenoic acid-ME4245015312511---
4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol-ME424502136125637---
4-Vinylcyclohexene diepoxide-ME4245037833---
5(S)-HETE lactone-ME4245046439592---
6,8-nonadienal-ME42450560060292---
6-Paradol1-(4-Hydroxy-3-methoxyphenyl)-3-decanoneME4245065283342---
7beta-Hydroxy-lathyrol1-(4-Hydroxy-3-methoxyphenyl)-3-decanoneME42450794378---
C16 SphinganineC16 SphinganineME424508----
Carindone-ME424509101316738---
cis-1,2-dimethylcyclohexane-ME42451016628---
Cyrneine A-ME42451116628---
Diethyl Oxalpropionate4-Heptenal diethyl acetalME42451297750---
Discodermolide-ME424513643668---
Emmotin AEmmotin AME42451442608142---
EplerenoneEplerenoneME42451520779789---
GingerolGingerolME424516643668---
HaplophytineHaplophytineME424517442793---
HarderoporphyrinHaplophytineME424518442103---
(-)-Isoamijiol-ME42448913969915---
Nonoxynol-9Nonoxynol-9ME42451912401---
N-propyl α, α-dimethylarachidonoyl amineNonoxynol-9ME42452072385---
Onchidal-ME4245215283417---
Pheophorbide aPheophorbide aME424522253193---
Pirimiphos-methylPirimiphos-methylME42452334526---
Pyropheophorbide aPyropheophorbide aME42452434526---


Analysis: GC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,2-Benzenediol bis(trimethylsilyl) etherPyrocatecholME42452623688911---
1-Octadecyne-ME42452769425---
[2,2’-Bifuran]-3-carboxylic acid, 5’-methyl-, ...-ME424525609852---
26-Nor-5-cholesten-3á-ol-25-one-ME424528165617---
2-Heptyl-1,3-dioxolane-ME4245295363203---
2-Tridecanone2-TridecanoneME42453078067---
3,8,13,18-Tetraethyl-2,7,12,17-tetramethyl-7, 8-(d...2-TridecanoneME42453111622---
3-Methyl-1,2-diazirine-ME4245326420208---
4-Penten-2-one, 4-methyl--ME42453319543---
á Carotene-ME42453442608244---
Arachidonic acidArachidonic acidME4245355280489---
Ar-tumerone-ME424536558221---
Cholest-5-en-3-olCholesterolME424537101316738---
CholesterolCholesterolME4245385997---
Decanoic acid, ethyl ester-ME42453912000424---
Diisooctyl phthalateDiisooctyl phthalateME42454097750---
Hexadecanoic acid, ethyl esterEthyl hexadecanoateME4245413081462---
Molybdenum, bis[(1,2,3,4,5-ü)-1,3-bis(1,1-dimethy...-ME42454211986227---
n-Hexadecanoic acidPalmitic acidME424543628589---
Nickel tetracarbonyl-ME424544518772---
NonadecaneNonadecaneME42454512401---
Oxalic acid, cyclobutyl octadecyl ester-ME4245466441116---
Phenol, 2,4-bis(1,1-dimethylethyl)-ME424547528937---
Phenol, 2-methoxy-3-(2-propenyl)--ME424548596373---
PhytolPhytolME4245495280435---
Ribo-ribo disaccharidePyropheophorbide aME424550161456---
Silane, tetramethyl-ME4245516396---


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