Dataset

(Z,Z,Z)-9,12,15-OCTADECATRIENOIC ACID METHYL ESTER

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005358 contains the MS mass spectrum of (Z,Z,Z)-9,12,15-OCTADECATRIENOIC ACID METHYL ESTER with the InChIkey DVWSXZIHSUZZKJ-YSTUJMKBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
SMILES CCC([H])=C([H])CC([H])=C([H])CC([H])=C([H])CCCCCCCC(=O)OC
InChI Key DVWSXZIHSUZZKJ-YSTUJMKBSA-N
Molecular Formula C19H32O2
Exact Mass 292.240 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005358
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:25:56.843281
MetadataModified 2025-02-09T12:50:27.118903
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14849238 PubChem: Thomson Pharma
60019132 NMRShiftDB
0S1NS923K6 FDA SRS
5319706 PubChem
PD044037 ProbesDrugs
524838 eMolecules
ZINC000012405245 ZINC
CB5422197 ChemicalBook
MTBLC133634 Metabolights
SCHEMBL55951 SureChEMBL
133634 ChEBI
HY-21268 MedChemExpress
J391C Nikkaji
DTXSID5041560 EPA CompTox Dashboard
CHEMBL1172198 ChEMBL
The data in this table is sourced from UniChem at EBI.