Dataset

Linolenic acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81605 contains the MS mass spectrum of Linolenic acid with the InChIkey DTOSIQBPPRVQHS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)
SMILES CCC=CCC=CCC=CCCCCCCCC(=O)O
InChI Key DTOSIQBPPRVQHS-UHFFFAOYSA-N
Molecular Formula C18H30O2
Exact Mass 278.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81605
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:21:38.927145
MetadataModified 2025-02-09T20:11:15.044184
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID7075058 EPA CompTox Dashboard
CHEMBL3560296 ChEMBL
92583 ChEBI
HMDB0030964 Human Metabolome Database
LINENA CCDC
561341 eMolecules
MCULE-8042162865 Mcule
PD013580 ProbesDrugs
860 PubChem
The data in this table is sourced from UniChem at EBI.