Dataset

FA 18:2+2O

This MassBank record with Accession MSBNK-RIKEN-PR309096 contains the MS2 mass spectrum of FA 18:2+2O with the InChIkey JGUNZIWGNMQSBM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)
SMILES O=C(O)CCCCCCCC(OO)C=CC=CCCCCC
InChI Key JGUNZIWGNMQSBM-UHFFFAOYSA-N
Molecular Formula C18H32O4
Exact Mass 312.450 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-RIKEN-PR309096
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:38:55.472033
MetadataModified 2024-01-11T20:38:55.631447
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1928 PubChem
HMDB0242602 Human Metabolome Database
PD049744 ProbesDrugs
The data in this table is sourced from UniChem at EBI.