Dataset

FA 12:3+2O

This MassBank record with Accession MSBNK-RIKEN-PR310789 contains the MS2 mass spectrum of FA 12:3+2O with the InChIkey RZGFUGXQKMEMOO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)
SMILES O=C(O)CC1CCC(=O)C1(CC=CCCO)
InChI Key RZGFUGXQKMEMOO-UHFFFAOYSA-N
Molecular Formula C12H18O4
Exact Mass 226.272 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-PR310789
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:15:27.452656
MetadataModified 2025-02-09T18:32:14.490521
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
69604805 PubChem
The data in this table is sourced from UniChem at EBI.