Dataset

LPE 18:2

This MassBank record with Accession MSBNK-RIKEN-PR309150 contains the MS2 mass spectrum of LPE 18:2 with the InChIkey DBHKHNGBVGWQJE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)
SMILES O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC
InChI Key DBHKHNGBVGWQJE-UHFFFAOYSA-N
Molecular Formula C23H44NO7P
Exact Mass 477.581 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-PR309150
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:32:07.895829
MetadataModified 2025-02-09T18:31:01.264519
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
75958059 PubChem
181325 ChEBI
The data in this table is sourced from UniChem at EBI.