Dataset

LPC 18:1

This MassBank record with Accession MSBNK-RIKEN-PR309160 contains the MS2 mass spectrum of LPC 18:1 with the InChIkey YAMUFBLWGFFICM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3
SMILES O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC
InChI Key YAMUFBLWGFFICM-UHFFFAOYSA-N
Molecular Formula C26H52NO7P
Exact Mass 521.678 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-PR309160
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:48.936732
MetadataModified 2025-02-09T17:40:29.959147
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3082003 PubChem
36554351 eMolecules
PD023632 ProbesDrugs
MCULE-3490909447 Mcule
The data in this table is sourced from UniChem at EBI.