Dataset

Phosphatidylcholine 15:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT001007 contains the MS2 mass spectrum of Phosphatidylcholine 15:0-20:4 with the InChIkey CLOJCJSOXWBGTM-BSBLZQCJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h16,18,21-22,24,26,30,32,41H,6-15,17,19-20,23,25,27-29,31,33-40H2,1-5H3/b18-16-,22-21-,26-24-,32-30-
SMILES C(COP([O-1])(=O)OCC(OC(=O)CCC=CCC=CCC=CCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCC)[N+1](C)(C)C
InChI Key CLOJCJSOXWBGTM-BSBLZQCJSA-N
Molecular Formula C43H78NO8P
Exact Mass 767.547 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-Chubu_Univ-UT001007
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:56:18.886216
MetadataModified 2025-02-09T08:59:23.407599
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134724308 PubChem
The data in this table is sourced from UniChem at EBI.