Dataset

Phosphatidylcholine 17:0-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT002288 contains the MS3 mass spectrum of Phosphatidylcholine 17:0-18:2 with the InChIkey OQJXXHSQJJIDBN-QIPJBBGZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h24,26,30,32,41H,6-23,25,27-29,31,33-40H2,1-5H3/b26-24-,32-30-
SMILES C(COP([O-1])(=O)OCC(OC(=O)CCC=CCC=CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)[N+1](C)(C)C
InChI Key OQJXXHSQJJIDBN-QIPJBBGZSA-N
Molecular Formula C43H82NO8P
Exact Mass 771.578 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-UT002288
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:01.161064
MetadataModified 2025-02-09T09:06:03.934234
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134756061 PubChem
The data in this table is sourced from UniChem at EBI.