Dataset

Phosphatidylcholine 16:1-18:3

This MassBank record with Accession MSBNK-Chubu_Univ-UT001025 contains the MS2 mass spectrum of Phosphatidylcholine 16:1-18:3 with the InChIkey XIVMVZLGWNNXST-DGUBAHAQSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h18,20,23,25,28-31,40H,6-17,19,21-22,24,26-27,32-39H2,1-5H3/b20-18-,25-23-,30-28-,31-29-
SMILES C(COC(=O)CCC=CCCCCCCCCCCC)(COP(OCC[N+1](C)(C)C)([O-1])=O)OC(=O)CCC=CCC=CCC=CCCCCCCC
InChI Key XIVMVZLGWNNXST-DGUBAHAQSA-N
Molecular Formula C42H76NO8P
Exact Mass 753.531 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-UT001025
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:31.881394
MetadataModified 2024-01-11T12:47:32.028443
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134778634 PubChem
The data in this table is sourced from UniChem at EBI.