Dataset

Phosphatidylcholine 16:0-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT001751 contains the MS2 mass spectrum of Phosphatidylcholine 16:0-18:2 with the InChIkey PWJTWIQVMHNOLN-WGPKDLKGSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H80NO8P/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/h23,25,29,31,40H,6-22,24,26-28,30,32-39H2,1-5H3/b25-23-,31-29-
SMILES C(COP([O-1])(=O)OCC(OC(=O)CCC=CCC=CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)[N+1](C)(C)C
InChI Key PWJTWIQVMHNOLN-WGPKDLKGSA-N
Molecular Formula C42H80NO8P
Exact Mass 757.562 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-UT001751
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:06.073527
MetadataModified 2024-01-11T12:47:06.230021
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134759603 PubChem
The data in this table is sourced from UniChem at EBI.