Dataset

Phosphatidylcholine 16:0-18:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT001290 contains the MS2 mass spectrum of Phosphatidylcholine 16:0-18:0 with the InChIkey PZNPLUBHRSSFHT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H84NO8P/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/h40H,6-39H2,1-5H3
SMILES O=C(OCC(COP(OCC[N+1](C)(C)C)([O-1])=O)OC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChI Key PZNPLUBHRSSFHT-UHFFFAOYSA-N
Molecular Formula C42H84NO8P
Exact Mass 761.593 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-UT001290
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:53:48.616314
MetadataModified 2025-02-09T09:00:11.170052
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10147142 PubChem
36905483 eMolecules
15138248 PubChem: Thomson Pharma
CB7875799 ChemicalBook
The data in this table is sourced from UniChem at EBI.