Dataset

Phosphatidylcholine 16:1-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT002281 contains the MS3 mass spectrum of Phosphatidylcholine 16:1-18:1 with the InChIkey QNRBHVUJSHOYGI-BRMDCIMDSA-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/h28-31,40H,6-27,32-39H2,1-5H3/b30-28-,31-29-
SMILES O(CC(OC(=O)CCC=CCCCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)C(=O)CCC=CCCCCCCCCCCC
InChI Key QNRBHVUJSHOYGI-BRMDCIMDSA-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-UT002281
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:52.456564
MetadataModified 2025-02-09T08:59:33.595094
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134761553 PubChem
The data in this table is sourced from UniChem at EBI.