Dataset

Phosphatidylcholine 16:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT001659 contains the MS3 mass spectrum of Phosphatidylcholine 16:0-20:4 with the InChIkey YRCYEVIWNSLKRF-RZUUUYDYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h16,18,21-22,25,27,31,33,42H,6-15,17,19-20,23-24,26,28-30,32,34-41H2,1-5H3/b18-16-,22-21-,27-25-,33-31-
SMILES C(CCCCCC)=CCC=CCC=CCC=CCCC(=O)OC(COP(OCC[N+1](C)(C)C)([O-1])=O)COC(CCCCCCCCCCCCCCC)=O
InChI Key YRCYEVIWNSLKRF-RZUUUYDYSA-N
Molecular Formula C44H80NO8P
Exact Mass 781.562 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-UT001659
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:58.701958
MetadataModified 2025-02-09T09:08:58.110953
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134782330 PubChem
The data in this table is sourced from UniChem at EBI.