Dataset

Phosphatidylcholine 20:0-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT002794 contains the MS2 mass spectrum of Phosphatidylcholine 20:0-18:1 with the InChIkey MIVBFINNAAGALQ-OAPYJULQSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h33,35,44H,6-32,34,36-43H2,1-5H3/b35-33-
SMILES C(CCCCCCCCCCCC)C=CCCC(OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)=O
InChI Key MIVBFINNAAGALQ-OAPYJULQSA-N
Molecular Formula C46H90NO8P
Exact Mass 815.640 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-UT002794
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:03:42.648047
MetadataModified 2025-02-09T08:59:37.059360
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134749614 PubChem
The data in this table is sourced from UniChem at EBI.