Dataset

Phosphatidylcholine 22:0-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT001065 contains the MS2 mass spectrum of Phosphatidylcholine 22:0-18:2 with the InChIkey WRWYRAWKRKLJLU-VTFKHGFOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h29,31,35,37,46H,6-28,30,32-34,36,38-45H2,1-5H3/b31-29-,37-35-
SMILES C(=CCCCCCCCCCC)CC=CCCC(OC(COP(OCC[N+1](C)(C)C)([O-1])=O)COC(CCCCCCCCCCCCCCCCCCCCC)=O)=O
InChI Key WRWYRAWKRKLJLU-VTFKHGFOSA-N
Molecular Formula C48H92NO8P
Exact Mass 841.656 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-UT001065
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:31.378642
MetadataModified 2024-01-11T12:49:31.525884
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134776903 PubChem
The data in this table is sourced from UniChem at EBI.