Dataset

Phosphatidylcholine alkyl 18:0-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT003058 contains the MS3 mass spectrum of Phosphatidylcholine alkyl 18:0-22:6 with the InChIkey QBZALASVZLFAHF-RRHSVIFUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-
SMILES C(CCCCCOCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP([O-1])(=O)OCC[N+1](C)(C)C)CCCCCCCCCCCC
InChI Key QBZALASVZLFAHF-RRHSVIFUSA-N
Molecular Formula C48H86NO7P
Exact Mass 819.614 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-UT003058
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:15.097277
MetadataModified 2024-01-11T12:49:15.247748
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
24779342 PubChem
The data in this table is sourced from UniChem at EBI.