Dataset

Phosphatidylcholine alkyl 18:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT001814 contains the MS2 mass spectrum of Phosphatidylcholine alkyl 18:0-20:4 with the InChIkey VEJXVXTVFCQWMP-VROGFSTJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h16,18,22,24,27,29,33,35,45H,6-15,17,19-21,23,25-26,28,30-32,34,36-44H2,1-5H3/b18-16-,24-22-,29-27-,35-33-
SMILES C(CCCC=CCC=CCC=CCC=CCCC(OC(COP([O-1])(=O)OCC[N+1](C)(C)C)COCCCCCCCCCCCCCCCCCC)=O)CC
InChI Key VEJXVXTVFCQWMP-VROGFSTJSA-N
Molecular Formula C46H86NO7P
Exact Mass 795.614 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-UT001814
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:55.901314
MetadataModified 2024-01-11T12:46:56.053873
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134772756 PubChem
The data in this table is sourced from UniChem at EBI.