Dataset

Phosphatidylcholine alkyl 16:0-22:5

This MassBank record with Accession MSBNK-Chubu_Univ-UT001810 contains the MS2 mass spectrum of Phosphatidylcholine alkyl 16:0-22:5 with the InChIkey JMQLAFWVISATAG-PEUCRCJUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,27,29,33,35,45H,6-13,15,17-19,21,23,26,28,30-32,34,36-44H2,1-5H3/b16-14-,22-20-,25-24-,29-27-,35-33-
SMILES C(CCOCC(COP([O-1])(=O)OCC[N+1](C)(C)C)OC(CCC=CCC=CCC=CCC=CCC=CCCCCC)=O)CCCCCCCCCCCCC
InChI Key JMQLAFWVISATAG-PEUCRCJUSA-N
Molecular Formula C46H84NO7P
Exact Mass 793.599 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-UT001810
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:00:56.751234
MetadataModified 2025-02-09T09:01:48.144993
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134741509 PubChem
The data in this table is sourced from UniChem at EBI.