Dataset

Phosphatidylcholine alkyl 16:1-20:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT002807 contains the MS2 mass spectrum of Phosphatidylcholine alkyl 16:1-20:1 with the InChIkey DFWVDDDXFIDKMC-UOALMSBLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h30-33,43H,6-29,34-42H2,1-5H3/b32-30-,33-31-
SMILES O(CC[N+1](C)(C)C)P([O-1])(=O)OCC(OC(CCC=CCCCCCCCCCCCCCCC)=O)COCCCC=CCCCCCCCCCCC
InChI Key DFWVDDDXFIDKMC-UOALMSBLSA-N
Molecular Formula C44H86NO7P
Exact Mass 771.614 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-UT002807
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:15.896913
MetadataModified 2024-01-11T12:49:16.045734
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134726519 PubChem
The data in this table is sourced from UniChem at EBI.