Dataset

Phosphatidylcholine alkyl 16:0-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT002803 contains the MS2 mass spectrum of Phosphatidylcholine alkyl 16:0-18:1 with the InChIkey KFLBTRVMABAQOU-YCNYHXFESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h29,31,41H,6-28,30,32-40H2,1-5H3/b31-29-
SMILES C[N+1](C)(C)CCOP(OCC(OC(=O)CCC=CCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC)([O-1])=O
InChI Key KFLBTRVMABAQOU-YCNYHXFESA-N
Molecular Formula C42H84NO7P
Exact Mass 745.599 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-UT002803
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:08.775978
MetadataModified 2024-01-11T12:48:08.932585
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134743552 PubChem
The data in this table is sourced from UniChem at EBI.