Dataset

Phosphatidylcholine alkyl 18:2-16:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT002082 contains the MS2 mass spectrum of Phosphatidylcholine alkyl 18:2-16:0 with the InChIkey UWMIPWPMIBUVJV-JSCMVKKRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h22,24,28,30,41H,6-21,23,25-27,29,31-40H2,1-5H3/b24-22-,30-28-
SMILES C(CCCCCC=CCC=CCCCOCC(OC(=O)CCCCCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)CCCC
InChI Key UWMIPWPMIBUVJV-JSCMVKKRSA-N
Molecular Formula C42H82NO7P
Exact Mass 743.583 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-UT002082
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:29.096901
MetadataModified 2024-01-11T12:49:29.250544
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134771927 PubChem
The data in this table is sourced from UniChem at EBI.