Dataset

Phosphatidylcholine alkenyl 16:0-16:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT002069 contains the MS2 mass spectrum of Phosphatidylcholine alkenyl 16:0-16:0 with the InChIkey PEWXKAOBUSBJLD-LVYIWIAJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/b35-32+
SMILES C(CCCCCCCCCCCCC=COCC(COP([O-1])(=O)OCC[N+1](C)(C)C)OC(=O)CCCCCCCCCCCCCCC)C
InChI Key PEWXKAOBUSBJLD-LVYIWIAJSA-N
Molecular Formula C40H80NO7P
Exact Mass 717.567 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-UT002069
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:59:23.725677
MetadataModified 2025-02-09T09:00:17.923974
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134757696 PubChem
The data in this table is sourced from UniChem at EBI.