Dataset

Phosphatidylcholine alkenyl 18:1-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001690 contains the MS3 mass spectrum of Phosphatidylcholine alkenyl 18:1-18:1 with the InChIkey AESCCJYARVQUNT-JFFREXDCSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30-33,36,39,43H,6-29,34-35,37-38,40-42H2,1-5H3/b32-30-,33-31-,39-36+
SMILES O=C(OC(COP(OCC[N+1](C)(C)C)([O-1])=O)COC=CCC=CCCCCCCCCCCCCC)CCC=CCCCCCCCCCCCCC
InChI Key AESCCJYARVQUNT-JFFREXDCSA-N
Molecular Formula C44H84NO7P
Exact Mass 769.599 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-UT001690
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:00:41.493309
MetadataModified 2025-02-09T08:59:10.756200
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134717881 PubChem
The data in this table is sourced from UniChem at EBI.