Dataset

Phosphatidylcholine alkenyl 16:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT001688 contains the MS3 mass spectrum of Phosphatidylcholine alkenyl 16:0-20:4 with the InChIkey WPFUZBNWEKXHJI-TUJGGYRWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H80NO7P/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/h16,18,22-23,25,27,31,33,36,39,43H,6-15,17,19-21,24,26,28-30,32,34-35,37-38,40-42H2,1-5H3/b18-16-,23-22-,27-25-,33-31-,39-36+
SMILES C(CCCCCC)=CCC=CCC=CCC=CCCC(OC(COP(OCC[N+1](C)(C)C)([O-1])=O)COC=CCCCCCCCCCCCCCC)=O
InChI Key WPFUZBNWEKXHJI-TUJGGYRWSA-N
Molecular Formula C44H80NO7P
Exact Mass 765.567 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-UT001688
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:57.470837
MetadataModified 2024-01-11T12:46:57.633183
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134776625 PubChem
The data in this table is sourced from UniChem at EBI.