Dataset

Phosphatidylcholine alkyl 18:0-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001340 contains the MS2 mass spectrum of Phosphatidylcholine alkyl 18:0-18:1 with the InChIkey NQZXFMSISYRTSE-FPODKLOTSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H88NO7P/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/h31,33,43H,6-30,32,34-42H2,1-5H3/b33-31-
SMILES C(CCCOCC(OC(CCC=CCCCCCCCCCCCCC)=O)COP([O-1])(=O)OCC[N+1](C)(C)C)CCCCCCCCCCCCCC
InChI Key NQZXFMSISYRTSE-FPODKLOTSA-N
Molecular Formula C44H88NO7P
Exact Mass 773.630 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-UT001340
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:51:17.582888
MetadataModified 2025-02-09T08:58:59.157110
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134753346 PubChem
The data in this table is sourced from UniChem at EBI.