Dataset

Phosphatidylcholine 18:1-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001678 contains the MS3 mass spectrum of Phosphatidylcholine 18:1-18:1 with the InChIkey CTNCUXPCGXYRIB-UOALMSBLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30-33,42H,6-29,34-41H2,1-5H3/b32-30-,33-31-
SMILES C(CCCCCCCCC)CCCC=CCCC(OC(COC(=O)CCC=CCCCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)=O
InChI Key CTNCUXPCGXYRIB-UOALMSBLSA-N
Molecular Formula C44H84NO8P
Exact Mass 785.593 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-UT001678
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:45.891094
MetadataModified 2024-01-11T12:46:46.058326
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134725171 PubChem
The data in this table is sourced from UniChem at EBI.