Dataset

Phosphatidylcholine 18:0-22:5

This MassBank record with Accession MSBNK-Chubu_Univ-UT002305 contains the MS3 mass spectrum of Phosphatidylcholine 18:0-22:5 with the InChIkey GLPAGCOJQYNMCC-QBFOOBQRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,35,37,46H,6-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b16-14-,22-20-,25-24-,31-29-,37-35-
SMILES C(=CCC=CCCC(=O)OC(COC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+1](C)(C)C)([O-1])=O)CC=CCC=CCC=CCCCCC
InChI Key GLPAGCOJQYNMCC-QBFOOBQRSA-N
Molecular Formula C48H86NO8P
Exact Mass 835.609 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-UT002305
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:34.449935
MetadataModified 2024-01-11T12:49:34.609382
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
24778872 PubChem
The data in this table is sourced from UniChem at EBI.