Dataset

Phosphatidylcholine 17:0-18:1 / 16:0-19:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT003125 contains the MS3 mass spectrum of Phosphatidylcholine 17:0-18:1 / 16:0-19:1 with the InChIkey DKJGMIGXHNBMND-SLIPDVOTSA-N.

Chemical Info

molecular Image
InChI InChI=1S/2C43H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2;1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h2*30,32,41H,6-29,31,33-40H2,1-5H3/b2*32-30-
SMILES CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\CCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\CCCCCCCCCCCCCC
InChI Key DKJGMIGXHNBMND-SLIPDVOTSA-N
Molecular Formula C86H168N2O16P2
Exact Mass 1547.187 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-UT003125
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:52:46.905378
MetadataModified 2025-02-09T08:58:40.768056
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134727003 PubChem
The data in this table is sourced from UniChem at EBI.