Dataset

Phosphatidylcholine 15:0-18:1 / 16:0-17:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT002271 contains the MS3 mass spectrum of Phosphatidylcholine 15:0-18:1 / 16:0-17:1 with the InChIkey BZYSAXDHGHUZBC-NTICDTFDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/2C41H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2;1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h2*28,30,39H,6-27,29,31-38H2,1-5H3/b2*30-28-
SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\CCCCCCCCCCCC.CCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\CCCCCCCCCCCCC
InChI Key BZYSAXDHGHUZBC-NTICDTFDSA-N
Molecular Formula C82H160N2O16P2
Exact Mass 1491.124 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-UT002271
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:47.549460
MetadataModified 2024-01-11T12:46:47.717250
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134723039 PubChem
The data in this table is sourced from UniChem at EBI.