Dataset

Phosphatidylcholine 14:0-18:2 / 16:1-16:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT003108 contains the MS3 mass spectrum of Phosphatidylcholine 14:0-18:2 / 16:1-16:1 with the InChIkey HFTBSDQGHFZXHL-DAZNOVPZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/2C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2;1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,27,29,38H,6-20,22,24-26,28,30-37H2,1-5H3;26-29,38H,6-25,30-37H2,1-5H3/b23-21-,29-27-;28-26-,29-27-
SMILES CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\CCCCCCCCCC.CCCCCCCCCCC/C=C\CCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\CCCCCCCCCCC
InChI Key HFTBSDQGHFZXHL-DAZNOVPZSA-N
Molecular Formula C80H152N2O16P2
Exact Mass 1459.062 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-UT003108
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:51:00.469692
MetadataModified 2025-02-09T08:59:42.656035
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134734954 PubChem
The data in this table is sourced from UniChem at EBI.