Dataset

Phosphatidylcholine 19:0-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT001794 contains the MS2 mass spectrum of Phosphatidylcholine 19:0-18:2 with the InChIkey BESSFRQTRGTUBA-XJKRCVSZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h26,28,32,34,43H,6-25,27,29-31,33,35-42H2,1-5H3/b28-26-,34-32-
SMILES C(CCCCCCCCCCCC(=O)OCC(COP(OCC[N+1](C)(C)C)([O-1])=O)OC(=O)CCC=CCC=CCCCCCCCCCC)CCCCCC
InChI Key BESSFRQTRGTUBA-XJKRCVSZSA-N
Molecular Formula C45H86NO8P
Exact Mass 799.609 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-UT001794
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:08.321857
MetadataModified 2024-01-11T12:47:08.468463
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134720664 PubChem
The data in this table is sourced from UniChem at EBI.