Dataset

Phosphatidylcholine 17:0-20:3

This MassBank record with Accession MSBNK-Chubu_Univ-UT002503 contains the MS2 mass spectrum of Phosphatidylcholine 17:0-20:3 with the InChIkey WONILIINQKCSNA-XXLZVXFVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h22-23,26,28,32,34,43H,6-21,24-25,27,29-31,33,35-42H2,1-5H3/b23-22-,28-26-,34-32-
SMILES C(CCCCCC)CCCCCCCCCC(=O)OCC(COP(OCC[N+1](C)(C)C)([O-1])=O)OC(CCC=CCC=CCC=CCCCCCCCCC)=O
InChI Key WONILIINQKCSNA-XXLZVXFVSA-N
Molecular Formula C45H84NO8P
Exact Mass 797.593 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-UT002503
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:12.827215
MetadataModified 2024-01-11T12:47:12.973977
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134776554 PubChem
The data in this table is sourced from UniChem at EBI.