Dataset

Phosphatidylglyceride 20:3-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT001217 contains the MS2 mass spectrum of Phosphatidylglyceride 20:3-22:6 with the InChIkey QVNMBAKBHHJIRP-GKYWKYGOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C48H77O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-48(52)58-46(44-57-59(53,54)56-42-45(50)41-49)43-55-47(51)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19-20,22-24,27-30,33-36,45-46,49-50H,3-4,6,8-10,12,14-16,18,21,25-26,31-32,37-44H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,23-20-,24-22-,29-27-,30-28-,35-33-,36-34-
SMILES OCC(COP(OCC(COC(=O)CCC=CCC=CCC=CCCCCCCCCC)OC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)(O)=O)O
InChI Key QVNMBAKBHHJIRP-GKYWKYGOSA-N
Molecular Formula C48H77O10P
Exact Mass 844.525 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-UT001217
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:01:01.994800
MetadataModified 2025-02-09T08:59:39.724608
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134762397 PubChem
The data in this table is sourced from UniChem at EBI.