Dataset

Phosphatidylglyceride 22:6-22:5

This MassBank record with Accession MSBNK-Chubu_Univ-UT001220 contains the MS2 mass spectrum of Phosphatidylglyceride 22:6-22:5 with the InChIkey XHLZURIDNJOINR-WBRRUXEESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C50H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(53)57-45-48(46-59-61(55,56)58-44-47(52)43-51)60-50(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,35-38,47-48,51-52H,3-4,6,8-10,15-16,21-22,27-28,33-34,39-46H2,1-2H3,(H,55,56)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-
SMILES C(C=CCC=CCC=CCC=CCC=CCCC(=O)OC(COP(O)(=O)OCC(O)CO)COC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)CCCC
InChI Key XHLZURIDNJOINR-WBRRUXEESA-N
Molecular Formula C50H77O10P
Exact Mass 868.525 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-UT001220
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:27.301623
MetadataModified 2024-01-11T12:46:27.497975
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134778488 PubChem
The data in this table is sourced from UniChem at EBI.