Dataset

Phosphatidylserine 22:6-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT001726 contains the MS3 mass spectrum of Phosphatidylserine 22:6-22:6 with the InChIkey ARONXAQUMBWVBY-YVRWGPLWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C51H76NO9P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-50(54)58-44-48(45-59-62(56,57)60-46-49(52)47(3)53)61-51(55)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6-9,12-15,18-21,24-27,30-33,36-39,48-49H,4-5,10-11,16-17,22-23,28-29,34-35,40-46,52H2,1-3H3,(H,56,57)/b8-6-,9-7-,14-12-,15-13-,20-18-,21-19-,26-24-,27-25-,32-30-,33-31-,38-36-,39-37-
SMILES C(C=CCC=CCCC(OC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(OCC(N)C(C)=O)(O)=O)=O)C=CCC=CCC=CCC=CCC
InChI Key ARONXAQUMBWVBY-YVRWGPLWSA-N
Molecular Formula C51H76NO9P
Exact Mass 877.526 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-UT001726
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:00:40.707732
MetadataModified 2025-02-09T09:00:19.455834
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134719273 PubChem
The data in this table is sourced from UniChem at EBI.