Dataset

Phosphatidylserine 16:0-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT001613 contains the MS3 mass spectrum of Phosphatidylserine 16:0-22:6 with the InChIkey HTXYKPHVQINTDU-ZLLJYNJXSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H76NO9P/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-45(49)55-42(39-53-56(50,51)54-40-43(46)41(3)47)38-52-44(48)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2/h6,8,12,14,18-19,21-22,25,27,31,33,42-43H,4-5,7,9-11,13,15-17,20,23-24,26,28-30,32,34-40,46H2,1-3H3,(H,50,51)/b8-6-,14-12-,19-18-,22-21-,27-25-,33-31-
SMILES C(CC)=CCC=CCC=CCC=CCC=CCC=CCCC(OC(COC(CCCCCCCCCCCCCCC)=O)COP(O)(=O)OCC(N)C(C)=O)=O
InChI Key HTXYKPHVQINTDU-ZLLJYNJXSA-N
Molecular Formula C45H76NO9P
Exact Mass 805.526 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-UT001613
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:50.408637
MetadataModified 2024-01-11T12:46:50.572057
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134736575 PubChem
The data in this table is sourced from UniChem at EBI.