Dataset

Phosphatidylserine 18:0-20:5

This MassBank record with Accession MSBNK-Chubu_Univ-UT001619 contains the MS3 mass spectrum of Phosphatidylserine 18:0-20:5 with the InChIkey APKRXSJWVBFXCI-SQEBLUTFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H78NO9P/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-37-45(49)55-42(39-53-56(50,51)54-40-43(46)41(3)47)38-52-44(48)36-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h8,10,14,16,20-21,25,27,31,33,42-43H,4-7,9,11-13,15,17-19,22-24,26,28-30,32,34-40,46H2,1-3H3,(H,50,51)/b10-8-,16-14-,21-20-,27-25-,33-31-
SMILES C(N)(C(C)=O)COP(O)(=O)OCC(COC(CCCCCCCCCCCCCCCCC)=O)OC(CCC=CCC=CCC=CCC=CCC=CCCC)=O
InChI Key APKRXSJWVBFXCI-SQEBLUTFSA-N
Molecular Formula C45H78NO9P
Exact Mass 807.541 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-UT001619
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:32.095642
MetadataModified 2024-01-11T12:49:32.279580
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134719023 PubChem
The data in this table is sourced from UniChem at EBI.