Dataset

Phosphatidylserine 18:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT001994 contains the MS2 mass spectrum of Phosphatidylserine 18:0-20:4 with the InChIkey AENVCOSUVDLDFA-NQWSYULSSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,19-20,24,26,30,32,40-41H,3-12,14,16-18,21-23,25,27-29,31,33-39,45H2,1-2H3,(H,48,49)(H,50,51)/b15-13-,20-19-,26-24-,32-30-
SMILES C(CCCCCC)=CCC=CCC=CCC=CCCC(OC(COC(CCCCCCCCCCCCCCCCC)=O)COP(OCC(C(O)=O)N)(O)=O)=O
InChI Key AENVCOSUVDLDFA-NQWSYULSSA-N
Molecular Formula C44H78NO10P
Exact Mass 811.536 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-UT001994
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:58.356080
MetadataModified 2024-01-11T12:49:58.501730
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134717862 PubChem
The data in this table is sourced from UniChem at EBI.