Dataset

Phosphatidylserine 18:1-20:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001504 contains the MS2 mass spectrum of Phosphatidylserine 18:1-20:1 with the InChIkey OHVPXIJWGQXNSY-SZDCHMHBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H82NO10P/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/h29-32,40-41H,3-28,33-39,45H2,1-2H3,(H,48,49)(H,50,51)/b31-29-,32-30-
SMILES C(CCCCCCCC)CCCCC=CCCC(OCC(OC(CCC=CCCCCCCCCCCCCCCC)=O)COP(OCC(C(O)=O)N)(O)=O)=O
InChI Key OHVPXIJWGQXNSY-SZDCHMHBSA-N
Molecular Formula C44H82NO10P
Exact Mass 815.568 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-UT001504
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:55:30.706426
MetadataModified 2025-02-09T09:00:11.489174
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134755189 PubChem
The data in this table is sourced from UniChem at EBI.