Dataset

Phosphatidylserine 18:0-20:1 / 18:1-20:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT003168 contains the MS3 mass spectrum of Phosphatidylserine 18:0-20:1 / 18:1-20:0 with the InChIkey WMLWTLZCOCSYKV-LDZJKDEISA-N.

Chemical Info

molecular Image
InChI InChI=1S/2C44H84NO10P/c2*1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(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/h30,32,40-41H,3-29,31,33-39,45H2,1-2H3,(H,48,49)(H,50,51);29,31,40-41H,3-28,30,32-39,45H2,1-2H3,(H,48,49)(H,50,51)/b32-30-;31-29-
SMILES CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC/C=C\CCCCCCCCCCCCC)COP(=O)(O)OCC(C(=O)O)N.CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CC/C=C\CCCCCCCCCCCCCCC
InChI Key WMLWTLZCOCSYKV-LDZJKDEISA-N
Molecular Formula C88H168N2O20P2
Exact Mass 1635.167 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-UT003168
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:15.503683
MetadataModified 2024-01-11T12:49:15.665716
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134776357 PubChem
The data in this table is sourced from UniChem at EBI.