Dataset

Phosphatidylserine 18:1-22:0 / 20:0-20:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001722 contains the MS3 mass spectrum of Phosphatidylserine 18:1-22:0 / 20:0-20:1 with the InChIkey WBTDLXIGWITFGC-XHNVSXGKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/2C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33,42-43H,3-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53);32,34,42-43H,3-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b33-31-;34-32-
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC=CCCCCCCCCCCCCC)COP(=O)(O)OCC(C(=O)O)N.CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCC=CCCCCCCCCCCCCCCC
InChI Key WBTDLXIGWITFGC-XHNVSXGKSA-N
Molecular Formula C92H176N2O20P2
Exact Mass 1691.229 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-UT001722
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:17.027969
MetadataModified 2024-01-11T12:47:17.191596
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134775206 PubChem
The data in this table is sourced from UniChem at EBI.