Dataset

Phosphatidylserine 18:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT003083 contains the MS3 mass spectrum of Phosphatidylserine 18:0-20:4 with the InChIkey UHQHERSAEGFPRM-VKFKURHUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H80NO9P/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/h14,16,20-21,25,27,31,33,42-43H,4-13,15,17-19,22-24,26,28-30,32,34-40,46H2,1-3H3,(H,50,51)/b16-14-,21-20-,27-25-,33-31-
SMILES C(CCCCCC)=CCC=CCC=CCC=CCCC(OC(COC(CCCCCCCCCCCCCCCCC)=O)COP(O)(=O)OCC(N)C(C)=O)=O
InChI Key UHQHERSAEGFPRM-VKFKURHUSA-N
Molecular Formula C45H80NO9P
Exact Mass 809.557 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-UT003083
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:55:03.462816
MetadataModified 2025-02-09T09:01:22.534428
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134770305 PubChem
The data in this table is sourced from UniChem at EBI.