Dataset

Phosphatidylserine 18:1-20:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT003174 contains the MS3 mass spectrum of Phosphatidylserine 18:1-20:1 with the InChIkey UMRYHDWSNOYCRM-UOALMSBLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H84NO9P/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/h30-33,42-43H,4-29,34-40,46H2,1-3H3,(H,50,51)/b32-30-,33-31-
SMILES C(CCCCCCCC)CCCCC=CCCC(=O)OCC(OC(CCC=CCCCCCCCCCCCCCCC)=O)COP(OCC(N)C(C)=O)(O)=O
InChI Key UMRYHDWSNOYCRM-UOALMSBLSA-N
Molecular Formula C45H84NO9P
Exact Mass 813.588 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-UT003174
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:27.932689
MetadataModified 2024-01-11T12:47:28.090110
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134770853 PubChem
The data in this table is sourced from UniChem at EBI.