Dataset

Phosphatidylserine 18:0-22:5

This MassBank record with Accession MSBNK-Chubu_Univ-UT002965 contains the MS2 mass spectrum of Phosphatidylserine 18:0-22:5 with the InChIkey KMPUODCMAGXMDR-WZARRQHISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C46H80NO10P/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/h11,13,17,19,21-22,26,28,32,34,42-43H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,19-17-,22-21-,28-26-,34-32-
SMILES C(CC=CCC=CCCC(=O)OC(COC(CCCCCCCCCCCCCCCCC)=O)COP(O)(=O)OCC(N)C(O)=O)=CCC=CCC=CCCCCC
InChI Key KMPUODCMAGXMDR-WZARRQHISA-N
Molecular Formula C46H80NO10P
Exact Mass 837.552 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-UT002965
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:10.295380
MetadataModified 2024-01-11T12:48:10.447223
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134744335 PubChem
The data in this table is sourced from UniChem at EBI.