Dataset

Sphingomyelin d18:2-C23:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT002389 contains the MS3 mass spectrum of Sphingomyelin d18:2-C23:0 with the InChIkey PENYJGUXTJATDH-FKOSZORSSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C46H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h29,31,37,39,44-45,49H,6-28,30,32-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b31-29+,39-37+/t44-,45+/m1/s1
SMILES C(CCCCCCCCCCCCCCC)CCCCCCC(NC(C(C=CCCC=CCCCCCCCCC)O)COP([O-1])(=O)OCC[N+1](C)(C)C)=O
InChI Key PENYJGUXTJATDH-FKOSZORSSA-N
Molecular Formula C46H91N2O6P
Exact Mass 798.661 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-UT002389
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:17.559580
MetadataModified 2024-01-11T12:49:17.710073
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134757653 PubChem
The data in this table is sourced from UniChem at EBI.