Dataset

Sphingomyelin d18:1-C19:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT002377 contains the MS3 mass spectrum of Sphingomyelin d18:1-C19:0 with the InChIkey HAFQHLHNPJDAGB-NHBQNDNNSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-36-42(46)43-40(39-50-51(47,48)49-38-37-44(3,4)5)41(45)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h33,35,40-41,45H,6-32,34,36-39H2,1-5H3,(H-,43,46,47,48)/b35-33+/t40-,41+/m1/s1
SMILES C(CCC)CCCCCCCCCC=CC(C(NC(=O)CCCCCCCCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)O
InChI Key HAFQHLHNPJDAGB-NHBQNDNNSA-N
Molecular Formula C42H85N2O6P
Exact Mass 744.615 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-UT002377
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:54:12.168313
MetadataModified 2025-02-09T09:01:51.996051
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134734367 PubChem
The data in this table is sourced from UniChem at EBI.