Dataset

Sphingomyelin d18:1-C24:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001275 contains the MS2 mass spectrum of Sphingomyelin d18:1-C24:1 with the InChIkey RKEMFFRZTRUUOF-UQSBNWTPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h35,37-38,40,45-46,50H,6-34,36,39,41-44H2,1-5H3,(H-,48,51,52,53)/b37-35-,40-38+/t45-,46+/m1/s1
SMILES N(C(=O)CCC=CCCCCCCCCCCCCCCCCCCC)C(COP(OCC[N+1](C)(C)C)([O-1])=O)C(C=CCCCCCCCCCCCCC)O
InChI Key RKEMFFRZTRUUOF-UQSBNWTPSA-N
Molecular Formula C47H93N2O6P
Exact Mass 812.677 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-UT001275
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:43.847950
MetadataModified 2024-01-11T12:46:44.031422
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134764080 PubChem
The data in this table is sourced from UniChem at EBI.