Dataset

Sphingomyelin d18:1-C18:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT002978 contains the MS2 mass spectrum of Sphingomyelin d18:1-C18:0 with the InChIkey LKQLRGMMMAHREN-GDBDMVKWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b34-32+/t39-,40+/m1/s1
SMILES C(=CC(C(COP([O-1])(=O)OCC[N+1](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCC)O)CCCCCCCCCCCCC
InChI Key LKQLRGMMMAHREN-GDBDMVKWSA-N
Molecular Formula C41H83N2O6P
Exact Mass 730.599 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-UT002978
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:20.623110
MetadataModified 2024-01-11T12:49:20.769550
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
13832223 PubChem
The data in this table is sourced from UniChem at EBI.