Dataset

Sphingomyelin d18:1-C23:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT001272 contains the MS2 mass spectrum of Sphingomyelin d18:1-C23:0 with the InChIkey SXZWBNWTCVLZJN-ZIHSGIAZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C46H93N2O6P/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/h37,39,44-45,49H,6-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b39-37+/t44-,45+/m1/s1
SMILES C(CCCCCCCCCCCCCCC)CCCCCCC(=O)NC(COP([O-1])(=O)OCC[N+1](C)(C)C)C(C=CCCCCCCCCCCCCC)O
InChI Key SXZWBNWTCVLZJN-ZIHSGIAZSA-N
Molecular Formula C46H93N2O6P
Exact Mass 800.677 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-UT001272
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:00.436070
MetadataModified 2024-01-11T12:47:00.592514
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134768520 PubChem
The data in this table is sourced from UniChem at EBI.