Dataset

Sphingomyelin d18:2-C18:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT002471 contains the MS3 mass spectrum of Sphingomyelin d18:2-C18:0 with the InChIkey GCHHFAWECQPLHL-KCJNDVAJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C41H81N2O6P/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/h24,26,32,34,39-40,44H,6-23,25,27-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b26-24+,34-32+/t39-,40+/m1/s1
SMILES OC(C=CCCC=CCCCCCCCCC)C(COP([O-1])(=O)OCC[N+1](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCC
InChI Key GCHHFAWECQPLHL-KCJNDVAJSA-N
Molecular Formula C41H81N2O6P
Exact Mass 728.583 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-UT002471
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:21.520711
MetadataModified 2024-01-11T12:46:21.676741
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134731794 PubChem
The data in this table is sourced from UniChem at EBI.