Dataset

Sphingomyelin d18:1-C17:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT001730 contains the MS3 mass spectrum of Sphingomyelin d18:1-C17:0 with the InChIkey YMQZQHIESOAPQH-QSTWNKESSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/b33-31+/t38-,39+/m1/s1
SMILES C(CCCCCCC(=O)NC(C(C=CCCCCCCCCCCCCC)O)COP([O-1])(=O)OCC[N+1](C)(C)C)CCCCCCCCC
InChI Key YMQZQHIESOAPQH-QSTWNKESSA-N
Molecular Formula C40H81N2O6P
Exact Mass 716.583 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-UT001730
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:02.909103
MetadataModified 2024-01-11T12:49:03.062277
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134781815 PubChem
The data in this table is sourced from UniChem at EBI.