Dataset

Sphingomyelin d18:1-C20:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT002740 contains the MS2 mass spectrum of Sphingomyelin d18:1-C20:0 with the InChIkey AADLTHQNYQJHQV-XACAWUTQSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H87N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h34,36,41-42,46H,6-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b36-34+/t41-,42+/m1/s1
SMILES C(CCC)CCCCCCCCCC=CC(C(NC(=O)CCCCCCCCCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)O
InChI Key AADLTHQNYQJHQV-XACAWUTQSA-N
Molecular Formula C43H87N2O6P
Exact Mass 758.630 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-UT002740
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:16.637514
MetadataModified 2024-01-11T12:46:16.791475
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
13832229 PubChem
The data in this table is sourced from UniChem at EBI.