Dataset

Sphingomyelin d18:1-C21:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT001269 contains the MS2 mass spectrum of Sphingomyelin d18:1-C21:0 with the InChIkey YXSZOBWVQJIWNE-LUJNSPTCSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b37-35+/t42-,43+/m1/s1
SMILES C(CCCCCCCCC=CC(O)C(NC(CCCCCCCCCCCCCCCCCCCC)=O)COP([O-1])(=O)OCC[N+1](C)(C)C)CCCC
InChI Key YXSZOBWVQJIWNE-LUJNSPTCSA-N
Molecular Formula C44H89N2O6P
Exact Mass 772.646 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-UT001269
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:22.347377
MetadataModified 2024-01-11T12:46:22.509479
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134783033 PubChem
The data in this table is sourced from UniChem at EBI.