Dataset

Sphingomyelin d18:0-C22:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT001626 contains the MS3 mass spectrum of Sphingomyelin d18:0-C22:0 with the InChIkey FONAXCRWZQFJHY-GWRSVMHXSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h43-44,48H,6-42H2,1-5H3,(H-,46,49,50,51)/t43-,44+/m1/s1
SMILES C(CCCCC(C(NC(=O)CCCCCCCCCCCCCCCCCCCCC)COP([O-1])(=O)OCC[N+1](C)(C)C)O)CCCCCCCCCC
InChI Key FONAXCRWZQFJHY-GWRSVMHXSA-N
Molecular Formula C45H93N2O6P
Exact Mass 788.677 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-UT001626
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:02.239822
MetadataModified 2024-01-11T12:47:02.433605
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134730289 PubChem
The data in this table is sourced from UniChem at EBI.