Dataset

Sphingomyelin d18:0-C16:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT001258 contains the MS2 mass spectrum of Sphingomyelin d18:0-C16:0 with the InChIkey QHZIGNLCLJPLCU-AMAPPZPBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C39H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h37-38,42H,6-36H2,1-5H3,(H-,40,43,44,45)/t37-,38+/m1/s1
SMILES C(CC(O)C(COP([O-1])(=O)OCC[N+1](C)(C)C)NC(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCC
InChI Key QHZIGNLCLJPLCU-AMAPPZPBSA-N
Molecular Formula C39H81N2O6P
Exact Mass 704.583 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-UT001258
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:22.770198
MetadataModified 2024-01-11T12:46:22.937132
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134760890 PubChem
The data in this table is sourced from UniChem at EBI.