Dataset

Sphingomyelin d18:2-C16:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT002386 contains the MS3 mass spectrum of Sphingomyelin d18:2-C16:0 with the InChIkey RYPRHPLEPBYJJE-SFDSNHFWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C39H77N2O6P/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/h22,24,30,32,37-38,42H,6-21,23,25-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b24-22+,32-30+/t37-,38+/m1/s1
SMILES C(CCCC)CCCCCCCCCCC(=O)NC(COP([O-1])(=O)OCC[N+1](C)(C)C)C(O)C=CCCC=CCCCCCCCCC
InChI Key RYPRHPLEPBYJJE-SFDSNHFWSA-N
Molecular Formula C39H77N2O6P
Exact Mass 700.552 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-UT002386
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:51.608332
MetadataModified 2024-01-11T12:46:51.765914
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134765663 PubChem
The data in this table is sourced from UniChem at EBI.