Dataset

Sphingomyelin d18:2-C22:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT003105 contains the MS3 mass spectrum of Sphingomyelin d18:2-C22:0 with the InChIkey UCLWWTCDZKLHGY-HHQXBTLRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H89N2O6P/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/h28,30,36,38,43-44,48H,6-27,29,31-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b30-28+,38-36+/t43-,44+/m1/s1
SMILES C(=CCCC=CC(C(COP(OCC[N+1](C)(C)C)([O-1])=O)NC(CCCCCCCCCCCCCCCCCCCCC)=O)O)CCCCCCCCC
InChI Key UCLWWTCDZKLHGY-HHQXBTLRSA-N
Molecular Formula C45H89N2O6P
Exact Mass 784.646 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-UT003105
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:58.694563
MetadataModified 2024-01-11T12:46:58.848189
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134769680 PubChem
The data in this table is sourced from UniChem at EBI.