Dataset

Cer[NS] d42:4; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN_IMS-LQB00061 contains the MS2 mass spectrum of Cer[NS] d42:4 with the InChIkey QMPJMPWWIPZEKC-AREXDUQASA-N.

Chemical Information

molecular Image
InChI InChI=1S/C42H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h5,7,11,13,27,29,35,37,40-41,44-45H,3-4,6,8-10,12,14-26,28,30-34,36,38-39H2,1-2H3,(H,43,46)/b7-5-,13-11-,29-27+,37-35+
SMILES CCCCCCCCC\C=C\CC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCC\C=C/C\C=C/CC
InChI Key QMPJMPWWIPZEKC-AREXDUQASA-N
Molecular Formula C42H77NO3
Exact Mass 644.082 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_IMS-LQB00061
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MetadataPublished 2016-10-03
Related Molecule
  • (18Z,21Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]tetracosa-18,21-dienamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138245482 pubchem
    The data in this table is sourced from UniChem at EBI.