Dataset

N-oleoyl-D-erythro-sphingosine; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N102026_9CB7 contains the MS2 mass spectrum of N-oleoyl-D-erythro-sphingosine with the InChIkey OBFSLMQLPNKVRW-RHPAUOISSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38-39H,3-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b18-17-,31-29+/t34-,35+/m0/s1
SMILES CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCC/C=C\CCCCCCCC)O
InChI Key OBFSLMQLPNKVRW-RHPAUOISSA-N
Molecular Formula C36H69NO3
Exact Mass 563.528 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-Antwerp_Univ-METOX_N102026_9CB7
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MetadataPublished 2022-04-09
Related Molecule
  • (Z)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octadec-9-enamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:77996 chebi
    LMSP02010003 lipidmaps
    29472488 surechembl
    5283563 pubchem
    KRA2G45XHQ fdasrs
    PD076262 probes_and_drugs
    111572 brenda
    180472 brenda
    242166 brenda
    84050 brenda
    HMDB0004948 hmdb
    Molport-046-426-452 molport
    The data in this table is sourced from UniChem at EBI.