Dataset

N-palmitoyl-D-erythro-sphinganine; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Cl]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N104044_CB20 contains the MS2 mass spectrum of N-palmitoyl-D-erythro-sphinganine with the InChIkey GCGTXOVNNFGTPQ-JHOUSYSJSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C34H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)/t32-,33+/m0/s1
SMILES CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC)O
InChI Key GCGTXOVNNFGTPQ-JHOUSYSJSA-N
Molecular Formula C34H69NO3
Exact Mass 539.528 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N104044_CB20
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MetadataPublished 2022-04-09
Related Molecule
  • N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexadecanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    CHEBI:67042 chebi
    LMSP02020001 lipidmaps
    1479054 surechembl
    5283572 pubchem
    PD076139 probes_and_drugs
    128128 brenda
    242172 brenda
    35691 brenda
    HMDB0011760 hmdb
    Molport-003-845-718 molport
    The data in this table is sourced from UniChem at EBI.