Dataset

Myriocin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00774 contains the MS2 mass spectrum of Myriocin with the InChIkey ZZIKIHCNFWXKDY-GNTQXERDSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1
SMILES CCCCCCC(=O)CCCCCCC=CCC(O)C(O)C(N)(CO)C(O)=O
InChI Key ZZIKIHCNFWXKDY-GNTQXERDSA-N
Molecular Formula C21H39NO6
Exact Mass 401.278 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00774
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MetadataPublished 2016-01-19
Related Molecule
  • (E,2S,3R,4R)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:582124 chebi
    LMFA01060203 lipidmaps
    VRP rcsb_pdb
    CHEMBL55076 chembl
    6542261 surechembl
    6438394 pubchem
    PD020872 probes_and_drugs
    135417 brenda
    135554 brenda
    VRP - Ideal conformer pdbe
    YRM4E8R9ST fdasrs
    Molport-003-958-633 molport
    50461646 bindingdb
    The data in this table is sourced from UniChem at EBI.