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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Maintainer
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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
    35891-70-4 ACToR
    PD020872 ProbesDrugs
    70049721 NMRShiftDB
    14805891 PubChem: Thomson Pharma
    14854821 PubChem: Thomson Pharma
    6438394 PubChem
    31240799 eMolecules
    591568 eMolecules
    ZINC000005782527 ZINC
    MTBLC582124 Metabolights
    135554 Brenda
    135417 Brenda
    SCHEMBL6542261 SureChEMBL
    YRM4E8R9ST FDA SRS
    J19.020I Nikkaji
    6664 Guide to Pharmacology
    LMFA01060203 LipidMaps
    DTXSID9046360 EPA CompTox Dashboard
    HY-N6798 MedChemExpress
    VRP PDBe
    CB0207522 ChemicalBook
    50461646 BindingDB
    582124 ChEBI
    87550945 PubChem: Drugs of the Future
    CHEMBL55076 ChEMBL
    The data in this table is sourced from UniChem at EBI.