Dataset

Amikacin; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA000391 contains the MS mass spectrum of Amikacin with the InChIkey LKCWBDHBTVXHDL-RMDFUYIESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1
SMILES NCCC(O)C(=O)NC(C1)C(OC(O3)C(O)C(N)C(O)C(CO)3)C(O)C(OC(O2)C(O)C(O)C(O)C(CN)2)C(N)1
InChI Key LKCWBDHBTVXHDL-RMDFUYIESA-N
Molecular Formula C22H43N5O13
Exact Mass 585.286 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-Waters-WA000391
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00479 drugbank
    CHEBI:2637 chebi
    AKN rcsb_pdb
    CHEMBL177 chembl
    2985 surechembl
    37768 pubchem
    84319SGC3C fdasrs
    PD010002 probes_and_drugs
    GABFOE CCDC
    1394 brenda
    178950 brenda
    HMDB0014622 hmdb
    197795 bindingdb
    50739560 bindingdb
    50772425 bindingdb
    50773528 bindingdb
    50775068 bindingdb
    50777280 bindingdb
    157 drugcentral
    The data in this table is sourced from UniChem at EBI.