Dataset

Amikacin; LC-ESI-Q; MS; NEG; 60 V

This MassBank record with Accession MSBNK-Waters-WA000399 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-WA000399
Version
Author
Maintainer
Language
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
    37768 PubChem
    14886882 PubChem: Thomson Pharma
    60058691 NMRShiftDB
    PD010002 ProbesDrugs
    84319SGC3C FDA SRS
    AKN PDBe
    SCHEMBL2985 SureChEMBL
    37517-28-5 ACToR
    108914-65-4 ACToR
    LSM-5935 LINCS
    36519241 eMolecules
    HMDB0014622 Human Metabolome Database
    CB8146049 ChemicalBook
    PA164744372 PharmGKB
    1394 Brenda
    ZINC000008214483 ZINC
    amikacin DailyMed
    MCULE-6148260173 Mcule
    50237603 BindingDB
    AMIKACIN rxnorm
    AMIKACIN SULFATE rxnorm
    AMIKIN clinicaltrials
    ARIKAYCE clinicaltrials
    AMIKACIN SULFATE clinicaltrials
    BB-K8 clinicaltrials
    AMIKACIN DailyMed
    AMIKACIN clinicaltrials
    DTXSID3022586 EPA CompTox Dashboard
    157 DrugCentral
    J19.345C Nikkaji
    GABFOE CCDC
    10894 Guide to Pharmacology
    BAY 41-6551 clinicaltrials
    CHEMBL177 ChEMBL
    2637 ChEBI
    C06820 KEGG Ligand
    DB00479 DrugBank
    The data in this table is sourced from UniChem at EBI.