Dataset

Ambroxol; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001852 contains the MS mass spectrum of Ambroxol with the InChIkey JBDGDEWWOUBZPM-XYPYZODXSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-
SMILES OC(C2)CCC(C2)NCc(c1)c(N)c(Br)cc(Br)1
InChI Key JBDGDEWWOUBZPM-XYPYZODXSA-N
Molecular Formula C13H18Br2N2O
Exact Mass 375.979 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-WA001852
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol51448(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HY-B1039 MedChemExpress
    DTXSID8022583 EPA CompTox Dashboard
    LSM-3260 LINCS
    FIYBEV CCDC
    DB06742 DrugBank
    147 DrugCentral
    135590 ChEBI
    J13.659J Nikkaji
    50395322 BindingDB
    AMBROXOL rxnorm
    AMBROXOL clinicaltrials
    CHEMBL153479 ChEMBL
    SCHEMBL18702 SureChEMBL
    MCULE-9463281275 Mcule
    71010 Brenda
    ZINC000100070274 ZINC
    CB9186114 ChemicalBook
    534810 eMolecules
    PD012068 ProbesDrugs
    14829200 PubChem: Thomson Pharma
    18683-91-5 ACToR
    200168S0CL FDA SRS
    The data in this table is sourced from UniChem at EBI.