Dataset

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

This MassBank record with Accession MSBNK-Waters-WA001313 contains the MS mass spectrum of Clenbuterol with the InChIkey STJMRWALKKWQGH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
SMILES CC(C)(C)NCC(O)c(c1)cc(Cl)c(N)c(Cl)1
InChI Key STJMRWALKKWQGH-UHFFFAOYSA-N
Molecular Formula C12H18Cl2N2O
Exact Mass 276.080 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-WA001313
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PA164745640 PharmGKB
    HMDB0015477 Human Metabolome Database
    SCHEMBL4722 SureChEMBL
    2783 PubChem
    PD009512 ProbesDrugs
    LSM-5144 LINCS
    37148-27-9 ACToR
    50499-60-0 ACToR
    50306-03-1 ACToR
    15222099 PubChem: Thomson Pharma
    901664 eMolecules
    26754555 eMolecules
    J261.530D Nikkaji
    673 DrugCentral
    J19.704A Nikkaji
    27958 BindingDB
    CLENBUTEROL HYDROCHLORIDE rxnorm
    CLENBUTEROL rxnorm
    CLENBUTEROL clinicaltrials
    CLENBUTEROL HYDROCHLORIDE clinicaltrials
    HORDIE CCDC
    SPIROPENT clinicaltrials
    XTZ6AXU7KN FDA SRS
    DTXSID7022833 EPA CompTox Dashboard
    CB2488419 ChemicalBook
    DB01407 DrugBank
    CHEMBL49080 ChEMBL
    174690 ChEBI
    The data in this table is sourced from UniChem at EBI.