Dataset

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

This MassBank record with Accession MSBNK-Waters-WA002666 contains the MS mass spectrum of Terbutaline with the InChIkey XWTYSIMOBUGWOL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
SMILES CC(C)(C)NCC(O)c(c1)cc(O)cc(O)1
InChI Key XWTYSIMOBUGWOL-UHFFFAOYSA-N
Molecular Formula C12H19NO3
Exact Mass 225.136 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-WA002666
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    560 Guide to Pharmacology
    C07129 KEGG Ligand
    DB00871 DrugBank
    CHEMBL1760 ChEMBL
    KWD-2019 clinicaltrials
    BRETHAIRE clinicaltrials
    BRETHINE clinicaltrials
    TERBUTALINE clinicaltrials
    TERBUTALINE SULFATE clinicaltrials
    N8ONU3L3PG FDA SRS
    MCULE-3821114202 Mcule
    DTXSID7021310 EPA CompTox Dashboard
    2598 DrugCentral
    J11.466I Nikkaji
    25770 BindingDB
    CB02131227 ChemicalBook
    TERBUTALINE DailyMed
    TERBUTALINE SULFATE rxnorm
    TERBUTALINE rxnorm
    KWD 2019 clinicaltrials
    HMDB0015009 Human Metabolome Database
    terbutaline DailyMed
    SCHEMBL4391 SureChEMBL
    9449 ChEBI
    5403 PubChem
    PD009674 ProbesDrugs
    15220540 PubChem: Thomson Pharma
    LSM-5065 LINCS
    PA451616 PharmGKB
    46719-29-3 ACToR
    23031-25-6 ACToR
    27524076 eMolecules
    31228026 eMolecules
    The data in this table is sourced from UniChem at EBI.