Dataset

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

This MassBank record with Accession MSBNK-Waters-WA000681 contains the MS mass spectrum of Salbutamol with the InChIkey NDAUXUAQIAJITI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
SMILES OCc(c1)c(O)ccc1C(O)CNC(C)(C)C
InChI Key NDAUXUAQIAJITI-UHFFFAOYSA-N
Molecular Formula C13H21NO3
Exact Mass 239.152 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-WA000681
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01001 drugbank
    CHEBI:2549 chebi
    CHEMBL714 chembl
    10025126 surechembl
    4913 surechembl
    2083 pubchem
    QF8SVZ843E fdasrs
    558 gtopdb
    9816 gtopdb
    PD001639 probes_and_drugs
    114657 brenda
    63162 brenda
    HMDB0001937 hmdb
    105 drugcentral
    25769 bindingdb
    The data in this table is sourced from UniChem at EBI.