Dataset

Nadolol; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA001901 contains the MS mass spectrum of Nadolol with the InChIkey VWPOSFSPZNDTMJ-UCWKZMIHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
SMILES OC(CNC(C)(C)C)COc(c2)c(C1)c(cc2)CC(O)C(O)1
InChI Key VWPOSFSPZNDTMJ-UCWKZMIHSA-N
Molecular Formula C17H27NO4
Exact Mass 309.194 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-WA001901
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    554 Guide to Pharmacology
    12013396 PubChem: Drugs of the Future
    DB01203 DrugBank
    SAM002264627 NIH Clinical Collection
    CHEMBL649 ChEMBL
    SQ-11725 clinicaltrials
    FEN504330V FDA SRS
    DTXSID3023342 EPA CompTox Dashboard
    25766 BindingDB
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    CORGARD rxnorm
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    CORGARD clinicaltrials
    CB2494641 ChemicalBook
    39147 PubChem
    PD001017 ProbesDrugs
    LSM-1879 LINCS
    42200-33-9 ACToR
    PA450573 PharmGKB
    SCHEMBL4177 SureChEMBL
    3716096 eMolecules
    HMDB0015334 Human Metabolome Database
    nadolol DailyMed
    The data in this table is sourced from UniChem at EBI.