Dataset

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

This MassBank record with Accession MSBNK-Waters-WA001321 contains the MS mass spectrum of Atenolol with the InChIkey METKIMKYRPQLGS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
SMILES CC(C)NCC(O)COc(c1)ccc(CC(N)=O)c1
InChI Key METKIMKYRPQLGS-UHFFFAOYSA-N
Molecular Formula C14H22N2O3
Exact Mass 266.163 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-WA001321
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00335 drugbank
    CHEBI:2904 chebi
    CHEMBL24 chembl
    4362 surechembl
    2249 pubchem
    50VV3VW0TI fdasrs
    548 gtopdb
    PD001885 probes_and_drugs
    62194 brenda
    HMDB0001924 hmdb
    DTXSID2022628 comptox
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    NCT00108082 clinicaltrials
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    NCT00140959 clinicaltrials
    NCT00145210 clinicaltrials
    NCT00158093 clinicaltrials
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    NCT00185094 clinicaltrials
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    NCT00232882 clinicaltrials
    NCT00246519 clinicaltrials
    NCT00263393 clinicaltrials
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    NCT00310778 clinicaltrials
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    NCT00535925 clinicaltrials
    NCT00541684 clinicaltrials
    NCT00582114 clinicaltrials
    NCT00589303 clinicaltrials
    NCT00593710 clinicaltrials
    NCT00651235 clinicaltrials
    NCT00651235 clinicaltrials
    NCT00661895 clinicaltrials
    NCT00669279 clinicaltrials
    NCT00687973 clinicaltrials
    NCT00723801 clinicaltrials
    NCT00741585 clinicaltrials
    NCT00772499 clinicaltrials
    NCT00813722 clinicaltrials
    NCT00913965 clinicaltrials
    NCT00925119 clinicaltrials
    NCT00946725 clinicaltrials
    NCT01022463 clinicaltrials
    NCT01030016 clinicaltrials
    NCT01079962 clinicaltrials
    NCT01132768 clinicaltrials
    NCT01145612 clinicaltrials
    NCT01202721 clinicaltrials
    NCT01230892 clinicaltrials
    NCT01251146 clinicaltrials
    NCT01295047 clinicaltrials
    NCT01313702 clinicaltrials
    NCT01397994 clinicaltrials
    NCT01445964 clinicaltrials
    NCT01522950 clinicaltrials
    NCT01715207 clinicaltrials
    NCT01736488 clinicaltrials
    NCT01762436 clinicaltrials
    NCT01904981 clinicaltrials
    NCT01939509 clinicaltrials
    NCT02262533 clinicaltrials
    NCT02342275 clinicaltrials
    NCT02403349 clinicaltrials
    NCT02441842 clinicaltrials
    NCT02467400 clinicaltrials
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    NCT03082014 clinicaltrials
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    NCT03147092 clinicaltrials
    NCT03237637 clinicaltrials
    NCT03245970 clinicaltrials
    NCT03245996 clinicaltrials
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    NCT04931108 clinicaltrials
    NCT05106179 clinicaltrials
    Molport-001-792-717 molport
    Molport-002-507-840 molport
    255 drugcentral
    25753 bindingdb
    The data in this table is sourced from UniChem at EBI.