Dataset

Indomethacin; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA001441 contains the MS mass spectrum of Indomethacin with the InChIkey CGIGDMFJXJATDK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
SMILES COc(c3)cc(c(CC(O)=O)1)c(c3)n(C(=O)c(c2)ccc(Cl)c2)c(C)1
InChI Key CGIGDMFJXJATDK-UHFFFAOYSA-N
Molecular Formula C19H16ClNO4
Exact Mass 357.077 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-WA001441
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
    DB00328 drugbank
    CHEBI:49662 chebi
    IMN rcsb_pdb
    CHEMBL6 chembl
    29353712 surechembl
    9300 surechembl
    3715 pubchem
    XXE1CET956 fdasrs
    IMN pdbe
    1909 gtopdb
    PD002292 probes_and_drugs
    INDMET CCDC
    125887 brenda
    127068 brenda
    217119 brenda
    546 brenda
    98002 brenda
    HMDB0014473 hmdb
    DTXSID9020740 comptox
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    NCT05664074 clinicaltrials
    NCT05722548 clinicaltrials
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    Molport-000-917-894 molport
    1440 drugcentral
    17638 bindingdb
    The data in this table is sourced from UniChem at EBI.