Dataset

Piroxicam; LC-ESI-Q; MS; NEG; 30 V

This MassBank record with Accession MSBNK-Waters-WA002542 contains the MS mass spectrum of Piroxicam with the InChIkey QYSPLQLAKJAUJT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
SMILES c(c3)cnc(c3)NC(=O)C(=C(O)1)N(C)S(=O)(=O)c(c2)c(ccc2)1
InChI Key QYSPLQLAKJAUJT-UHFFFAOYSA-N
Molecular Formula C15H13N3O4S
Exact Mass 331.063 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-WA002542
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Maintainer
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MetadataPublished 2016-01-19
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00554 drugbank
    CHEBI:8249 chebi
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    13462 surechembl
    29352427 surechembl
    29396075 surechembl
    54676228 pubchem
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    7273 gtopdb
    PD001795 probes_and_drugs
    BIYSEH CCDC
    4121 brenda
    HMDB0014694 hmdb
    DTXSID5021170 comptox
    NCT00631514 clinicaltrials
    NCT00649415 clinicaltrials
    NCT00670475 clinicaltrials
    NCT01320709 clinicaltrials
    NCT02253446 clinicaltrials
    NCT02304783 clinicaltrials
    NCT02450487 clinicaltrials
    NCT03153657 clinicaltrials
    NCT03626753 clinicaltrials
    NCT04201249 clinicaltrials
    NCT05104931 clinicaltrials
    NCT05488925 clinicaltrials
    NCT05722782 clinicaltrials
    NCT06404177 clinicaltrials
    Molport-001-888-120 molport
    2210 drugcentral
    85245 bindingdb
    The data in this table is sourced from UniChem at EBI.