Dataset

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

This MassBank record with Accession MSBNK-Waters-WA002720 contains the MS mass spectrum of Isocarboxazid with the InChIkey XKFPYPQQHFEXRZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
SMILES Cc(o2)cc(n2)C(=O)NNCc(c1)cccc1
InChI Key XKFPYPQQHFEXRZ-UHFFFAOYSA-N
Molecular Formula C12H13N3O2
Exact Mass 231.101 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-WA002720
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3759 PubChem
    PD009939 ProbesDrugs
    34237V843T FDA SRS
    LSM-4101 LINCS
    16885460 PubChem: Thomson Pharma
    SCHEMBL49562 SureChEMBL
    PA450101 PharmGKB
    59-63-2 ACToR
    1987273 eMolecules
    109068 Brenda
    HMDB0015377 Human Metabolome Database
    isocarboxazid DailyMed
    41166 Brenda
    ISOCARBOXAZID rxnorm
    MARPLAN clinicaltrials
    ISOCARBOXAZID clinicaltrials
    HY-13929 MedChemExpress
    MARPLAN rxnorm
    ISOCARBOXAZID DailyMed
    J4.794E Nikkaji
    CB3500536 ChemicalBook
    TOXXIN CCDC
    7204 Guide to Pharmacology
    ZINC000000001587 ZINC
    1490 DrugCentral
    DTXSID4023171 EPA CompTox Dashboard
    163692 BindingDB
    93635 ChEBI
    CHEMBL1201168 ChEMBL
    DB01247 DrugBank
    The data in this table is sourced from UniChem at EBI.