Dataset

Iproniazid; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA002235 contains the MS mass spectrum of Iproniazid with the InChIkey NYMGNSNKLVNMIA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
SMILES CC(C)NNC(=O)c(c1)ccnc1
InChI Key NYMGNSNKLVNMIA-UHFFFAOYSA-N
Molecular Formula C9H13N3O
Exact Mass 179.106 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-WA002235
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • N'-propan-2-ylpyridine-4-carbohydrazide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB0928533 ChemicalBook
    DB04818 DrugBank
    29136 BindingDB
    IPRONIAZID rxnorm
    HY-B0886A MedChemExpress
    5958 ChEBI
    DTXSID5023168 EPA CompTox Dashboard
    1480 DrugCentral
    ZINC000000001579 ZINC
    J4.158K Nikkaji
    HMDB0253570 Human Metabolome Database
    CUXKAK CCDC
    CHEMBL92401 ChEMBL
    C11777 KEGG Ligand
    3748 PubChem
    PD009098 ProbesDrugs
    D892HFI3XA FDA SRS
    iproniazid Atlas
    LSM-5940 LINCS
    SCHEMBL4153 SureChEMBL
    54-92-2 ACToR
    15195153 PubChem: Thomson Pharma
    711451 eMolecules
    5558 Brenda
    8118 Brenda
    44274 Brenda
    163220 Brenda
    The data in this table is sourced from UniChem at EBI.