Dataset

NICOTINAMIDE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005706 contains the MS mass spectrum of NICOTINAMIDE with the InChIkey DFPAKSUCGFBDDF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
SMILES NC(=O)c(c1)cncc1
InChI Key DFPAKSUCGFBDDF-UHFFFAOYSA-N
Molecular Formula C6H6N2O
Exact Mass 122.048 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005706
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • pyridine-3-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1140 ChEMBL
    17154 ChEBI
    SAM001246860 NIH Clinical Collection
    NCA PDBe
    12013393 PubChem: Drugs of the Future
    C00153 KEGG Ligand
    DB02701 DrugBank
    NIACINAMIDE rxnorm
    NIACINAMIDE clinicaltrials
    NICOTINAMIDE clinicaltrials
    HY-B0150 MedChemExpress
    DTXSID2020929 EPA CompTox Dashboard
    NIACINAMIDE DailyMed
    ZINC000000005878 ZINC
    J3.988H Nikkaji
    NICOAM CCDC
    27507 BindingDB
    1906 DrugCentral
    27678415 eMolecules
    HMDB0001406 Human Metabolome Database
    CB1130111 ChemicalBook
    17154 Rhea
    SCHEMBL19978192 SureChEMBL
    niacinamide DailyMed
    137013 Brenda
    163972 Brenda
    MTBLC17154 Metabolights
    97464 Brenda
    267 Brenda
    20027731 NMRShiftDB
    MCULE-3532732201 Mcule
    SCHEMBL2926 SureChEMBL
    123574-63-0 ACToR
    PD000511 ProbesDrugs
    LSM-5428 LINCS
    ncam Recon
    Nicotinamide(Niacinamide) Selleck
    15297149 PubChem: Thomson Pharma
    936 PubChem
    25X51I8RD4 FDA SRS
    11032-50-1 ACToR
    98-92-0 ACToR
    490874 eMolecules
    The data in this table is sourced from UniChem at EBI.