Dataset

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

This MassBank record with Accession MSBNK-Waters-WA002675 contains the MS mass spectrum of Niacinamide 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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002675
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
    DB02701 drugbank
    CHEBI:17154 chebi
    NCA rcsb_pdb
    CHEMBL1140 chembl
    19978192 surechembl
    2926 surechembl
    29603013 surechembl
    936 pubchem
    25X51I8RD4 fdasrs
    PD000511 probes_and_drugs
    NICOAM CCDC
    109323 brenda
    137013 brenda
    163468 brenda
    163972 brenda
    184554 brenda
    267 brenda
    97464 brenda
    NCA pdbe
    HMDB0001406 hmdb
    DTXSID2020929 comptox
    NCT00033436 clinicaltrials
    NCT00140166 clinicaltrials
    NCT00316472 clinicaltrials
    NCT00508885 clinicaltrials
    NCT00580931 clinicaltrials
    NCT00605930 clinicaltrials
    NCT00691210 clinicaltrials
    NCT01011699 clinicaltrials
    NCT01200784 clinicaltrials
    NCT01368887 clinicaltrials
    NCT01381354 clinicaltrials
    NCT01542138 clinicaltrials
    NCT01589809 clinicaltrials
    NCT02140814 clinicaltrials
    NCT02213094 clinicaltrials
    NCT02258074 clinicaltrials
    NCT02416739 clinicaltrials
    NCT02558595 clinicaltrials
    NCT02701127 clinicaltrials
    NCT03019666 clinicaltrials
    NCT03061474 clinicaltrials
    NCT03136705 clinicaltrials
    NCT03260166 clinicaltrials
    NCT03268902 clinicaltrials
    NCT03392623 clinicaltrials
    NCT03418935 clinicaltrials
    NCT03419364 clinicaltrials
    NCT03626298 clinicaltrials
    NCT03761511 clinicaltrials
    NCT03769285 clinicaltrials
    NCT03850886 clinicaltrials
    NCT03962114 clinicaltrials
    NCT04055818 clinicaltrials
    NCT04589546 clinicaltrials
    NCT04631484 clinicaltrials
    NCT04649203 clinicaltrials
    NCT04670081 clinicaltrials
    NCT04750616 clinicaltrials
    NCT04843553 clinicaltrials
    NCT04844528 clinicaltrials
    NCT04870866 clinicaltrials
    NCT04903210 clinicaltrials
    NCT05258474 clinicaltrials
    NCT05362188 clinicaltrials
    NCT05435378 clinicaltrials
    NCT05513807 clinicaltrials
    NCT05695027 clinicaltrials
    NCT05702398 clinicaltrials
    NCT05790577 clinicaltrials
    NCT05935787 clinicaltrials
    NCT05955924 clinicaltrials
    NCT05958277 clinicaltrials
    NCT06007391 clinicaltrials
    NCT06465602 clinicaltrials
    Molport-001-783-876 molport
    1906 drugcentral
    27507 bindingdb
    The data in this table is sourced from UniChem at EBI.