Dataset

Vitamin PP, Pelonin amide, Endobion, Niacinamide, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Vitamin B3, NAM

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS030803 contains the MS2 mass spectrum of Vitamin PP, Pelonin amide, Endobion, Niacinamide, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Vitamin B3, NAM with the InChIkey DFPAKSUCGFBDDF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
SMILES C1=CC(=CN=C1)C(=O)N
InChI Key DFPAKSUCGFBDDF-UHFFFAOYSA-N
Molecular Formula C6H6N2O
Exact Mass 122.127 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-RIKEN_ReSpect-PS030803
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:24:51.403383
MetadataModified 2025-02-09T19:06:38.529216
MetadataPublished 2009-02-09
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.