Dataset

ALPHA-PICOLINAMIDE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009495 contains the MS mass spectrum of ALPHA-PICOLINAMIDE with the InChIkey IBBMAWULFFBRKK-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)
SMILES	NC(=O)c(c1)nccc1
InChI Key	IBBMAWULFFBRKK-UHFFFAOYSA-N
Molecular Formula	C6H6N2O
Exact Mass	122.048 g/mol

Data and Resources

ALPHA-PICOLINAMIDEHTML
Explore
- More information
- Go to resource

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-JP009495
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:01.015777
MetadataModified	2024-01-11T15:56:01.221071
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14867232	PubChem: Thomson Pharma
15070	PubChem
SCHEMBL61183	SureChEMBL
I3550CCL59	FDA SRS
1452-77-3	ACToR
PD078353	ProbesDrugs
J27.993E	Nikkaji
HMDB0256533	Human Metabolome Database
MCULE-9969255912	Mcule
20200308	NMRShiftDB
ZINC000000388048	ZINC
DTXSID4061703	EPA CompTox Dashboard
WM1	PDBe
PICAMD	CCDC
51521	Brenda
CB6713827	ChemicalBook
154959	Brenda
42228	Brenda
8200	ChEBI
C01950	KEGG Ligand
477536	eMolecules
The data in this table is sourced from UniChem at EBI.