Dataset

2-Aminobenzimidazole

This MassBank record with Accession MSBNK-Athens_Univ-AU200303 contains the MS2 mass spectrum of 2-Aminobenzimidazole with the InChIkey JWYUFVNJZUSCSM-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
SMILES	NC1=NC2=C(N1)C=CC=C2
InChI Key	JWYUFVNJZUSCSM-UHFFFAOYSA-N
Molecular Formula	C7H7N3
Exact Mass	133.064 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU200303
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T10:07:45.429127
MetadataModified	2025-02-08T18:57:59.028816
MetadataPublished	2015-12-03
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000016889973	ZINC
192711	Brenda
22054	Brenda
CB6245188	ChemicalBook
MTBLC27822	Metabolights
MCULE-2427064128	Mcule
SCHEMBL9098	SureChEMBL
144704-99-4	ACToR
E65DE7521V	FDA SRS
15119967	PubChem: Thomson Pharma
AX7	PDBe
CHEMBL305513	ChEMBL
27822	ChEBI
DTXSID1024465	EPA CompTox Dashboard
J3.655B	Nikkaji
7960	BindingDB
HMDB0245008	Human Metabolome Database
DIQLEU	CCDC
C10901	KEGG Ligand
13624	PubChem
476157	eMolecules
76051	NMRShiftDB
The data in this table is sourced from UniChem at EBI.