Dataset

2-Aminobenzimidazole

This MassBank record with Accession MSBNK-Athens_Univ-AU200311 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	c1ccc2c(c1)[nH]c(=N)[nH]2
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
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU200311
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:50:21.531141
MetadataModified	2024-01-11T09:50:21.687544
MetadataPublished	2016-02-26

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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