Dataset

2-Aminobenzimidazole; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU200305 contains the MS2 mass spectrum of 2-Aminobenzimidazole with the InChIkey JWYUFVNJZUSCSM-UHFFFAOYSA-N.

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU200305
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Author
Maintainer
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MetadataPublished 2016-02-22
Related Molecule
  • 1H-benzimidazol-2-amine
    • 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.