Dataset

Phenylbenzimidazole sulfonic acid; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF417253 contains the MS2 mass spectrum of Phenylbenzimidazole sulfonic acid with the InChIkey UVCJGUGAGLDPAA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)
SMILES C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O
InChI Key UVCJGUGAGLDPAA-UHFFFAOYSA-N
Molecular Formula C13H10N2O3S
Exact Mass 274.041 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-UFZ-UF417253
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MetadataPublished 2017-01-05
Related Molecule
  • 2-phenyl-3H-benzimidazole-5-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11115 drugbank
    CHEBI:135132 chebi
    CHEMBL1987518 chembl
    16277 surechembl
    29405567 surechembl
    38724 surechembl
    1712019 pubchem
    33919 pubchem
    9YQ9DI1W42 fdasrs
    PD014085 probes_and_drugs
    BUCTIF CCDC
    328045 bindingdb
    328841 bindingdb
    Molport-001-766-694 molport
    Molport-001-889-889 molport
    The data in this table is sourced from UniChem at EBI.