ACCESSION: MSBNK-EPA-ENTACT_AGILENT002230
RECORD_TITLE: 6-Nitrobenzimidazole; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 6-Nitrobenzimidazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅N₃O₂
CH$EXACT_MASS: 163.0381764263
CH$SMILES: [O-][N+](=O)C1=CC2N=CNC=2C=C1
CH$IUPAC: InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
CH$LINK: CAS 94-52-0
CH$LINK: INCHIKEY XPAZGLFMMUODDK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7195

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 164.045452878
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0900000000-20e062dd07c4a56aed4c
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  91.041651 2.878759 28
  106.05255 2.463821 24
  118.05255 100.000003 999
  164.045453 10.898263 108
//