ACCESSION: MSBNK-EPA-ENTACT_AGILENT002233
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 162.0308999746
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-02u0-0900000000-8e78ebe7353a04e77bbe
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  89.027098 1.403602 14
  104.037997 9.074581 90
  115.030172 20.495988 204
  116.037997 81.379741 812
  132.032911 99.999998 999
  162.0309 86.017858 859
//