ACCESSION: MSBNK-EPA-ENTACT_AGILENT002231
RECORD_TITLE: 6-Nitrobenzimidazole; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-014i-2900000000-9d97f08bf16ffd7c43dd
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  45.993452 3.41051 34
  50.003623 1.864638 18
  63.011448 1.736506 17
  64.019273 17.74343 177
  65.998537 1.177837 11
  88.019273 10.96874 109
  89.027098 9.780049 97
  104.037997 6.234273 62
  115.030172 99.999998 999
  116.037997 39.064869 390
  132.032911 5.655215 56
//