ACCESSION: MSBNK-EPA-ENTACT_AGILENT001895
RECORD_TITLE: 5-Nitro-2-mercaptobenzimidazole; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 5-Nitro-2-mercaptobenzimidazole
CH$NAME: DTXSID7064235
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅N₃O₂S
CH$EXACT_MASS: 195.0102471563
CH$SMILES: [O-][N+](=O)C1C=C2N=C(S)NC2=CC=1
CH$IUPAC: InChI=1S/C7H5N3O2S/c11-10(12)4-1-2-5-6(3-4)9-7(13)8-5/h1-3H,(H2,8,9,13)
CH$LINK: CAS 6325-91-3
CH$LINK: INCHIKEY YPXQSGWOGQPLQO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3717598

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$FOCUSED_ION: PRECURSOR_M/Z 194.0029707046
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9200000000-e1644f5b99510071a054
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  45.993452 1.713653 17
  57.975693 100.000002 999
  58.004685 3.448834 34
  58.017261 1.956879 19
  115.030172 1.642738 16
  116.037997 3.348458 33
  120.999168 1.256197 12
  132.032911 2.968862 29
  148.010067 18.308129 182
  162.0309 1.766345 17
//