ACCESSION: MSBNK-EPA-ENTACT_AGILENT001893
RECORD_TITLE: 5-Nitro-2-mercaptobenzimidazole; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-06r7-1900000000-58c390609417263072dc
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  57.975693 52.85557 528
  58.004685 1.321863 13
  130.017261 5.216829 52
  132.032911 1.973176 19
  147.002242 1.005862 10
  148.010067 61.310407 612
  162.0309 36.664503 366
  162.997157 1.111885 11
  164.004982 56.469931 564
  194.002971 100.000002 999
//