ACCESSION: MSBNK-EPA-ENTACT_AGILENT001894
RECORD_TITLE: 5-Nitro-2-mercaptobenzimidazole; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0006-0900000000-a47eedab821899f68b92
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  57.975693 1.826465 18
  148.010067 2.561658 25
  162.0309 2.349542 23
  164.004982 5.060501 50
  194.002971 100.000004 999
//