ACCESSION: MSBNK-EPA-ENTACT_AGILENT002111
RECORD_TITLE: 1-Methyl-1,3-dihydro-2H-benzimidazole-2-thione; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-Methyl-1,3-dihydro-2H-benzimidazole-2-thione
CH$NAME: DTXSID40178252
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈N₂S
CH$EXACT_MASS: 164.040819
CH$SMILES: CN1C(=S)NC2=CC=CC=C12
CH$IUPAC: InChI=1S/C8H8N2S/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-5H,1H3,(H,9,11)
CH$LINK: CAS 2360-22-7
CH$LINK: INCHIKEY CDNHLXOFELOEOL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:1522244

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 165.0480954517
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0900000000-7dfa118b881f17979fcb
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  92.049476 1.89835 18
  104.049476 1.189806 11
  106.065126 2.867193 28
  107.072951 7.453232 74
  119.060375 2.735088 27
  124.021546 1.654947 16
  131.060375 6.004207 59
  132.0682 38.532593 384
  133.076025 9.873447 98
  150.02462 21.846334 218
  163.032445 2.393424 23
  165.048095 100.000002 999
//