ACCESSION: MSBNK-EPA-ENTACT_AGILENT002114
RECORD_TITLE: 1-Methyl-1,3-dihydro-2H-benzimidazole-2-thione; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0fsi-4900000000-d361291e39b5263771a4
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  39.022927 2.384634 23
  44.979347 1.236191 12
  51.022927 5.030707 50
  53.038577 2.811344 28
  58.994997 6.288318 62
  63.022927 2.556072 25
  64.030752 2.250216 22
  65.038577 47.712673 476
  66.033826 1.249323 12
  77.038577 32.637343 326
  78.033826 1.037815 10
  78.046402 5.461746 54
  79.041651 1.344368 13
  79.054227 5.820968 58
  80.049476 6.580878 65
  90.033826 3.620557 36
  91.041651 5.149498 51
  92.049476 28.395542 283
  96.002822 7.051875 70
  97.010647 1.829661 18
  104.049476 37.533239 374
  105.044725 2.675319 26
  105.057301 3.481102 34
  106.05255 18.048542 180
  106.065126 39.045252 390
  107.072951 7.493044 74
  117.044725 1.300696 12
  118.05255 18.095606 180
  119.060375 7.564745 75
  122.005896 2.593725 25
  123.013721 11.680392 116
  124.00897 1.022875 10
  131.060375 100.000004 999
  132.0682 29.939812 299
  133.076025 7.973209 79
  149.016795 1.851072 18
  150.02462 40.991161 409
  163.032445 1.09645 10
  165.048095 1.590875 15
//