MassBank Record: MSBNK-EPA-ENTACT_AGILENT002112

1-Methyl-1,3-dihydro-2H-benzimidazole-2-thione; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT002112
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

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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

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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

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MS$FOCUSED_ION: PRECURSOR_M/Z 163.0335425483
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-01ot-0900000000-467a5390481af78126a7
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  57.975693 5.987094 59
  104.037997 2.442819 24
  117.045822 5.156503 51
  131.061472 2.248684 22
  148.010067 100.000003 999
  163.033543 63.795927 637
//