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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008217

BENZOTHIAZOLE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008217
RECORD_TITLE: BENZOTHIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: BENZOTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5NS
CH$EXACT_MASS: 135.01427
CH$SMILES: c(c2)cc(n1)c(c2)sc1
CH$IUPAC: InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
CH$LINK: INCHIKEY IOJUPLGTWVMSFF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7024586

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-2900000000-ac6acb266d8c21f1c542
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  45 2.99 30
  63 2.99 30
  69 15.22 152
  82 8.36 84
  91 6.27 63
  108 29.55 296
  109 3.28 33
  135 99.99 999
  136 8.66 87
  137 3.28 33
//

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