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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012060

BENZOTHIAZOLE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012060
RECORD_TITLE: BENZOTHIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
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$SPLASH: splash10-000i-2900000000-295f818bb85918e8d003
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39 1.51 15
  45 2.27 23
  58 3.48 35
  63 3.43 34
  64 1.2 12
  69 12.57 126
  82 7.82 78
  84 1.42 14
  91 5.61 56
  107 1.18 12
  108 30.25 303
  109 3.1 31
  110 1.28 13
  134 1.4 14
  135 99.99 999
  136 9.04 90
  137 4.88 49
//

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