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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000473

BENZOTHIAZOLE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000473
RECORD_TITLE: BENZOTHIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
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$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-6900000000-101b2ad37661f6438179
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  27 1.8 18
  29 1 10
  37 2.6 26
  38 0.37 4
  39 4.9 49
  40 1.4 14
  41 1.2 12
  43 0.35 4
  45 8 80
  50 4.3 43
  51 2.1 21
  53 0.12 1
  54 7.6 76
  57 1.6 16
  58 8.3 83
  61 0.21 2
  62 3.7 37
  63 10.3 103
  64 2.8 28
  67.5 0.32 3
  69 20.2 202
  70 1.4 14
  71 1.5 15
  74 0.26 3
  75 1.9 19
  76 1.2 12
  77 1.5 15
  81 0.49 5
  82 13.5 135
  83 1 10
  84 3.3 33
  91 0.95 10
  93 1.6 16
  107 1.9 19
  108 35.8 358
  109 0.42 4
  110 2 20
  134 1.7 17
  135 99.99 999
  136 0.95 10
  137 5.2 52
//

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