ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003411
RECORD_TITLE: 2-METHYLMERCAPTBENZOTHIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 2-METHYLMERCAPTBENZOTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇NS₂
CH$EXACT_MASS: 181.00199
CH$SMILES: CSc(n1)sc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
CH$LINK: INCHIKEY UTBVIMLZIRIFFR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70274236

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001j-1900000000-7a14591d497dfeec1429
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  38 5.3 53
  45 10.9 109
  62 4.3 43
  63 10.4 104
  64 6.3 63
  69 9.7 97
  95 4.6 46
  96 4.6 46
  104 6.8 68
  108 2.43 24
  109 7.3 73
  121 4.6 46
  122 9.7 97
  128 0.41 4
  133 4.8 48
  135 10.2 102
  136 16.3 163
  139 0.51 5
  148 61.4 614
  149 11.4 114
  166 9.7 97
  180 2.51 25
  181 99.99 999
  182 15.6 156
  183 11.4 114
//