ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005550
RECORD_TITLE: 2,3-DIMETHYLBENZOTHIOPYRAN-4-THIONE; 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$NAME: 2,3-DIMETHYLBENZOTHIOPYRAN-4-THIONE
CH$NAME: 2,3-DIMETHYLTHIOCHROMOTHIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10S2
CH$EXACT_MASS: 206.02239
CH$SMILES: CC(S1)=C(C)C(=S)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C11H10S2/c1-7-8(2)13-10-6-4-3-5-9(10)11(7)12/h3-6H,1-2H3
CH$LINK: INCHIKEY FRIYENJAXQGJMB-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-4970000000-7dd62101c0255175f194
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  27 4.5 45
  39 9.2 92
  45 12.4 124
  50 4.2 42
  51 6 60
  59 7.9 79
  62 3 30
  63 4.7 47
  69 8.6 86
  74 2 20
  75 3 30
  76 2.5 25
  77 7.4 74
  82 2.8 28
  89 3.2 32
  91 2.2 22
  93 2.8 28
  95 2.5 25
  102 3 30
  103 2.7 27
  108 9 90
  114 2.5 25
  115 6.5 65
  121 3.2 32
  127 3.4 34
  128 7.8 78
  129 9.8 98
  145 2.5 25
  146 2 20
  147 16 160
  148 3 30
  158 3.2 32
  159 1.8 18
  160 9.3 93
  161 7.5 75
  162 3.6 36
  171 9.6 96
  172 4.7 47
  173 37 370
  174 5.8 58
  175 2.7 27
  190 6.5 65
  191 12 120
  192 3.5 35
  193 1.6 16
  203 1.1 11
  204 1 10
  205 22 220
  206 99.99 999
  207 16 160
  208 9.2 92
  209 1.3 13
//
