ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005545
RECORD_TITLE: 2,3-DIMETHYLBENZOTHIOPYRAN-4-ONE; 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$NAME: 2,3-DIMETHYLBENZOTHIOPYRAN-4-ONE
CH$NAME: 2,3-DIMETHYLTHIOCHROMONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10OS
CH$EXACT_MASS: 190.04524
CH$SMILES: CC(S1)=C(C)C(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C11H10OS/c1-7-8(2)13-10-6-4-3-5-9(10)11(7)12/h3-6H,1-2H3
CH$LINK: INCHIKEY MBMJRWSFDYUTRL-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$SPLASH: splash10-052f-4900000000-50c288744f7fc51052f2
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 12.7 127
  29 5.6 56
  39 14.7 147
  45 11.3 113
  50 10.2 102
  51 12.6 126
  53 10 100
  58 6.1 61
  59 5.6 56
  63 11.3 113
  65 6.8 68
  69 26.8 268
  71 5 50
  74 4.5 45
  75 4.7 47
  76 6.9 69
  77 8.6 86
  81 5 50
  82 10.8 108
  108 31 310
  109 11 110
  115 6.3 63
  128 12.2 122
  129 9.8 98
  136 39 390
  137 12 120
  138 3.3 33
  147 32 320
  148 4.2 42
  149 3.5 35
  157 35 350
  158 5 50
  161 17 170
  162 10.3 103
  190 99.99 999
  191 14 140
  192 6.4 64
//
