ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005548
RECORD_TITLE: 2-METHYLBENZOTHIOPYRAN-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$NAME: 2-METHYLBENZOTHIOPYRAN-4-THIONE
CH$NAME: 2-METHYLTHIOCHROMOTHIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H8S2
CH$EXACT_MASS: 192.00674
CH$SMILES: CC(=C1)Sc(c2)c(ccc2)C(=S)1
CH$IUPAC: InChI=1S/C10H8S2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
CH$LINK: INCHIKEY OPFHNXXKRKLZGV-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$SPLASH: splash10-0006-5900000000-1149299c67a01b4ae124
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  27 5.3 53
  28 3.8 38
  29 4 40
  39 15.7 157
  41 8.6 86
  43 6.3 63
  45 10.6 106
  50 5 50
  51 5.8 58
  55 7.3 73
  57 5.1 51
  58 3.8 38
  59 6.3 63
  61 3.3 33
  62 6.5 65
  63 8.5 85
  69 19.5 195
  73 3.5 35
  74 5.5 55
  75 4 40
  76 3 30
  77 6 60
  81 3.7 37
  82 5.5 55
  83 4.1 41
  89 4.7 47
  93 6.5 65
  108 14.4 144
  114 3.5 35
  115 13 130
  116 3.2 32
  121 8 80
  128 3.7 37
  145 3.2 32
  146 3.2 32
  147 34 340
  148 14.1 141
  149 5 50
  152 3.3 33
  158 4.5 45
  159 4.2 42
  175 9.7 97
  190 11.3 113
  191 44 440
  192 99.99 999
  193 13 130
  194 9.6 96
  195 1.5 15
//
