ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009441
RECORD_TITLE: 2,3-DIMETHYLCHROMOTHIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2,3-DIMETHYLCHROMOTHIONE
CH$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-7L
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: splash10-0006-3900000000-b4715fa309ee6ec667ac
PK$NUM_PEAK: 115
PK$PEAK: m/z int. rel.int.
  40 1 10
  41 2 20
  42 1 10
  43 11 110
  44 1 10
  45 4 40
  46 1 10
  47 1.5 15
  49 1 10
  50 2 20
  51 4 40
  52 1 10
  53 3 30
  54 1 10
  55 1 10
  56 1 10
  57 1 10
  58 1 10
  59 1.5 15
  60 1 10
  61 1 10
  62 1.5 15
  63 4.5 45
  64 1.5 15
  65 3 30
  66 1 10
  67 1.5 15
  68 1 10
  71 1.5 15
  72 1 10
  73 1.5 15
  74 2 20
  75 2.5 25
  76 4.5 45
  77 5 50
  78 1.5 15
  79 1 10
  81 1 10
  82 1.5 15
  83 1.1 11
  84 1 10
  85 1 10
  86 1 10
  87 2 20
  88 1 10
  89 2 20
  91 2.5 25
  92 1 10
  93 1 10
  94 1 10
  95 4.5 45
  96 1 10
  97 6 60
  98 1 10
  99 1 10
  101 1 10
  102 2 20
  103 2.5 25
  104 1 10
  105 1.5 15
  106 1.5 15
  107 1 10
  108 3.5 35
  109 1 10
  111 1 10
  112 1 10
  113 1 10
  114 1.5 15
  115 3.5 35
  116 1 10
  117 1.5 15
  118 1 10
  119 1 10
  121 1 10
  122 2.5 25
  123 1 10
  124 1 10
  125 1 10
  126 1.5 15
  127 3.5 35
  128 5.5 55
  129 4.5 45
  130 1.5 15
  131 6.5 65
  132 2 20
  133 1 10
  134 1 10
  135 1 10
  139 1.5 15
  140 1 10
  141 1 10
  142 1.5 15
  143 1 10
  144 3.5 35
  145 6 60
  146 2 20
  147 5 50
  148 5 50
  149 1 10
  155 1 10
  156 1.5 15
  157 38 380
  158 4 40
  159 1 10
  173 1 10
  174 1 10
  175 7 70
  176 1.5 15
  177 1 10
  188 1 10
  189 24.5 245
  190 99.99 999
  191 15.5 155
  192 7.5 75
  193 1.5 15
//
