ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009438
RECORD_TITLE: 2-TRIDEUTROMETHYL-3-METHYLTHIOCHROMONE; 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$NAME: 2-TRIDEUTROMETHYL-3-METHYLTHIOCHROMONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10OS
CH$EXACT_MASS: 190.04524
CH$SMILES: [2H]C([2H])([2H])C(S1)=C(C)C(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C11H10OS/c1-7-8(2)13-10-6-4-3-5-9(10)11(7)12/h3-6H,1-2H3/i2D3
CH$LINK: INCHIKEY MBMJRWSFDYUTRL-BMSJAHLVSA-N
AC$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: splash10-000f-4900000000-81931f950deefe97a303
PK$NUM_PEAK: 121
PK$PEAK: m/z int. rel.int.
  40 2 20
  41 3 30
  42 1.5 15
  43 3.5 35
  44 1 10
  45 4 40
  46 1 10
  47 5 50
  48 1 10
  49 3 30
  50 4 40
  51 3 30
  52 1.5 15
  53 2.5 25
  54 1 10
  55 3.5 35
  56 4 40
  57 3 30
  58 3 30
  59 1 10
  60 1 10
  61 1.5 15
  62 3.5 35
  63 6 60
  64 2 20
  65 2.5 25
  66 1.5 15
  67 1 10
  68 1 10
  69 13.5 135
  70 1.5 15
  71 2.5 25
  72 1 10
  73 1.5 15
  74 3 30
  75 3 30
  76 4 40
  77 3.5 35
  78 1.5 15
  79 2 20
  80 1 10
  81 2.5 25
  82 4.5 45
  83 3.5 35
  84 19.5 195
  85 1 10
  86 12 120
  87 1.5 15
  89 3.5 35
  90 1 10
  91 1 10
  92 1.5 15
  93 3 30
  94 2 20
  95 1 10
  96 1.5 15
  97 1.5 15
  98 1 10
  99 1 10
  101 1 10
  102 1.5 15
  103 1.5 15
  104 2 20
  105 2.5 25
  106 1 10
  107 2 20
  108 22 220
  109 6 60
  110 3 30
  111 2.5 25
  112 1 10
  113 1 10
  114 1 10
  115 1.5 15
  116 1.5 15
  117 2 20
  118 2 20
  119 2.5 25
  120 1.5 15
  121 1.5 15
  122 1 10
  123 1 10
  124 1 10
  125 2.5 25
  126 1 10
  127 1 10
  128 1.5 15
  129 2.5 25
  130 4 40
  131 6 60
  132 6 60
  133 1.5 15
  134 1 10
  135 1.5 15
  136 37 370
  137 15 150
  138 6 60
  139 1 10
  140 1 10
  146 1.5 15
  147 7 70
  148 7.5 75
  149 7 70
  150 5.5 55
  151 3 30
  152 1 10
  158 1 10
  159 16 160
  160 26 260
  161 4 40
  162 2 20
  163 4 40
  164 7 70
  165 8 80
  166 3 30
  167 2 20
  191 2 20
  192 11 110
  193 99.99 999
  194 12.5 125
  195 4 40
//
