ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007938
RECORD_TITLE: 7-BROMO-3-METHOXY-2-METHYLTHIOISOQUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: 7-BROMO-3-METHOXY-2-METHYLTHIOISOQUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10BrNOS
CH$EXACT_MASS: 282.96665
CH$SMILES: COc(c1)c(SC)nc(c2)c(ccc(Br)2)1
CH$IUPAC: InChI=1S/C11H10BrNOS/c1-14-10-5-7-3-4-8(12)6-9(7)13-11(10)15-2/h3-6H,1-2H3
CH$LINK: INCHIKEY HWNKEJGGLOFWDE-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0ff9-1390000000-17dcf3333ea64e14b0e7
PK$NUM_PEAK: 117
PK$PEAK: m/z int. rel.int.
  51 3.72 37
  61 2.29 23
  62 7.49 75
  63 5.89 59
  64 2.82 28
  66 1.09 11
  69 1.46 15
  72 1.1 11
  73 2.82 28
  74 3.32 33
  75 5.5 55
  76 2.76 28
  77 1.91 19
  80 1.6 16
  82 1.07 11
  86 3.21 32
  87 8.58 86
  88 12.82 128
  89 2.27 23
  93 1.14 11
  94 2.23 22
  99 2.8 28
  100 4.73 47
  101 4.94 49
  102 10.29 103
  103 1.12 11
  114 25.59 256
  115 5.4 54
  116 2.46 25
  117 13.98 140
  118 1.29 13
  119 4.89 49
  120 1.57 16
  126 1.69 17
  127 9.48 95
  128 15.55 156
  129 5.17 52
  130 1.5 15
  132 1.08 11
  133 6.05 61
  134 8.68 87
  135 9.52 95
  140 1.1 11
  141 7.14 71
  142 4.08 41
  143 1.78 18
  145 2.82 28
  146 6.1 61
  156 1.07 11
  157 2.7 27
  158 1.53 15
  159 4.95 50
  160 5.02 50
  161 11.99 120
  162 1.54 15
  167 3.18 32
  169 3.11 31
  171 1.8 18
  173 1.43 14
  174 1.68 17
  179 1.95 20
  180 1.09 11
  181 3.4 34
  182 1.15 12
  183 1.48 15
  189 3.02 30
  193 1.24 12
  194 2.87 29
  195 3.7 37
  196 3.66 37
  197 2.41 24
  198 5.26 53
  200 4.4 44
  206 6.33 63
  207 16.19 162
  208 13.2 132
  209 17.02 170
  210 6.88 69
  211 1.52 15
  220 8.08 81
  221 21.15 212
  222 11.37 114
  223 22.03 220
  224 7.67 77
  225 2.1 21
  226 4.63 46
  227 1.66 17
  236 13.22 132
  237 6.86 69
  238 15.52 155
  239 6.77 68
  240 4.12 41
  241 1 10
  248 4.44 44
  249 1.9 19
  250 33.38 334
  251 5.55 56
  252 38.22 382
  253 8.5 85
  254 10.63 106
  255 5.01 50
  256 1.75 18
  264 11.85 119
  265 7.36 74
  266 13.89 139
  267 8.77 88
  268 30.91 309
  269 5.19 52
  270 29.58 296
  271 3.77 38
  272 1.67 17
  282 11.45 115
  283 96.67 967
  284 23.88 239
  285 99.99 999
  286 13.35 134
  287 5.43 54
//
