ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010832
RECORD_TITLE: 1,3-DI(BROMOMETYL)-2,5-DIMETHOXYBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 1,3-DI(BROMOMETYL)-2,5-DIMETHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂Br₂O₂
CH$EXACT_MASS: 321.92040
CH$SMILES: COc(c1)cc(CBr)c(OC)c(CBr)1
CH$IUPAC: InChI=1S/C10H12Br2O2/c1-13-9-3-7(5-11)10(14-2)8(4-9)6-12/h3-4H,5-6H2,1-2H3
CH$LINK: INCHIKEY NMKXDEJEXSASNP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40501920

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-000m-4951000000-33758c070fd29b08a1b1
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  38 2.3 23
  39 7.5 75
  50 4.1 41
  51 8.3 83
  52 4.6 46
  53 4.7 47
  55 1.2 12
  61 1.5 15
  62 4.8 48
  63 11.2 112
  64 3.6 36
  65 11 110
  66 3.9 39
  67 7.3 73
  74 3.2 32
  75 3.3 33
  76 3.8 38
  77 23.3 233
  78 19.2 192
  79 7.7 77
  80 1 10
  81 2.6 26
  82 1.5 15
  86 1.8 18
  87 1.6 16
  88 1.3 13
  89 10.8 108
  90 7.5 75
  91 2.7 27
  92 4.4 44
  93 4.8 48
  94 1.4 14
  95 2 20
  96 1 10
  98 1.2 12
  102 1.9 19
  103 7.3 73
  104 8.2 82
  105 9.3 93
  106 3.3 33
  107 2 20
  117 1 10
  118 1.9 19
  119 5.3 53
  120 4.1 41
  121 33.2 332
  122 7.9 79
  133 3.7 37
  134 21.2 212
  135 99.99 999
  136 27.8 278
  137 2.8 28
  148 1.4 14
  149 34.9 349
  150 21.3 213
  151 2.1 21
  163 1.4 14
  164 2.4 24
  165 13.7 137
  166 1.6 16
  183 3.2 32
  184 1.4 14
  185 3.2 32
  199 1.5 15
  201 1.3 13
  213 11.9 119
  214 1.9 19
  215 12.4 124
  216 1.4 14
  227 1.6 16
  228 1.3 13
  229 1.8 18
  230 1.3 13
  243 72.7 727
  244 11.8 118
  245 70.3 703
  246 10.4 104
  247 1 10
  309 1.2 12
  322 12.2 122
  324 22 220
  326 11.8 118
  327 1.3 13
//