ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001372
RECORD_TITLE: 1-BROMO-3,5-DI-TERT-BUTYLBENZENE; 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$NAME: 1-BROMO-3,5-DI-TERT-BUTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₁Br
CH$EXACT_MASS: 268.08266
CH$SMILES: CC(C)(C)c(c1)cc(cc(Br)1)C(C)(C)C
CH$IUPAC: InChI=1S/C14H21Br/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3
CH$LINK: INCHIKEY BUOWTUULDKULFI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00347326

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0pb9-4290000000-1418068362807f9571c9
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  50 1.08 11
  51 4.17 42
  52 1.52 15
  53 2.14 21
  55 5.04 50
  56 1.56 16
  57 95.31 953
  58 3.59 36
  63 2.9 29
  64 7.95 80
  65 5.08 51
  70 1.77 18
  71 2.06 21
  75 2.25 23
  76 1.67 17
  77 3.95 40
  78 2.79 28
  79 2.03 20
  89 1.63 16
  91 6.02 60
  92 1.01 10
  97 1.23 12
  98 1.16 12
  102 2.57 26
  103 2.14 21
  104 3.01 30
  105 8.02 80
  106 5.3 53
  115 8.2 82
  116 3.05 31
  117 4.32 43
  118 2.21 22
  119 4.75 48
  120 4.13 41
  127 1.85 19
  128 5.33 53
  129 5.15 52
  130 1.7 17
  131 2.9 29
  132 1.27 13
  133 1.7 17
  141 2.21 22
  142 1.23 12
  143 2.32 23
  144 2.57 26
  158 1.88 19
  159 2.46 25
  169 1.08 11
  171 1.01 10
  189 1.19 12
  197 1.63 16
  209 1.01 10
  225 5.33 53
  227 4.79 48
  239 1.08 11
  253 99.99 999
  254 15.14 151
  255 97.53 975
  256 15.28 153
  257 1.16 12
  268 21.06 211
  269 3.66 37
  270 19.78 198
  271 3.05 31
//