ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004706
RECORD_TITLE: 2-BROMO-1,3,5-TRI-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$NAME: 2-BROMO-1,3,5-TRI-TERT-BUTYLBENZENE
CH$NAME: 2,4,6-TRI-TERT-BUTYLPHENYLBROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H29Br
CH$EXACT_MASS: 324.14526
CH$SMILES: CC(C)(C)c(c1)cc(C(C)(C)C)c(Br)c1C(C)(C)C
CH$IUPAC: InChI=1S/C18H29Br/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,1-9H3
CH$LINK: COMPTOX DTXSID20192835
CH$LINK: INCHIKEY JOKZWHPYNRDCOA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:138089
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$SPLASH: splash10-0bt9-5209000000-2ce7c52d34b07e1d9c34
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  43 1.94 19
  53 1.5 15
  55 5.26 53
  57 99.99 999
  58 4.8 48
  65 1.34 13
  71 1.57 16
  77 2.6 26
  78 1.07 11
  79 1.63 16
  91 4.12 41
  105 2.34 23
  115 4 40
  116 1.45 15
  117 2.27 23
  119 1.44 14
  127 1.18 12
  128 4.15 42
  129 3.8 38
  130 1.44 14
  131 3.55 36
  133 2.07 21
  134 1.56 16
  141 2.85 29
  142 2.29 23
  143 2.89 29
  144 1.1 11
  145 2.21 22
  147 1.86 19
  148 1.02 10
  153 1.06 11
  155 1.37 14
  157 2.03 20
  158 1.31 13
  159 1.41 14
  171 1.07 11
  173 3.51 35
  187 2.4 24
  215 3.02 30
  229 1.69 17
  239 1.14 11
  253 1.19 12
  255 1.02 10
  267 1.6 16
  269 1.42 14
  281 3.37 34
  283 3.23 32
  309 60.45 605
  310 12.24 122
  311 59.41 594
  312 11.74 117
  324 19.66 197
  325 4.13 41
  326 19.45 195
  327 3.91 39
//
