ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001374
RECORD_TITLE: 1,4-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$NAME: 1,4-DI-TERT-BUTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂
CH$EXACT_MASS: 190.17215
CH$SMILES: CC(C)(C)c(c1)ccc(c1)C(C)(C)C
CH$IUPAC: InChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3
CH$LINK: INCHIKEY OOWNNCMFKFBNOF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061410

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$SPLASH: splash10-004i-2900000000-ce4322b3716f2a2f4069
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  40 4.37 44
  55 1.25 13
  57 21.96 220
  58 1.25 13
  64 2.31 23
  65 5.23 52
  66 3.26 33
  71 1.18 12
  77 1.59 16
  79 2.17 22
  80 5.27 53
  91 5.82 58
  103 1.1 11
  105 2.26 23
  115 2.59 26
  116 1.11 11
  117 4.09 41
  119 1.24 12
  128 1.7 17
  129 1.4 14
  131 1.24 12
  133 1.15 12
  145 5.67 57
  147 2.19 22
  159 2.21 22
  160 8.85 89
  161 1.3 13
  175 99.99 999
  176 14.37 144
  177 1.23 12
  190 15.45 155
  191 2.69 27
//