ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001375
RECORD_TITLE: 1,3-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$NAME: 1,3-DI-TERT-BUTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂
CH$EXACT_MASS: 190.17215
CH$SMILES: CC(C)(C)c(c1)cc(cc1)C(C)(C)C
CH$IUPAC: InChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3
CH$LINK: INCHIKEY ILNDSSCEZZFNGE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80143904

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$SPLASH: splash10-004i-4900000000-8003861a59b25e32ed80
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  40 4.66 47
  55 1.05 11
  57 36.04 360
  58 2.54 25
  64 2.14 21
  65 5.2 52
  66 4.88 49
  77 1.26 13
  79 1.66 17
  80 5.25 53
  91 5.1 51
  103 1.07 11
  105 2.09 21
  115 2.5 25
  116 1.01 10
  117 2.48 25
  119 1.56 16
  128 1.5 15
  129 1.04 10
  145 1.11 11
  147 4.01 40
  159 1.33 13
  175 99.99 999
  176 15.1 151
  177 1.1 11
  190 17.42 174
  191 2.82 28
//