ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000292
RECORD_TITLE: 1,1,4,4-TETRAPHENYLBUTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1,1,4,4-TETRAPHENYLBUTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₂₆
CH$EXACT_MASS: 362.20345
CH$SMILES: C(CC(c(c4)cccc4)c(c3)cccc3)C(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C28H26/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2
CH$LINK: INCHIKEY RYRPAXUFKAJVQC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20163949

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-014i-2900000000-7bdcb22a23df301c96bf
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  41 1.1 11
  42 1 10
  43 5.5 55
  44 0.13 1
  51 1.7 17
  57 1.1 11
  63 1 10
  65 0.28 3
  77 4.1 41
  79 1 10
  86 4.5 45
  88 0.68 7
  89 1.2 12
  91 19 190
  92 2.1 21
  102 0.12 1
  103 2.1 21
  105 2.2 22
  115 3.5 35
  117 0.12 1
  118 1 10
  128 1.3 13
  141 1.1 11
  145 0.2 2
  151 1 10
  152 10.5 105
  153 1.7 17
  162 0.29 3
  164 1 10
  165 16.8 168
  166 7.5 75
  167 99.99 999
  168 16.3 163
  169 1.7 17
  178 1.7 17
  179 0.15 2
  180 5.5 55
  181 1.4 14
  182 1.4 14
  193 0.1 1
  195 1.1 11
  362 8.8 88
  363 2.7 27
//