ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001377
RECORD_TITLE: 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$NAME: 1,3,5-TRI-TERT-BUTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₀
CH$EXACT_MASS: 246.23475
CH$SMILES: CC(C)(C)c(c1)cc(cc1C(C)(C)C)C(C)(C)C
CH$IUPAC: InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3
CH$LINK: INCHIKEY GUFMBISUSZUUCB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50163255

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$SPLASH: splash10-001i-3190000000-424fee2a2ebac213a9f6
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  40 4.72 47
  55 1.59 16
  57 47.87 479
  58 2.35 24
  91 1.99 20
  94 4.31 43
  100 1.5 15
  108 6.66 67
  109 1.22 12
  115 1.23 12
  117 1.12 11
  128 1.26 13
  129 1.26 13
  131 1.1 11
  159 1.25 13
  175 2.05 21
  203 1.22 12
  215 2.32 23
  231 99.99 999
  232 19.79 198
  233 2.04 20
  246 17.03 170
  247 3.67 37
//