ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008090
RECORD_TITLE: PARA-DIISOPROPYLBENZENE; 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$NAME: PARA-DIISOPROPYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈
CH$EXACT_MASS: 162.14085
CH$SMILES: CC(C)c(c1)ccc(C(C)C)c1
CH$IUPAC: InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
CH$LINK: INCHIKEY SPPWGCYEYAMHDT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026652

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-1900000000-48b0197f94d6ea4bc350
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  41 2.74 27
  43 13.69 137
  79 1.61 16
  91 9.66 97
  92 1.13 11
  105 12.88 129
  106 1.45 15
  117 3.06 31
  118 1.29 13
  119 32.85 329
  120 3.54 35
  131 2.58 26
  132 3.06 31
  133 1.29 13
  145 2.74 27
  146 1.12 11
  147 99.99 999
  148 12.56 126
  149 0.97 10
  161 1.29 13
  162 36.07 361
  163 4.83 48
//