ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001543
RECORD_TITLE: 1-ISOPROPYL-4-METHYLBENZENE; 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$NAME: 1-ISOPROPYL-4-METHYLBENZENE
CH$NAME: PARA-CYMENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄
CH$EXACT_MASS: 134.10955
CH$SMILES: CC(C)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
CH$LINK: INCHIKEY HFPZCAJZSCWRBC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026645

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$SPLASH: splash10-014i-4900000000-f403355796ccc97b5011
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 3.54 35
  39 7.72 77
  41 8.36 84
  50 1.6 16
  51 4.52 45
  52 1.4 14
  53 1.85 19
  55 1.69 17
  57.5 2.11 21
  58 2.03 20
  58.5 1.81 18
  62 1.02 10
  63 3.23 32
  64 1.35 14
  65 6.68 67
  77 6.63 66
  78 2.35 24
  79 2.68 27
  91 19.27 193
  92 2.15 22
  93 2.87 29
  102 1.1 11
  103 3.28 33
  104 2.57 26
  105 3.28 33
  115 4.86 49
  116 1.53 15
  117 8.63 86
  118 2.14 21
  119 99.99 999
  120 10.48 105
  134 26.06 261
  135 2.9 29
//