ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001676
RECORD_TITLE: CUMENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CUMENE
CH$NAME: ISOPROPYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂
CH$EXACT_MASS: 120.09390
CH$SMILES: CC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
CH$LINK: INCHIKEY RWGFKTVRMDUZSP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021827

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4i-5900000000-85373096cba2d7b6167d
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 0.93 9
  27 5.65 57
  39 7.89 79
  41 4.56 46
  50 3.87 39
  51 13.15 132
  52 3.25 33
  52.5 1.16 12
  53 1.47 15
  63 2.86 29
  65 2.71 27
  74 1.31 13
  75 1.16 12
  76 1.16 12
  77 16.71 167
  78 6.19 62
  79 15.31 153
  89 1.01 10
  91 6.19 62
  103 7.19 72
  104 2.24 22
  105 99.99 999
  106 8.51 85
  119 0.77 8
  120 23.9 239
  121 2.24 22
//