ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007127
RECORD_TITLE: ISOPROPYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ISOPROPYLBENZENE
CH$NAME: CUMENE
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: CAS 98-82-8
CH$LINK: INCHIKEY RWGFKTVRMDUZSP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021827

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-5900000000-b19bd34b1ebead05ac65
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.29 13
  27 4.77 48
  39 8.36 84
  41 3.37 34
  50 3.91 39
  51 12.2 122
  52 2.51 25
  53 1.39 14
  62 1.1 11
  63 2.96 30
  65 2.49 25
  74 1.3 13
  75 1.17 12
  76 1.2 12
  77 14.9 149
  78 7.19 72
  79 12.17 122
  91 6.2 62
  102 1.11 11
  103 7.79 78
  104 2.2 22
  105 99.99 999
  106 8.27 83
  120 23.95 240
  121 1.88 19
//