ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009606
RECORD_TITLE: 4-ISOPROPYLPHENYL METHYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: 4-ISOPROPYLPHENYL METHYL KETONE
CH$NAME: 4-ISOPROPYLACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O
CH$EXACT_MASS: 162.10447
CH$SMILES: CC(C)c(c1)ccc(C(C)=O)c1
CH$IUPAC: InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3
CH$LINK: INCHIKEY PDLCCNYKIIUWHA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0052330
AC$INSTRUMENT: JEOL JMS-DX-300
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: splash10-0007-9600000000-4d5212924d216e344ed2
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  27 9.2 92
  29 1.8 18
  39 12.7 127
  40 0.17 2
  41 16.6 166
  42 2 20
  43 95.9 959
  44 0.27 3
  50 5.6 56
  51 15 150
  52 3.9 39
  53 0.33 3
  62 1.6 16
  63 7.7 77
  64 1.7 17
  65 0.79 8
  66 1.1 11
  74 1.8 18
  75 3.2 32
  76 0.57 6
  77 25.2 252
  78 15.7 157
  79 5.7 57
  89 0.47 5
  90 3 30
  91 31.8 318
  92 2.7 27
  93 0.12 1
  101 1 10
  102 6 60
  103 19.5 195
  104 1.6 16
  105 7.8 78
  115 8.4 84
  116 1.7 17
  117 0.77 8
  118 2.8 28
  119 14 140
  120 1.7 17
  131 0.3 3
  132 3.1 31
  133 2.8 28
  147 99.99 999
  148 1.11 11
  162 26.9 269
  163 3.4 34
//
