ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008624
RECORD_TITLE: 4-PHENYL-4-METHYL-2-PENTANONE; 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$NAME: 4-PHENYL-4-METHYL-2-PENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O
CH$EXACT_MASS: 176.12012
CH$SMILES: CC(=O)CC(C)(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
CH$LINK: INCHIKEY PFDVPCSDZXZDMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6064664

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$SPLASH: splash10-00kf-9700000000-482f6e75a87a2ee4a39f
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 2.9 29
  27 4.26 43
  29 2.37 24
  39 8.61 86
  41 13.48 135
  42 2.09 21
  43 78.44 784
  44 1.27 13
  50 2.11 21
  51 7.9 79
  52 1.62 16
  53 1.5 15
  55 3.4 34
  63 2.95 30
  65 4.64 46
  75 1.01 10
  76 1.09 11
  77 12.64 126
  78 6.07 61
  79 6.51 65
  89 1.27 13
  91 54.1 541
  92 4.57 46
  102 1.62 16
  103 7.77 78
  104 1.15 12
  105 1.99 20
  115 6.39 64
  116 1.51 15
  117 7.47 75
  118 22.14 221
  119 99.99 999
  120 9.3 93
  161 1.23 12
  176 15.41 154
  177 1.59 16
//