ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009648
RECORD_TITLE: 4-TERT-BUTYLPHENYL 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$NAME: 4-TERT-BUTYLPHENYL METHYL KETONE
CH$NAME: 4-TERT-BUTYLACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O
CH$EXACT_MASS: 176.12012
CH$SMILES: CC(=O)c(c1)ccc(c1)C(C)(C)C
CH$IUPAC: InChI=1S/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3
CH$LINK: INCHIKEY UYFJYGWNYQCHOB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061337

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$SPLASH: splash10-03dl-7900000000-00250273ee5543e48d99
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  27 6.2 62
  29 4.8 48
  39 9.4 94
  41 0.98 10
  42 1.7 17
  43 77.6 776
  44 2.2 22
  50 0.36 4
  51 7.7 77
  52 1.6 16
  53 1.8 18
  55 0.14 1
  57 2.8 28
  63 4.6 46
  64 1.5 15
  65 0.55 6
  72 1 10
  74 1.6 16
  75 2.4 24
  76 0.42 4
  77 12 120
  78 3.8 38
  79 2.1 21
  89 0.44 4
  90 6 60
  91 17.4 174
  92 1.7 17
  93 0.1 1
  102 3.8 38
  103 7 70
  104 2.1 21
  105 1.35 14
  106 1.2 12
  115 13.2 132
  116 3.3 33
  117 1.02 10
  118 12.7 127
  119 3.8 38
  131 1.7 17
  133 1.21 12
  134 1.7 17
  145 2.4 24
  146 3.5 35
  147 0.1 1
  161 99.99 999
  162 12.7 127
  166 29.1 291
  167 4.7 47
//