ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009607
RECORD_TITLE: METHYL 2,4,6-TRIMETHYLPHENYL 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$NAME: METHYL 2,4,6-TRIMETHYLPHENYL KETONE
CH$NAME: 2,4,6-TRIMETHYLACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O
CH$EXACT_MASS: 162.10447
CH$SMILES: Cc(c1)cc(C)c(C(C)=O)c(C)1
CH$IUPAC: InChI=1S/C11H14O/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6H,1-4H3
CH$LINK: INCHIKEY XWCIICLTKWRWCI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1061865

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$SPLASH: splash10-00mk-6900000000-849258fb9d6b395bcfb4
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  27 10 100
  28 11.5 115
  29 1.9 19
  32 0.22 2
  38 1 10
  39 18.6 186
  40 2.5 25
  41 1.55 16
  42 2.7 27
  43 40.4 404
  50 3.9 39
  51 1.5 15
  52 5.6 56
  53 9 90
  55 1 10
  58 0.1 1
  62 1.8 18
  63 9 90
  64 2.7 27
  65 1.55 16
  66 4 40
  67 1.2 12
  74 1.7 17
  75 0.25 3
  76 2.2 22
  77 29.7 297
  78 11.2 112
  79 0.82 8
  80 1.7 17
  89 4.5 45
  90 1.3 13
  91 4.48 45
  92 4.4 44
  93 3 30
  102 4.2 42
  103 1.51 15
  104 9.5 95
  105 5.5 55
  115 19.6 196
  116 0.5 5
  117 17.3 173
  118 5 50
  119 54.4 544
  120 0.59 6
  128 2 20
  129 1 10
  133 2.2 22
  146 0.1 1
  147 99.99 999
  148 10.8 108
  162 22.7 227
  163 2.7 27
//