ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004776
RECORD_TITLE: 2,2,4-TRIMETHYL-4-PHENYLCYCLOPENTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2,2,4-TRIMETHYL-4-PHENYLCYCLOPENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O
CH$EXACT_MASS: 202.13577
CH$SMILES: c(c2)ccc(c2)C(C)(C1)CC(C)(C)C(=O)1
CH$IUPAC: InChI=1S/C14H18O/c1-13(2)10-14(3,9-12(13)15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
CH$LINK: INCHIKEY SHZFCSMUTTUMRK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60499850
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-014i-2910000000-d8a6d8fd4ed5624dff4f
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41 8.32 83
  43 1.67 17
  51 3.96 40
  53 1.82 18
  55 3.24 32
  56 5.7 57
  65 2.82 28
  70 1.99 20
  77 8.3 83
  78 7.14 71
  79 1.63 16
  91 10.74 107
  102 1.79 18
  103 10.15 102
  105 2.84 28
  115 6.98 70
  116 2.19 22
  117 21.69 217
  118 99.99 999
  119 11.65 117
  128 2.29 23
  129 2.28 23
  131 2.85 29
  145 23.77 238
  146 4.82 48
  159 7.88 79
  160 2.19 22
  187 3.5 35
  202 33.88 339
  203 5.31 53
//
