ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004757
RECORD_TITLE: 2-METHYL-2-(2-OXOPROPYL)CYCLOHEXANONE; 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$NAME: 2-METHYL-2-(2-OXOPROPYL)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O2
CH$EXACT_MASS: 168.11503
CH$SMILES: CC(=O)CC(C)(C1)C(=O)CCC1
CH$IUPAC: InChI=1S/C10H16O2/c1-8(11)7-10(2)6-4-3-5-9(10)12/h3-7H2,1-2H3
CH$LINK: INCHIKEY GSNMEWFUVUYCCQ-UHFFFAOYSA-N
AC$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: splash10-0006-9300000000-1947cb7d05e51c9f2213
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  40 17.73 177
  42 16.3 163
  43 99.99 999
  44 10.82 108
  45 1.52 15
  51 1.25 13
  53 4.15 42
  54 2.3 23
  55 35.08 351
  56 4.07 41
  57 2.07 21
  58 6.27 63
  59 2.57 26
  67 10.89 109
  68 3.09 31
  69 10.21 102
  70 2.6 26
  71 2.6 26
  73 2.58 26
  77 1.67 17
  79 3.86 39
  80 1.37 14
  81 8.41 84
  82 15.25 153
  83 7.69 77
  84 5.66 57
  85 7.3 73
  86 1.36 14
  91 2.04 20
  93 6.71 67
  95 2.84 28
  97 8.9 89
  98 4.33 43
  107 4.23 42
  108 4.22 42
  109 3.36 34
  110 8.63 86
  111 57.04 570
  112 6.19 62
  122 3.21 32
  124 6.66 67
  125 10.28 103
  126 3.88 39
  135 4.85 49
  150 3.12 31
  153 2.48 25
  168 13.74 137
  169 1.69 17
//
