ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002336
RECORD_TITLE: 2-(1-METHYL-3-OXOBUTYL)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$NAME: 2-(1-METHYL-3-OXOBUTYL)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18O2
CH$EXACT_MASS: 182.13068
CH$SMILES: CC(=O)CC(C)C(C1)C(=O)CCC1
CH$IUPAC: InChI=1S/C11H18O2/c1-8(7-9(2)12)10-5-3-4-6-11(10)13/h8,10H,3-7H2,1-2H3
CH$LINK: INCHIKEY QXEQYZLLHMLPPY-UHFFFAOYSA-N
AC$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: splash10-002b-5900000000-8a4151afce912a100d13
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  18 1.6 16
  43 12.77 128
  55 6.04 60
  58 3.57 36
  67 4.62 46
  68 3.17 32
  69 8.14 81
  70 5.25 53
  71 1.71 17
  79 3.2 32
  80 1.6 16
  81 5.69 57
  82 1.75 18
  83 6.58 66
  84 5.6 56
  85 33.8 338
  86 3.59 36
  93 2.41 24
  94 1.93 19
  95 6.05 61
  96 8.54 85
  97 21.52 215
  98 98.62 986
  99 9.54 95
  107 5.36 54
  109 4.62 46
  111 6.7 67
  112 1.79 18
  121 6.53 65
  122 6.62 66
  123 2.81 28
  124 20.21 202
  125 99.99 999
  126 29.11 291
  127 1.86 19
  135 7.47 75
  136 2.97 30
  137 2.15 22
  139 12.73 127
  140 1.93 19
  149 67.29 673
  150 7.96 80
  163 4.66 47
  164 27.87 279
  165 5.33 53
  167 5.66 57
  180 2.55 26
  182 73.12 731
  183 10.1 101
//
