ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006958
RECORD_TITLE: 4-TERT-BUTYLCYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 4-TERT-BUTYLCYCLOHEXANONE
CH$NAME: 4-(1,1-DIMETHYLETHYL)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: O=C(C1)CCC(C1)C(C)(C)C
CH$IUPAC: InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY YKFKEYKJGVSEIX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7044394

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4l-9000000000-c3620720df14df5e00ad
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 2.16 22
  27 14.19 142
  28 6.79 68
  29 19.05 191
  32 1.26 13
  39 18.1 181
  40 2.29 23
  41 49.77 498
  42 6.44 64
  43 14.53 145
  51 1.74 17
  53 6.25 63
  54 2.86 29
  55 23.43 234
  56 5.5 55
  57 99.99 999
  58 3.96 40
  65 1.29 13
  67 4.99 50
  68 1.97 20
  69 14.5 145
  70 6.8 68
  77 1.07 11
  79 1.98 20
  80 1.23 12
  81 2.19 22
  83 18.99 190
  84 1.03 10
  95 1.48 15
  97 6.47 65
  98 54.47 545
  99 5.97 60
  121 1.05 11
  139 2.18 22
  154 11.13 111
  155 1.17 12
//