ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008620
RECORD_TITLE: 4-TERT-AMYLCYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 4-TERT-AMYLCYCLOHEXANONE
CH$NAME: 4-(1,1-DIMETHYLPROPYL)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O
CH$EXACT_MASS: 168.15142
CH$SMILES: CCC(C)(C)C(C1)CCC(=O)C1
CH$IUPAC: InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY DCSKAMGZSIRJAQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4047127

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$SPLASH: splash10-006y-9000000000-d0a2fa7b15363d59135b
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  15 1.48 15
  26 1.51 15
  27 25.04 250
  29 26.23 262
  39 23.91 239
  40 2.55 26
  41 58.85 589
  42 8.49 85
  43 96.87 969
  44 1.94 19
  51 1.87 19
  52 1.23 12
  53 8.89 89
  54 4.14 41
  55 51.69 517
  56 5.43 54
  57 6.41 64
  65 2.07 21
  66 1.1 11
  67 9.21 92
  68 4.74 47
  69 25.74 257
  70 16.35 164
  71 99.99 999
  72 4.99 50
  77 1.73 17
  79 4.95 50
  80 1.23 12
  81 4.29 43
  82 1.61 16
  83 30.12 301
  84 1.8 18
  93 2.99 30
  95 3.85 39
  96 2.07 21
  97 16.2 162
  98 93.57 936
  99 7.77 78
  111 1.29 13
  121 2.26 23
  135 1.45 15
  138 4.6 46
  153 1.82 18
  168 8.85 89
  169 1.21 12
//