ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006953
RECORD_TITLE: 3,5,5-TRIMETHYL-2-CYCLOHEXENONE; 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$NAME: 3,5,5-TRIMETHYL-2-CYCLOHEXENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₄O
CH$EXACT_MASS: 138.10447
CH$SMILES: CC(=C1)CC(C)(C)CC(=O)1
CH$IUPAC: InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
CH$LINK: INCHIKEY HJOVHMDZYOCNQW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020759

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$SPLASH: splash10-001i-9000000000-35f5f51e1d1c8b9f41eb
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 1.14 11
  28 33.31 333
  29 7.49 75
  38 1.11 11
  39 21.22 212
  40 1.45 15
  41 10.41 104
  42 1.96 20
  43 1.06 11
  50 1.13 11
  51 3.09 31
  52 1.51 15
  53 7.27 73
  54 14.35 144
  55 5.77 58
  65 1.25 13
  67 4.5 45
  69 1.07 11
  77 2.8 28
  79 2.69 27
  81 1.12 11
  82 99.99 999
  83 6.16 62
  95 5.71 57
  123 1.35 14
  138 14.86 149
  139 1.27 13
//