ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007557
RECORD_TITLE: ALPHA-IONONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-IONONE
CH$NAME: (R-(E))-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀O
CH$EXACT_MASS: 192.15142
CH$SMILES: CC(=O)C([H])=C([H])C([H])(C(C)=1)C(C)(C)CCC([H])1
CH$IUPAC: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m0/s1
CH$LINK: CAS 24190-29-2
CH$LINK: INCHIKEY UZFLPKAIBPNNCA-GUOLPTJISA-N

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0076-6900000000-0d604eb8b56437636516
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  41 3.44 34
  43 42.18 422
  55 7.4 74
  57 5.76 58
  69 9.85 99
  70 4.61 46
  77 9.68 97
  79 10.57 106
  92 13.44 134
  93 93.05 931
  108 16.36 164
  109 26.01 260
  121 99.99 999
  122 11.14 111
  136 88.07 881
  137 16.09 161
  149 5.49 55
  177 7.74 77
  192 17.73 177
  193 2.53 25
//