ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008403
RECORD_TITLE: GERANYL ACETONE; 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$NAME: GERANYL ACETONE
CH$NAME: 6,10-DIMETHYL-5,9-UNDECADIEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₂O
CH$EXACT_MASS: 194.16707
CH$SMILES: CC(C)=CCCC(C)=CCCC(C)=O
CH$IUPAC: InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
CH$LINK: INCHIKEY HNZUNIKWNYHEJJ-FMIVXFBMSA-N
CH$LINK: COMPTOX DTXSID4052053

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$SPLASH: splash10-0006-9100000000-c8281af055528616da7a
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 1.62 16
  27 5.1 51
  29 2.83 28
  39 6.93 69
  41 35.27 353
  42 2.01 20
  43 99.99 999
  44 2.1 21
  51 1.15 12
  53 5.46 55
  55 3.6 36
  58 1.86 19
  65 1.38 14
  67 5.98 60
  68 3.8 38
  69 39.47 395
  70 2.05 21
  71 1.54 15
  77 1.71 17
  79 1.99 20
  81 3.03 30
  82 1.5 15
  83 3.02 30
  91 1.69 17
  93 4.07 41
  95 1.51 15
  107 5.53 55
  108 1.71 17
  109 3.06 31
  111 1.19 12
  121 2.17 22
  123 1.09 11
  125 5.59 56
  136 5.99 60
  151 6.49 65
  194 1.05 11
//