ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008402
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$SPLASH: splash10-0006-9100000000-c42572db1c258766d25e
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  14 1.08 11
  15 1.85 19
  27 5.68 57
  28 1.84 18
  29 3.02 30
  32 1.88 19
  39 7.44 74
  41 42.66 427
  42 2.36 24
  43 99.99 999
  44 2.01 20
  51 1.33 13
  53 6.18 62
  54 1.08 11
  55 4.18 42
  58 2.65 27
  65 1.52 15
  67 7.17 72
  68 4.62 46
  69 55.26 553
  70 3.01 30
  71 2.34 23
  77 2.33 23
  79 2.43 24
  80 1.22 12
  81 4.07 41
  82 2.47 25
  83 3.32 33
  91 2.08 21
  93 6.59 66
  94 1.06 11
  95 2.3 23
  107 5.58 56
  108 2.61 26
  109 5.83 58
  111 1.53 15
  121 2.86 29
  125 5.19 52
  136 7.05 71
  137 1.11 11
  151 7.49 75
  194 1.59 16
//