ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007164
RECORD_TITLE: LAVANDULYL ACETATE; 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$NAME: LAVANDULYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(C)=CCC([H])(COC(C)=O)C(C)=C
CH$IUPAC: InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3/t12-/m0/s1
CH$LINK: INCHIKEY HYNGAVZPWWXQIU-LBPRGKRZSA-N
CH$LINK: COMPTOX DTXSID6051932

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$SPLASH: splash10-00kf-9100000000-86d590db81460b1972b1
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 2.65 27
  27 6.21 62
  29 4.95 50
  39 10.6 106
  40 2.55 26
  41 50.83 508
  42 3.25 33
  43 75.06 751
  44 1.49 15
  51 1.5 15
  52 1.04 10
  53 8.85 89
  55 5.22 52
  57 1.05 11
  65 2.44 24
  66 1.25 13
  67 14.01 140
  68 44.03 440
  69 99.99 999
  70 6.01 60
  77 4.91 49
  79 7.33 73
  80 11.58 116
  81 8.13 81
  82 3.45 35
  83 1.16 12
  84 1.81 18
  85 5.84 58
  86 1.54 15
  91 6.3 63
  92 8.97 90
  93 63.37 634
  94 8.06 81
  95 2.42 24
  105 3.22 32
  107 6.94 69
  108 1.73 17
  121 19.99 200
  122 1.72 17
  123 3.06 31
  127 1.86 19
  136 18.36 184
  137 2.78 28
//