ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007162
RECORD_TITLE: ALPHA-FENCHYL 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$NAME: ALPHA-FENCHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(=O)OC([H])(C(C)21)C(C)(C)C([H])(CC2)C1
CH$IUPAC: InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m1/s1
CH$LINK: INCHIKEY JUWUWIGZUVEFQB-SQLBVSGCSA-N

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$SPLASH: splash10-001l-9200000000-eecec9749be8cea70b0a
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  15 1.99 20
  27 5.13 51
  29 4.59 46
  39 6.67 67
  41 21.3 213
  42 1.73 17
  43 74.3 743
  44 1.38 14
  45 1.6 16
  53 6.36 64
  54 1.17 12
  55 9.26 93
  56 2.04 20
  57 3.47 35
  59 1.39 14
  65 1.7 17
  67 10.06 101
  68 1.91 19
  69 12.82 128
  70 1.28 13
  71 6.12 61
  72 8.64 86
  77 3.65 37
  79 7.08 71
  80 44.2 442
  81 99.99 999
  82 11.61 116
  83 5.24 52
  84 5.05 51
  85 1.56 16
  86 1.5 15
  91 3.19 32
  92 6 60
  93 23.71 237
  94 3.34 33
  95 6.31 63
  96 1.22 12
  97 1.88 19
  98 1.41 14
  99 1.15 12
  105 1.17 12
  107 12.89 129
  108 2.32 23
  109 7.61 76
  110 1.39 14
  111 5.61 56
  113 1.52 15
  114 1.82 18
  115 3.09 31
  121 18.03 180
  122 1.48 15
  123 2.77 28
  135 3.58 36
  136 32.54 325
  137 4.02 40
  139 1.92 19
  153 2.59 26
  154 3.74 37
  196 1.27 13
//