ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008658
RECORD_TITLE: GERANIAL DIMETHYL ACETAL; 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$NAME: GERANIAL DIMETHYL ACETAL
CH$NAME: TRANS-3,7-DIMETHYL-2,6-OCTADIENAL DIMETHYLACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: COC(OC)C=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3/b11-9+
CH$LINK: INCHIKEY ZSKAJFSSXURRGL-PKNBQFBNSA-N
CH$LINK: COMPTOX DTXSID00226086

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$SPLASH: splash10-00xu-9200000000-39059b47f392d0dbcad5
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  15 10.16 102
  27 19.52 195
  29 21.7 217
  30 1.57 16
  31 20.84 208
  32 1.1 11
  38 1.17 12
  39 32.04 320
  40 3.49 35
  41 99.99 999
  42 4.06 41
  43 11.55 116
  45 28.34 283
  47 2.04 20
  50 1.45 15
  51 5.12 51
  52 2.65 27
  53 22.93 229
  54 3.96 40
  55 20.26 203
  56 1.39 14
  57 1.47 15
  58 1.68 17
  59 4.44 44
  63 1.28 13
  65 8.01 80
  66 2.35 24
  67 15.85 159
  68 3.23 32
  69 90.46 905
  70 3.57 36
  71 5.44 54
  73 53.08 531
  74 2.08 21
  75 27.58 276
  77 11.65 117
  78 2.34 23
  79 12.82 128
  80 3.26 33
  81 7.32 73
  82 3.23 32
  83 25.9 259
  84 2.16 22
  85 5.76 58
  86 26.41 264
  87 2.24 22
  91 22.14 221
  92 3.37 34
  93 14.39 144
  94 2.28 23
  95 4.46 45
  96 1.21 12
  97 2.62 26
  98 25.15 252
  99 4.84 48
  103 1.29 13
  105 5.34 53
  106 1.58 16
  107 4.98 50
  108 3.46 35
  109 7.08 71
  110 3.25 33
  111 4.19 42
  115 4.44 44
  117 1.43 14
  119 17.23 172
  120 1.81 18
  121 4.43 44
  122 1.14 11
  123 67.66 677
  124 5.24 52
  125 1.62 16
  129 5.18 52
  134 3.45 35
  135 3.33 33
  136 1.04 10
  137 1.33 13
  151 8.08 81
  166 8.75 88
  167 5.38 54
//