ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008659
RECORD_TITLE: NERAL 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$NAME: NERAL DIMETHYL ACETAL
CH$NAME: CIS-3,7-DIMETHYL-2,6-OCTADIENAL DIMETHYL ACETAL
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-LUAWRHEFSA-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$SPLASH: splash10-00xu-9200000000-3a4f5968d8c2a3615e4d
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  15 7.39 74
  27 19.47 195
  29 20.66 207
  30 1.37 14
  31 20.58 206
  38 1.23 12
  39 31.89 319
  40 3.17 32
  41 99.99 999
  42 4.23 42
  43 12.16 122
  45 26.26 263
  47 1.73 17
  50 1.5 15
  51 5.62 56
  52 2.8 28
  53 22.49 225
  54 3.94 39
  55 20.02 200
  56 1.57 16
  57 1.35 14
  58 1.75 18
  59 4.38 44
  63 1.49 15
  65 5.73 57
  66 2.2 22
  67 15.97 160
  68 3.7 37
  69 75.6 756
  70 3.42 34
  71 5.2 52
  73 46.3 463
  74 1.86 19
  75 14.84 148
  77 11.22 112
  78 2.45 25
  79 12.09 121
  80 3.66 37
  81 6.66 67
  82 3.6 36
  83 28.27 283
  84 3.01 30
  85 4.59 46
  86 29.17 292
  87 3.35 34
  91 21.04 210
  92 3.48 35
  93 14.81 148
  94 2.9 29
  95 4.99 50
  97 2.79 28
  98 24.38 244
  99 3.54 35
  103 1.24 12
  105 5.4 54
  106 1.52 15
  107 5.7 57
  108 2.95 30
  109 6.14 61
  110 3.75 38
  111 3.58 36
  115 5.19 52
  117 1.59 16
  119 18.91 189
  120 1.71 17
  121 4.94 49
  122 1.3 13
  123 81.96 820
  124 5.84 58
  125 1.14 11
  128 2.27 23
  129 2.09 21
  134 4.76 48
  135 4.02 40
  136 1.38 14
  137 1.43 14
  141 3.7 37
  151 8.18 82
  166 7.58 76
  167 1.35 14
//