ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007242
RECORD_TITLE: 1-(4-ACETOXY-3-METHOXYPHENYL)DEC-4-EN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-(4-ACETOXY-3-METHOXYPHENYL)DEC-4-EN-3-ONE
CH$NAME: SHOGAOL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H26O4
CH$EXACT_MASS: 318.18311
CH$SMILES: CCCCCC=CC(=O)CCc(c1)cc(OC)c(OC(C)=O)c1
CH$IUPAC: InChI=1S/C19H26O4/c1-4-5-6-7-8-9-17(21)12-10-16-11-13-18(23-15(2)20)19(14-16)22-3/h8-9,11,13-14H,4-7,10,12H2,1-3H3/b9-8+
CH$LINK: INCHIKEY UMPBPDLXVPCHRQ-CMDGGOBGSA-N
AC$INSTRUMENT: HITACHI M-52
AC$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$SPLASH: splash10-052r-7940000000-9f55ac8977f6b93dec1a
PK$NUM_PEAK: 113
PK$PEAK: m/z int. rel.int.
  39 5.9 59
  40 0.8 8
  41 15.2 152
  42 0.39 4
  43 29.6 296
  44 1.5 15
  45 0.8 8
  50 0.08 1
  51 4.1 41
  52 2.8 28
  53 4.4 44
  54 0.08 1
  55 33 330
  56 2.6 26
  57 4.4 44
  59 0.1 1
  63 2.6 26
  65 2.3 23
  66 1.5 15
  67 0.18 2
  68 1.8 18
  69 5.9 59
  70 1 10
  71 0.1 1
  73 0.8 8
  77 5.9 59
  78 2.8 28
  79 0.46 5
  80 1.3 13
  81 5.2 52
  82 1 10
  83 0.34 3
  84 0.8 8
  85 1 10
  89 0.8 8
  90 0.08 1
  91 10.3 103
  92 1.3 13
  93 1.3 13
  94 0.36 4
  95 2.8 28
  96 1.3 13
  97 3.1 31
  99 0.13 1
  103 1.3 13
  104 0.8 8
  105 2.6 26
  106 0.15 2
  107 3.9 39
  108 1.3 13
  109 1.5 15
  110 0.1 1
  111 1.3 13
  113 0.8 8
  115 1 10
  116 0.1 1
  117 1.5 15
  118 0.8 8
  119 7 70
  120 0.21 2
  121 1 10
  122 4.4 44
  123 1.8 18
  124 0.39 4
  125 6.4 64
  126 0.8 8
  130 1 10
  131 0.13 1
  132 0.8 8
  133 0.8 8
  134 1 10
  135 0.31 3
  136 1.5 15
  137 99.99 999
  138 10.8 108
  139 0.15 2
  144 1 10
  145 2.6 26
  146 1 10
  147 0.18 2
  148 0.8 8
  149 3.9 39
  150 8 80
  151 1.83 18
  152 5.9 59
  153 1 10
  161 1.3 13
  163 0.1 1
  164 0.8 8
  166 1.5 15
  173 1.8 18
  177 0.13 1
  178 1 10
  179 4.6 46
  187 0.8 8
  189 0.08 1
  190 0.8 8
  192 0.8 8
  194 0.8 8
  199 0.08 1
  204 1 10
  205 37.4 374
  206 6.2 62
  207 0.13 1
  215 0.8 8
  243 0.8 8
  248 0.8 8
  275 0.13 1
  276 51.5 515
  277 8 80
  278 2.1 21
  318 0.36 4
  319 0.3 3
//
