ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007241
RECORD_TITLE: 1-(4-HYDROXY-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$NAME: 1-(4-HYDROXY-3-METHOXYPHENYL)DEC-4-EN-3-ONE
CH$NAME: SHOGAOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₄O₃
CH$EXACT_MASS: 276.17254
CH$SMILES: CCCCCC=CC(=O)CCc(c1)cc(OC)c(O)c1
CH$IUPAC: InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
CH$LINK: CAS 555-66-8
CH$LINK: INCHIKEY OQWKEEOHDMUXEO-BQYQJAHWSA-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 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4r-4930000000-5de265c24ec2e5be7000
PK$NUM_PEAK: 110
PK$PEAK: m/z int. rel.int.
  39 1.1 11
  41 12.3 123
  43 6.8 68
  45 0.14 1
  51 1.1 11
  53 2.5 25
  55 39.7 397
  56 0.19 2
  57 2.7 27
  59 2.2 22
  63 0.8 8
  65 0.3 3
  66 1.4 14
  67 2.7 27
  68 1.1 11
  69 1.15 12
  70 1.1 11
  71 1.9 19
  77 2.7 27
  78 0.14 1
  79 4.1 41
  81 6.6 66
  82 1.9 19
  83 0.44 4
  84 0.8 8
  89 1.1 11
  91 34.2 342
  92 0.49 5
  93 4.9 49
  94 3.8 38
  95 6.6 66
  96 0.19 2
  97 3.6 36
  98 1.1 11
  103 2.5 25
  105 0.3 3
  106 1.1 11
  107 7.1 71
  108 3.3 33
  109 0.36 4
  110 0.8 8
  115 1.1 11
  117 2.7 27
  118 0.11 1
  119 24.1 241
  120 3 30
  121 4.7 47
  122 1.12 11
  123 1.9 19
  124 8.8 88
  125 16.7 167
  126 0.16 2
  129 1.6 16
  131 4.7 47
  132 1.6 16
  133 0.14 1
  134 1.6 16
  135 9.6 96
  136 6.8 68
  137 99.99 999
  138 15.1 151
  139 2.5 25
  142 0.8 8
  143 0.19 2
  144 1.1 11
  145 6 60
  146 1.1 11
  147 0.25 3
  148 2.2 22
  149 2.5 25
  150 20.5 205
  151 3.84 38
  152 4.4 44
  153 1.1 11
  157 1.4 14
  159 0.22 2
  160 1.1 11
  161 4.1 41
  162 1.1 11
  163 0.33 3
  164 1.4 14
  166 1.1 11
  173 1.4 14
  174 0.14 1
  175 3.3 33
  176 0.8 8
  177 3.8 38
  178 0.08 1
  179 4.7 47
  187 3 30
  189 1.4 14
  190 0.14 1
  191 2.5 25
  201 1.1 11
  202 0.8 8
  204 0.14 1
  205 82.2 822
  206 14 140
  207 1.9 19
  210 0.08 1
  218 1.9 19
  219 0.8 8
  220 0.8 8
  232 0.08 1
  248 2.2 22
  259 0.8 8
  275 1.1 11
  276 6.58 66
  277 13.2 132
  278 5.2 52
//