ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010370
RECORD_TITLE: YASHABUSHIKETOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: YASHABUSHIKETOL
CH$NAME: 5-HYDROXY-3-OXO-1,7-DIPHENYL-1-HEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₀O₂
CH$EXACT_MASS: 280.14633
CH$SMILES: OC(CCc(c2)cccc2)CC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C19H20O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,19,21H,12,14-15H2/b13-11+
CH$LINK: INCHIKEY OUAINJWTDRNZIJ-ACCUITESSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-001m-2900000000-0c66bb6c24063783837c
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  32 3.03 30
  43 4.69 47
  44 1.17 12
  55 2.24 22
  56 1.63 16
  65 3.03 30
  77 12.1 121
  78 13.86 139
  79 6.09 61
  91 50.35 504
  92 43.3 433
  93 3.38 34
  102 2.09 21
  103 33.94 339
  104 16.04 160
  105 23.06 231
  106 2.99 30
  107 1.99 20
  115 4.97 50
  116 8.14 81
  117 13.82 138
  118 2.42 24
  127 5.9 59
  128 3.92 39
  129 5.5 55
  130 10.78 108
  131 99.99 999
  132 15.25 153
  133 13.48 135
  134 31.54 315
  135 3.31 33
  143 2.55 26
  144 1.83 18
  145 32.41 324
  146 41.93 419
  147 8.92 89
  148 3.73 37
  149 1.18 12
  157 3.65 37
  158 5.44 54
  159 1 10
  170 1.2 12
  171 8.63 86
  172 1.17 12
  175 21.85 219
  176 4.54 45
  189 3.23 32
  193 1.14 11
  234 1.06 11
  261 1.79 18
  262 8.68 87
  263 1.93 19
  280 7.39 74
  281 1.78 18
//