MassBank Record: JP010370



 YASHABUSHIKETOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP010370
RECORD_TITLE: YASHABUSHIKETOL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HISAHIRO HAGIWARACHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV., 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 //