MassBank Record: JP001189



 1-ALPHA-2-ALPHA-EPOXY-3-OXO-5,6-DIHYDROALANTOLACTONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001189
RECORD_TITLE: 1-ALPHA-2-ALPHA-EPOXY-3-OXO-5,6-DIHYDROALANTOLACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAGAKI M, DEPT. OF GENERAL EDUC., HIROSAKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-ALPHA-2-ALPHA-EPOXY-3-OXO-5,6-DIHYDROALANTOLACTONE CH$NAME: HIMEYOSHIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H18O4 CH$EXACT_MASS: 262.12051 CH$SMILES: O=C(O1)C(=C)C([H])(C4)C([H])1CC(C)(C([H])43)C([H])(O2)C([H])(C(=O)C([H])(C)3)2 CH$IUPAC: InChI=1S/C15H18O4/c1-6-8-4-9-7(2)11(16)12-13(19-12)15(9,3)5-10(8)18-14(6)17/h7-10,12-13H,1,4-5H2,2-3H3/t7-,8-,9+,10-,12+,13+,15-/m1/s1
AC$INSTRUMENT: JEOL JMS-D-100 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: splash10-0ce9-2950000000-8a601d71efa53085f70f PK$NUM_PEAK: 87 PK$PEAK: m/z int. rel.int. 43 38.6 386 56 18.18 182 57 9.09 91 69 32.39 324 70 9.09 91 71 15.91 159 82 15.91 159 85 9.66 97 91 17.05 171 93 10.8 108 95 20.45 205 96 17.05 171 97 12.5 125 98 9.66 97 105 16.47 165 106 13.64 136 107 14.21 142 109 14.77 148 110 9.66 97 112 9.66 97 117 8.52 85 119 14.77 148 120 15.91 159 121 14.77 148 122 15.91 159 123 21.59 216 124 9.09 91 131 26.14 261 132 11.36 114 133 23.86 239 134 11.36 114 135 20.45 205 136 20.45 205 137 16.48 165 143 14.44 144 144 10.23 102 145 30.68 307 147 17.05 171 148 9.09 91 149 69.32 693 150 14.77 148 151 16.47 165 155 10.23 102 159 48.86 489 160 16.47 165 161 32.95 330 162 11.36 114 163 16.47 165 164 9.66 97 165 13.64 136 169 11.36 114 170 16.47 165 171 18.18 182 172 9.66 97 173 18.18 182 174 9.66 97 175 7.95 80 176 26.14 261 177 47.73 477 178 26.14 261 183 10.23 102 187 23.86 239 188 16.48 165 189 14.2 142 190 16.48 165 191 25 250 192 47.61 476 198 13.64 136 199 15.91 159 201 23.29 233 203 9.09 91 204 9.66 97 205 51.14 511 206 44.32 443 211 9.66 97 215 27.27 273 216 42.05 421 217 15.91 159 219 99.99 999 220 15.91 159 223 18.18 182 233 94.76 948 244 23.9 239 246 13.19 132 247 10.02 100 262 78.7 787 263 9.66 97 //