ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001192
RECORD_TITLE: 1-BETA-HYDROXY-4,5-ALPHA-EPOXY-ALANTOLACTONE; 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$NAME: 1-BETA-HYDROXY-4,5-ALPHA-EPOXY-ALANTOLACTONE
CH$NAME: MERIDIANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H20O4
CH$EXACT_MASS: 264.13616
CH$SMILES: O=C(O1)C(=C)C([H])(C2)C([H])1CC(C)(C([H])(O)4)C2(O3)C(C)(CC4)3
CH$IUPAC: InChI=1S/C15H20O4/c1-8-9-6-15-13(2,7-10(9)18-12(8)17)11(16)4-5-14(15,3)19-15/h9-11,16H,1,4-7H2,2-3H3/t9-,10+,11+,13-,14+,15-/m0/s1
CH$LINK: INCHIKEY HGCXXEYNHRNBTF-JQRSIXJKSA-N
CH$LINK: COMPTOX DTXSID30996326
AC$INSTRUMENT: Unknown
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: splash10-0fka-0090000000-ff3c9ae9aeaf8899b61a
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  199 14.96 150
  200 13.24 132
  201 7.91 79
  202 84.32 843
  203 17.99 180
  204 14.1 141
  205 6.33 63
  206 57.27 573
  207 15.11 151
  208 5.03 50
  210 3.45 35
  211 3.17 32
  212 11.94 119
  213 3.17 32
  214 7.48 75
  215 4.46 45
  216 20.29 203
  217 17.84 178
  218 8.49 85
  219 16.26 163
  220 79.71 797
  221 68.78 688
  222 13.96 140
  223 2.73 27
  224 4.75 48
  226 1.73 17
  227 11.8 118
  228 2.3 23
  229 5.61 56
  230 27.34 273
  231 15.25 153
  232 7.91 79
  233 3.02 30
  234 44.46 445
  235 9.21 92
  237 1.58 16
  239 1.29 13
  241 2.58 26
  243 2.59 26
  244 2.88 29
  245 9.93 99
  246 5.47 55
  247 8.49 85
  248 99.99 999
  249 16.69 167
  250 2.16 22
  252 2.59 26
  253 1.58 16
  255 1.58 16
  257 2.16 22
  260 1.73 17
  262 3.6 36
  263 11.8 118
  264 4.17 42
  265 1.44 14
//
