ACCESSION: JP011018
RECORD_TITLE: HEXAACETOXYTROPONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKESHITA H, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEXAACETOXYTROPONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₈O₁₃
CH$EXACT_MASS: 454.07474
CH$SMILES: CC(=O)OC(C(=O)1)=C(OC(C)=O)C(OC(C)=O)=C(OC(C)=O)C(OC(C)=O)=C(OC(C)=O)1
CH$IUPAC: InChI=1S/C19H18O13/c1-7(20)27-14-13(26)15(28-8(2)21)17(30-10(4)23)19(32-12(6)25)18(31-11(5)24)16(14)29-9(3)22/h1-6H3
CH$LINK: INCHIKEY HPDMRQSEFFTVEP-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udr-0391000000-f8c7628cbebd6067d8f5
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  151 5.46 55
  152 3.56 36
  157 3.41 34
  158 3.52 35
  159 2.99 30
  163 4.02 40
  167 4.53 45
  171 3.56 36
  173 9.8 98
  174 3.08 31
  177 3.26 33
  184 8.4 84
  185 4.9 49
  186 48.51 485
  187 4.98 50
  201 17.72 177
  202 99.99 999
  203 7.56 76
  204 3.51 35
  208 4.67 47
  213 3.31 33
  226 8.43 84
  227 3.56 36
  228 12.78 128
  236 8.1 81
  237 4.23 42
  241 2.96 30
  243 5.76 58
  244 50.44 504
  245 6.14 61
  247 1.16 12
  250 1.84 18
  251 1.3 13
  255 2.22 22
  256 1.72 17
  257 1.68 17
  264 1.7 17
  268 6.89 69
  269 1.28 13
  270 6.34 63
  271 1.99 20
  275 1.72 17
  276 1.19 12
  278 1.11 11
  279 1.71 17
  284 4.12 41
  285 2.5 25
  286 28.33 283
  287 2.22 22
  288 1.85 19
  310 2.44 24
  312 3.74 37
  327 1.31 13
  328 13.78 138
  329 2.33 23
  353 1.71 17
  354 1.16 12
  368 3.37 34
  369 1.61 16
  370 15.49 155
  371 2.22 22
  386 1.25 13
  410 1.09 11
  412 1.99 20
//