ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006687
RECORD_TITLE: 9-ACETOXY-4,4-ETHYLENEDIOXY-1-METHOXYCARBONYL-9-METHYL-7-OXABICYCLO(4.3.0)NONAN-8-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 9-ACETOXY-4,4-ETHYLENEDIOXY-1-METHOXYCARBONYL-9-METHYL-7-OXABICYCLO(4.3.0)NONAN-8-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₀O₈
CH$EXACT_MASS: 328.11582
CH$SMILES: COC(=O)C(C2)(C1CC(O3)(OCC3)C2)C(C)(OC(C)=O)C(=O)O1
CH$IUPAC: InChI=1S/C15H20O8/c1-9(16)23-13(2)11(17)22-10-8-14(20-6-7-21-14)4-5-15(10,13)12(18)19-3/h10H,4-8H2,1-3H3
CH$LINK: INCHIKEY OFYSQZHEUSDXPT-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0005-9410000000-d6f4bc4772f4ecb766f6
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  41 15.1 151
  42 10.8 108
  43 55.2 552
  44 0.54 5
  45 6.5 65
  51 2.6 26
  53 6.8 68
  54 0.32 3
  55 14.4 144
  56 13.1 131
  57 13.1 131
  59 0.42 4
  60 5.2 52
  61 2.9 29
  65 4 40
  66 0.25 3
  67 6.3 63
  68 3.3 33
  69 7.1 71
  70 0.76 8
  71 8.9 89
  73 4.7 47
  77 4.5 45
  78 0.26 3
  79 4.5 45
  81 4.7 47
  82 3.1 31
  83 0.5 5
  84 3.9 39
  85 5.1 51
  86 44.4 444
  87 3.32 33
  88 3.5 35
  89 4.6 46
  91 3.7 37
  93 0.3 3
  95 4.8 48
  96 2.8 28
  97 4.7 47
  98 0.32 3
  99 99.99 999
  100 12.5 125
  101 3.2 32
  105 0.25 3
  107 2.5 25
  109 3.5 35
  111 2.9 29
  112 0.29 3
  113 11 110
  114 6.8 68
  115 19 190
  116 0.27 3
  121 3.2 32
  124 3 30
  126 2.8 28
  127 0.28 3
  129 4.7 47
  137 3.6 36
  138 2.7 27
  139 0.49 5
  140 2.7 27
  141 2.6 26
  144 9.6 96
  145 0.25 3
  148 2.9 29
  149 4 40
  153 3.7 37
  154 0.87 9
  155 12.3 123
  156 2.7 27
  165 7.3 73
  166 0.26 3
  167 5.5 55
  168 3.1 31
  179 2.9 29
  181 0.43 4
  183 5.9 59
  186 3.9 39
  193 2.9 29
  195 3.4 34
  197 0.94 9
  199 8.9 89
  204 2.6 26
  209 3.99 40
  210 7.8 78
  211 3.7 37
  214 6 60
  224 0.42 4
  225 4.5 45
  239 7.4 74
  241 5.2 52
  242 0.25 3
  253 5 50
  255 3.7 37
  268 12.9 129
  269 0.81 8
  270 2.6 26
  297 2.5 25
  298 2.2 22
  328 0.36 4
  329 2.1 21
//