ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001153
RECORD_TITLE: METHYL 3,3-DIETHYL-4-OXOTRICYCLO(4.3.0.0(1,5))NONANE-5-CARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 3,3-DIETHYL-4-OXOTRICYCLO(4.3.0.0(1,5))NONANE-5-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₂O₃
CH$EXACT_MASS: 250.15689
CH$SMILES: COC(=O)C(C(=O)2)(C31)C(CCC3)(CC(CC)(CC)2)1
CH$IUPAC: InChI=1S/C15H22O3/c1-4-13(5-2)9-14-8-6-7-10(14)15(14,11(13)16)12(17)18-3/h10H,4-9H2,1-3H3
CH$LINK: INCHIKEY WCOJHCWNWYBOOQ-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$SPLASH: splash10-014m-9710000000-4f9789ca7562bab7ce39
PK$NUM_PEAK: 125
PK$PEAK: m/z int. rel.int.
  39 15 150
  40 3 30
  41 30 300
  42 3 30
  43 6 60
  45 2 20
  50 2 20
  51 6 60
  52 3 30
  53 13 130
  54 2 20
  55 28 280
  56 2 20
  57 3 30
  59 8 80
  63 2 20
  64 2 20
  65 9 90
  66 5 50
  67 10 100
  68 2 20
  69 7 70
  70 3 30
  71 2 20
  75 1 10
  76 1 10
  77 24 240
  78 9 90
  79 24 240
  80 4 40
  81 8 80
  82 1 10
  83 33 330
  84 3 30
  85 1 10
  89 1 10
  90 1 10
  91 25 250
  92 6 60
  93 23 230
  94 3 30
  95 4 40
  96 1 10
  97 8 80
  98 77 770
  99 6 60
  101 1 10
  102 1 10
  103 3 30
  104 1 10
  105 11 110
  106 6 60
  107 10 100
  108 4 40
  109 3 30
  110 2 20
  111 2 20
  115 3 30
  116 1 10
  117 4 40
  118 1 10
  119 5 50
  120 3 30
  121 10 100
  122 2 20
  123 3 30
  124 1 10
  125 1 10
  127 1 10
  128 2 20
  129 1 10
  131 3 30
  132 1 10
  133 9 90
  134 10 100
  135 3 30
  136 1 10
  137 3 30
  138 6 60
  139 2 20
  140 1 10
  141 1 10
  143 1 10
  144 1 10
  145 2 20
  146 1 10
  147 5 50
  148 3 30
  149 3 30
  150 1 10
  151 3 30
  152 9 90
  153 2 20
  159 1 10
  160 1 10
  161 15 150
  162 12 120
  163 5 50
  164 1 10
  165 3 30
  166 99.99 999
  167 11 110
  168 2 20
  173 2 20
  175 3 30
  176 1 10
  177 1 10
  179 1 10
  180 1 10
  189 6 60
  190 10 100
  191 6 60
  192 1 10
  193 5 50
  194 1 10
  204 1 10
  206 1 10
  208 2 20
  217 1 10
  218 6 60
  219 11 110
  220 2 20
  221 3 30
  222 19 190
  223 3 30
//