ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001154
RECORD_TITLE: METHYL 3-ETHYL-4-HYDROXYTRICYCLO(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$NAME: METHYL 3-ETHYL-4-HYDROXYTRICYCLO(4.3.0.0(1,5))NONANE-5-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀O₃
CH$EXACT_MASS: 224.14124
CH$SMILES: CCC(C1)C(O)C(C(=O)OC)(C32)C(CCC3)12
CH$IUPAC: InChI=1S/C13H20O3/c1-3-8-7-12-6-4-5-9(12)13(12,10(8)14)11(15)16-2/h8-10,14H,3-7H2,1-2H3
CH$LINK: INCHIKEY DGQYWWMBLOMTPO-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$SPLASH: splash10-054x-5900000000-918f5467eb90dfe538e3
PK$NUM_PEAK: 95
PK$PEAK: m/z int. rel.int.
  40 4 40
  41 40 400
  42 3 30
  43 13 130
  45 3 30
  51 7 70
  52 4 40
  53 14 140
  54 3 30
  55 26 260
  56 2 20
  57 17 170
  58 2 20
  59 15 150
  63 3 30
  65 12 120
  66 7 70
  67 20 200
  68 3 30
  69 8 80
  71 5 50
  77 27 270
  78 7 70
  79 31 310
  80 7 70
  81 18 180
  82 3 30
  83 6 60
  85 2 20
  90 2 20
  91 41 410
  92 7 70
  93 32 320
  94 6 60
  95 9 90
  96 2 20
  97 3 30
  103 4 40
  104 2 20
  105 43 430
  106 5 50
  107 14 140
  108 32 320
  109 8 80
  111 2 20
  115 8 80
  116 3 30
  117 26 260
  118 6 60
  119 27 270
  120 4 40
  121 18 180
  122 4 40
  123 4 40
  127 2 20
  128 2 20
  129 2 20
  131 6 60
  132 2 20
  133 7 70
  135 10 100
  136 99.99 999
  137 13 130
  140 21 210
  141 2 20
  144 2 20
  145 12 120
  146 7 70
  147 56 560
  148 7 70
  149 5 50
  150 3 30
  151 3 30
  152 3 30
  153 6 60
  154 2 20
  163 7 70
  164 16 160
  165 48 480
  166 6 60
  168 9 90
  169 4 40
  174 5 50
  175 6 60
  176 4 40
  177 43 430
  178 7 70
  190 10 100
  191 25 250
  192 11 110
  206 18 180
  207 4 40
  223 3 30
  224 14 140
  225 2 20
//