ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001157
RECORD_TITLE: L-MENTHYL 3-ETHYL-4-OXOTRICYCLO(4.3.0.0(1,))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$NAME: L-MENTHYL 3-ETHYL-4-OXOTRICYCLO(4.3.0.0(1,))NONANE-5-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₄O₃
CH$EXACT_MASS: 346.25079
CH$SMILES: CC(C4)CC(C(C4)C(C)C)OC(=O)C(C(=O)2)(C31)C(CCC3)(CC(CC)2)1
CH$IUPAC: InChI=1S/C22H34O3/c1-5-15-12-21-10-6-7-18(21)22(21,19(15)23)20(24)25-17-11-14(4)8-9-16(17)13(2)3/h13-18H,5-12H2,1-4H3/t14-,15?,16?,17-,18?,21?,22?/m1/s1
CH$LINK: INCHIKEY QYTWWGBGNCCYSF-UPJDIYRESA-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$SPLASH: splash10-0a5c-9610000000-7ee2a7929e776e7517d6
PK$NUM_PEAK: 107
PK$PEAK: m/z int. rel.int.
  39 12 120
  40 3 30
  41 44 440
  42 7 70
  43 36 360
  44 7 70
  45 2 20
  50 2 20
  51 4 40
  52 3 30
  53 8 80
  54 5 50
  55 62 620
  56 12 120
  57 48 480
  58 3 30
  60 2 20
  63 2 20
  64 2 20
  65 4 40
  66 3 30
  67 26 260
  68 8 80
  69 42 420
  70 7 70
  71 11 110
  73 2 20
  77 16 160
  78 5 50
  79 19 190
  80 13 130
  81 42 420
  82 13 130
  83 89 890
  84 8 80
  85 4 40
  86 2 20
  91 10 100
  92 3 30
  93 17 170
  94 10 100
  95 45 450
  96 11 110
  97 17 170
  98 3 30
  99 3 30
  102 2 20
  103 2 20
  104 2 20
  105 5 50
  106 3 30
  107 8 80
  108 4 40
  109 6 60
  110 3 30
  111 3 30
  113 2 20
  115 2 20
  117 3 30
  119 3 30
  120 4 40
  121 8 80
  122 3 30
  123 19 190
  124 4 40
  125 3 30
  127 2 20
  129 2 20
  131 2 20
  133 3 30
  134 5 50
  135 13 130
  136 6 60
  137 4 40
  138 40 400
  139 22 220
  140 3 30
  141 3 30
  143 2 20
  145 2 20
  147 2 20
  149 7 70
  151 2 20
  152 20 200
  153 3 30
  161 3 30
  162 12 120
  163 10 100
  164 44 440
  165 8 80
  166 2 20
  167 2 20
  175 2 20
  179 2 20
  180 21 210
  181 3 30
  186 2 20
  189 3 30
  190 23 230
  191 99.99 999
  192 5 50
  193 3 30
  208 38 380
  209 52 520
  210 2 20
  346 0.8 8
  347 0.6 6
//