ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001158
RECORD_TITLE: L-MENTHYL 3-ETHYL-4-HYDROXYTRICYCLO(4.3.0.O(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$NAME: L-MENTHYL 3-ETHYL-4-HYDROXYTRICYCLO(4.3.0.O(1,5))NONANE-5-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₆O₃
CH$EXACT_MASS: 348.26645
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/C22H36O3/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/h13-19,23H,5-12H2,1-4H3/t14-,15-,16?,17-,18+,19+,21+,22?/m1/s1
CH$LINK: INCHIKEY QWNGCUFGYYKGMH-FHYZNXDSSA-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$SPLASH: splash10-0536-9700000000-4da25b25af4072f28966
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  40 2 20
  41 55 550
  42 3 30
  43 45 450
  44 2 20
  51 2 20
  53 11 110
  54 6 60
  55 74 740
  56 7 70
  57 37 370
  58 2 20
  65 4 40
  66 3 30
  67 22 220
  68 5 50
  69 45 450
  70 3 30
  71 7 70
  77 12 120
  78 3 30
  79 19 190
  80 4 40
  81 36 360
  82 7 70
  83 99.99 999
  84 7 70
  91 20 200
  92 3 30
  93 13 130
  94 4 40
  95 25 250
  96 6 60
  97 17 170
  105 9 90
  107 7 70
  108 6 60
  109 3 30
  117 5 50
  119 16 160
  120 3 30
  121 4 40
  123 8 80
  126 3 30
  131 2 20
  133 2 20
  135 6 60
  136 38 380
  137 11 110
  138 18 180
  139 13 130
  140 2 20
  145 2 20
  147 34 340
  148 5 50
  149 2 20
  150 2 20
  151 2 20
  154 40 400
  155 3 30
  162 2 20
  163 30 300
  164 16 160
  165 38 380
  166 4 40
  174 3 30
  175 8 80
  176 3 30
  191 12 120
  192 98 980
  193 36 360
  194 4 40
  210 3 30
  211 37 370
  212 5 50
  213 1 10
  292 0.3 3
  330 0.3 3
  347 0.1 1
  348 0.2 2
  349 0.1 1
//