MassBank Record: JP001158



 L-MENTHYL 3-ETHYL-4-HYDROXYTRICYCLO(4.3.0.O(1,5))NONANE-5-CARBOXYLATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //