MassBank Record: JP001157



 L-MENTHYL 3-ETHYL-4-OXOTRICYCLO(4.3.0.0(1,))NONANE-5-CARBOXYLATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //