MassBank Record: JP001151



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

ACCESSION: JP001151
RECORD_TITLE: METHYL 4-OXOTRICYCLO(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$NAME: METHYL 4-OXOTRICYCLO(4.3.0.0(1,5))NONANE-5-CARBOXYLATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O3 CH$EXACT_MASS: 194.09429 CH$SMILES: COC(=O)C(C(=O)2)(C31)C(CCC3)(CC2)1 CH$IUPAC: InChI=1S/C11H14O3/c1-14-9(13)11-7-3-2-5-10(7,11)6-4-8(11)12/h7H,2-6H2,1H3
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$SPLASH: splash10-03dl-8900000000-d1435e053228702ed3ea PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 40 5 50 41 21 210 42 5 50 43 9 90 44 5 50 50 7 70 51 16 160 52 11 110 53 16 160 54 4 40 55 21 210 56 3 30 59 12 120 60 3 30 65 13 130 66 10 100 67 12 120 68 4 40 77 32 320 78 17 170 79 37 370 80 7 70 91 47 470 92 23 230 93 78 780 94 12 120 95 8 80 105 14 140 106 20 200 107 21 210 108 8 80 109 4 40 119 8 80 120 9 90 121 8 80 122 4 40 133 10 100 134 25 250 135 28 280 136 4 40 137 8 80 138 7 70 139 3 30 151 7 70 152 48 480 153 8 80 154 4 40 161 4 40 162 99.99 999 163 43 430 164 4 40 165 3 30 166 36 360 167 4 40 194 10 100 195 3 30 //