MassBank Record: JP002220



 CYCLOHEXENE-4,5-DICARBOXYLIC ACID DIMETHYLESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002220
RECORD_TITLE: CYCLOHEXENE-4,5-DICARBOXYLIC ACID DIMETHYLESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEXENE-4,5-DICARBOXYLIC ACID DIMETHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H14O4 CH$EXACT_MASS: 198.08921 CH$SMILES: COC(=O)C(C1)C(CC=C1)C(=O)OC CH$IUPAC: InChI=1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-4,7-8H,5-6H2,1-2H3
AC$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-004i-9400000000-64ea1725bf5bc139283e PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 33 5 50 39 4.1 41 50 1.8 18 51 0.34 3 52 2.7 27 53 3.1 31 54 1.5 15 55 0.25 3 59 1.3 13 61 1.5 15 63 0.9 9 65 0.22 2 66 0.9 9 67 1.5 15 68 1.1 11 77 1.27 13 78 38.3 383 79 99.99 999 80 10 100 81 0.34 3 82 0.9 9 91 1.5 15 93 1.5 15 97 0.09 1 105 2.2 22 106 3.6 36 107 13 130 108 0.11 1 110 1.3 13 111 2.2 22 123 1.1 11 137 0.63 6 138 40.8 408 139 5.9 59 166 15.9 159 167 1.66 17 168 1.1 11 198 0.9 9 //