MassBank Record: JP002231



 CIS-1,2-CYCLOHEXANEDICARBOXYLIC ACID DIMETHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002231
RECORD_TITLE: CIS-1,2-CYCLOHEXANEDICARBOXYLIC ACID DIMETHYL ESTER; 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$NAME: CIS-1,2-CYCLOHEXANEDICARBOXYLIC ACID DIMETHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H16O4 CH$EXACT_MASS: 200.10486 CH$SMILES: COC(=O)C([H])(C1)C([H])(CCC1)C(=O)OC CH$IUPAC: InChI=1S/C10H16O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h7-8H,3-6H2,1-2H3/t7-,8+
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$SPLASH: splash10-001i-9500000000-3c0917c10b26ab363393 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 50 2.9 29 51 1.7 17 52 2.9 29 53 1.04 10 54 9.3 93 55 12.2 122 58 1.7 17 66 0.46 5 67 16.8 168 68 5.2 52 69 2.9 29 76 0.23 2 77 4 40 79 15.6 156 80 51.1 511 81 99.99 999 82 9.8 98 87 5.2 52 94 1.7 17 96 0.17 2 97 1.7 17 98 2.9 29 99 2.3 23 100 0.29 3 101 4.6 46 107 2.9 29 108 51.7 517 109 2.84 28 110 1.7 17 111 6.9 69 112 5.8 58 113 0.63 6 114 3.4 34 125 4.6 46 126 5.2 52 127 0.29 3 128 1.7 17 136 3.4 34 139 3.4 34 140 7.44 74 141 12.7 127 142 2.3 23 145 1.7 17 168 2.32 23 169 22 220 170 2.3 23 //