MassBank Record: JP002178



 2,5-DIMETHYL-2,4-HEXADIENEDIOIC ACID DIMETHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002178
RECORD_TITLE: 2,5-DIMETHYL-2,4-HEXADIENEDIOIC 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$NAME: 2,5-DIMETHYL-2,4-HEXADIENEDIOIC ACID DIMETHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H14O4 CH$EXACT_MASS: 198.08921 CH$SMILES: COC(=O)C(C)=CC=C(C)C(=O)OC CH$IUPAC: InChI=1S/C10H14O4/c1-7(9(11)13-3)5-6-8(2)10(12)14-4/h5-6H,1-4H3/b7-5+,8-6+
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$SPLASH: splash10-000i-5900000000-9492163c668e4c95e698 PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 38 1.5 15 39 9.8 98 41 8.2 82 43 1.33 13 50 1.5 15 51 4.1 41 52 2.8 28 53 0.91 9 54 1 10 55 5.2 52 59 3 30 62 0.06 1 63 0.8 8 65 1.9 19 66 1.5 15 67 0.41 4 68 1.3 13 69 5.4 54 77 10.2 102 78 0.24 2 79 15.9 159 80 2.6 26 81 2.8 28 82 0.06 1 83 2.1 21 84 0.6 6 95 5.2 52 96 0.56 6 97 15.7 157 98 2.8 28 106 1.3 13 107 1.31 13 108 2.8 28 109 1.7 17 110 1.3 13 111 0.3 3 112 12.4 124 113 1 10 117 0.8 8 121 0.1 1 122 1 10 123 3.7 37 124 5.2 52 125 0.08 1 127 0.6 6 135 1 10 137 3.4 34 138 0.32 3 139 99.99 999 140 8.9 89 141 1.3 13 142 0.06 1 143 1.7 17 151 6.7 67 152 1 10 153 0.13 1 155 0.8 8 165 0.8 8 166 1.3 13 167 0.76 8 168 1 10 183 1.9 19 184 1 10 197 0.06 1 198 9.3 93 199 1 10 //