MassBank Record: JP003304



 DIMETHYL ISOPHTHALATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003304
RECORD_TITLE: DIMETHYL ISOPHTHALATE; 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$NAME: DIMETHYL ISOPHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10O4 CH$EXACT_MASS: 194.05791 CH$SMILES: COC(=O)c(c1)cc(cc1)C(=O)OC CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-2900000000-d84767b2ade7053cf483 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 50 8.7 87 51 2.9 29 52 4.2 42 58 2.2 22 62 1.5 15 63 1.5 15 66 4.2 42 74 0.35 4 75 6.9 69 76 11.1 111 77 8.2 82 79 0.12 1 92 3.1 31 103 7.3 73 104 3.5 35 105 0.17 2 107 2.6 26 119 4 40 120 6.2 62 121 0.15 2 129 1.7 17 135 26.1 261 136 2.6 26 149 0.29 3 163 99.99 999 164 11.8 118 165 1.7 17 185 0.13 1 193 3.1 31 194 32.5 325 195 3.5 35 //