MassBank Record: JP001843



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

ACCESSION: JP001843
RECORD_TITLE: DIMETHYL ISOPHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL ISOPHTHALATE CH$NAME: 1,3-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER 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: HITACHI RMU-7M 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: splash10-03di-3900000000-2d5d2fc06c4790885098 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 15 3.76 38 28 3.25 33 30 1.18 12 38 1.03 10 39 1.08 11 50 10.58 106 51 2.02 20 52 3.25 33 59 1.51 15 63 1 10 64 1 10 66 3.76 38 74 3.29 33 75 8.04 80 76 13.36 134 77 7.86 79 92 2.54 25 103 9.41 94 104 4.23 42 105 1 10 107 2.26 23 119 4.75 48 120 7.53 75 135 31.61 316 136 2.59 26 149 1.93 19 163 99.99 999 164 9.69 97 193 1.79 18 194 16.7 167 195 1.83 18 //