MassBank Record: JP001324



 ISOPHTHALIC ACID DIMETHYL ESTER (D6); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001324
RECORD_TITLE: ISOPHTHALIC ACID DIMETHYL ESTER (D6); 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$NAME: ISOPHTHALIC ACID DIMETHYL ESTER (D6) CH$NAME: DI(2H3)METHYL ISOPHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10O4 CH$EXACT_MASS: 194.05791 CH$SMILES: [2H]C([2H])([2H])OC(=O)c(c1)cc(cc1)C(=O)OC([2H])([2H])[2H] CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3/i1D3,2D3
AC$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: splash10-014i-3910000000-0b4b1e1dc8c57a2d19ce PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 18 5.26 53 50 9.87 99 51 1.05 11 52 2.63 26 62 1.46 15 66 2.34 23 74 3.8 38 75 9.29 93 76 13.49 135 77 1.69 17 78 5.2 52 79 1.23 12 92 3.15 32 103 10.22 102 104 3.56 36 110 2.28 23 119 5.26 53 120 7.3 73 138 29.26 293 139 2.39 24 165 1.29 13 166 99.99 999 167 9.81 98 199 1.4 14 200 22.14 221 201 1.93 19 //