MassBank Record: JP001323



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

ACCESSION: JP001323
RECORD_TITLE: PHTHALIC 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$NAME: PHTHALIC ACID DIMETHYL ESTER (D6) CH$NAME: DI(2H3)METHYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10O4 CH$EXACT_MASS: 194.05791 CH$SMILES: [2H]C([2H])([2H])OC(=O)c(c1)c(ccc1)C(=O)OC([2H])([2H])[2H] CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3/i1D3,2D3
AC$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-4900000000-8f6b7990a7ff0c457426 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 18 4.38 44 28 2.46 25 31 1.64 16 32 1.31 13 50 6.13 61 52 1.15 12 64 1.7 17 74 1.64 16 75 1.7 17 76 6.3 63 77 1.1 11 78 18.07 181 79 1.42 14 82 1.37 14 92 7.12 71 104 2.46 25 106 1.37 14 120 1.1 11 134 3.89 39 138 7.72 77 165 1.1 11 166 99.99 999 167 9.42 94 200 6.79 68 //