MassBank Record: JP001325

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

ACCESSION: JP001325
RECORD_TITLE: TEREPHTHALIC ACID DIMETHYL ESTER (D6); EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: TEREPHTHALIC ACID DIMETHYL ESTER (D6) CH$NAME: DI(2H3)METHYL TEREPHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10O4 CH$EXACT_MASS: 194.05791 CH$SMILES: [2H]C([2H])([2H])OC(=O)c(c1)ccc(c1)C(=O)OC([2H])([2H])[2H] CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3/i1D3,2D3 CH$LINK: INCHIKEY WOZVHXUHUFLZGK-WFGJKAKNSA-N
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$SPLASH: splash10-014i-2910000000-b66dc699681b5861f86b PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 18 5.06 51 50 8.43 84 52 1.97 20 62 1.46 15 66 1.63 16 74 3.2 32 75 7.36 74 76 8.99 90 78 3.03 30 92 2.25 23 103 12.42 124 104 5.51 55 119 3.09 31 120 5.28 53 138 20.79 208 139 1.46 15 165 1.35 14 166 99.99 999 167 9.49 95 182 1.12 11 200 23.48 235 201 2.25 23 //