MassBank Record: JP001842



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

ACCESSION: JP001842
RECORD_TITLE: DIMETHYL TEREPHTHALATE; 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$NAME: DIMETHYL TEREPHTHALATE CH$NAME: 1,4-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10O4 CH$EXACT_MASS: 194.05791 CH$SMILES: COC(=O)c(c1)ccc(c1)C(=O)OC CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
AC$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-3900000000-7ee8d82816aa448b1a19 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 15 6.17 62 28 2.77 28 29 1.41 14 38 1.47 15 39 1.64 16 50 12.28 123 51 2.26 23 52 2.89 29 53 1.13 11 59 2.21 22 63 1.41 14 64 1.19 12 66 2.32 23 74 4.47 45 75 9.96 100 76 14.09 141 77 8.55 86 92 2.94 29 103 14.66 147 104 9.05 91 105 1.7 17 107 1.36 14 119 4.53 45 120 7.07 71 135 24.56 246 136 2.15 22 163 99.99 999 164 9.8 98 165 1.08 11 179 2.72 27 194 21.17 212 195 2.26 23 //