MassBank Record: JP009665



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

ACCESSION: JP009665
RECORD_TITLE: DIETHYL TEREPHTHALATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL TEREPHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H14O4 CH$EXACT_MASS: 222.08921 CH$SMILES: CCOC(=O)c(c1)ccc(c1)C(=O)OCC CH$IUPAC: InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3 CH$LINK: INCHIKEY ONIHPYYWNBVMID-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300 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: splash10-004i-3910000000-b0bdfc9b0e4446b70df7 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 26 1.6 16 27 8.9 89 29 14.5 145 39 0.33 3 43 1 10 45 5.7 57 50 9.7 97 51 0.42 4 52 3 30 53 1.1 11 65 23.1 231 66 0.69 7 74 2.6 26 75 7.6 76 76 17.1 171 77 0.4 4 93 2.7 27 103 10.2 102 104 15.2 152 105 0.4 4 121 13.9 139 122 2.8 28 132 1.9 19 133 0.16 2 149 53.2 532 150 9.5 95 151 1.1 11 166 2.89 29 167 2.7 27 176 1.7 17 177 99.99 999 178 1.26 13 179 1.8 18 193 9.7 97 194 21 210 195 0.25 3 221 1.8 18 222 25 250 223 3.5 35 //