MassBank Record: JP005812



 DIETHYL PHTHALATE; EI-B; MS 
Mass Spectrum
Chemical Structure


ACCESSION: JP005812
RECORD_TITLE: DIETHYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL PHTHALATE CH$NAME: PHTHALIC ACID DIETHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H14O4 CH$EXACT_MASS: 222.08921 CH$SMILES: CCOC(=O)c(c1)c(ccc1)C(=O)OCC CH$IUPAC: InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004j-0910000000-3da30560fd9393855d42 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 105 2.16 22 122 2.35 24 132 1.53 15 149 99.99 999 150 16.25 163 151 1.9 19 164 1.3 13 176 39.23 392 177 89.33 893 178 21.88 219 179 1.91 19 194 3.6 36 195 1.87 19 221 4.04 40 222 37.54 375 223 6.6 66 224 0.91 9 //