ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY FLKPEMZONWLCSK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021780

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
//