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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003316

DIPHENYL PHTHALATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003316
RECORD_TITLE: DIPHENYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DIPHENYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H14O4
CH$EXACT_MASS: 318.08921
CH$SMILES: c(c3)ccc(c3)OC(=O)c(c2)c(ccc2)C(=O)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14H
CH$LINK: INCHIKEY DWNAQMUDCDVSLT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021778

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-2190000000-41c1940cbd92696316a3
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  50 2.3 23
  51 2.7 27
  65 2.7 27
  76 5.4 54
  77 16.5 165
  78 1.4 14
  104 3.6 36
  105 2.6 26
  115 1.6 16
  152 1.3 13
  153 4 40
  197 0.14 1
  225 99.99 999
  226 13.1 131
  227 1.4 14
//

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