MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003305

DIETHYL PHTHALATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003305
RECORD_TITLE: DIETHYL 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

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CH$NAME: DIETHYL PHTHALATE
CH$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

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0002-1900000000-4412971f705146d2fd1f
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  43 1.8 18
  50 7.1 71
  51 2.1 21
  65 10 100
  66 1.6 16
  74 1.6 16
  77 4.5 45
  93 0.68 7
  104 5.6 56
  105 0.77 8
  132 1.6 16
  149 99.99 999
  150 11.3 113
  151 0.1 1
  176 9.8 98
  177 30 300
  178 6.4 64
  194 0.1 1
  222 11.2 112
  223 2.4 24
//