ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001765
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIBENZYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIBENZYL ESTER
CH$NAME: DIBENZYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₁₈O₄
CH$EXACT_MASS: 346.12051
CH$SMILES: c(c3)ccc(c3)COC(=O)c(c2)c(ccc2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C22H18O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2
CH$LINK: INCHIKEY UCVPKAZCQPRWAY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80870581

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4m-3900000000-b9a3101ae3514e3ff789
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  17 2.14 21
  18 4.92 49
  28 2.6 26
  32 0.53 5
  79 3.02 30
  91 36.32 363
  92 18.29 183
  93 1.61 16
  104 2.22 22
  105 2.32 23
  107 99.99 999
  108 8.05 81
  121 0.7 7
  132 2.54 25
  133 0.8 8
  149 62.23 622
  150 5.88 59
  238 0.44 4
  255 0.59 6
//