ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001012
RECORD_TITLE: PHTHALIC ACID DIPROPYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PHTHALIC ACID DIPROPYL ESTER
CH$NAME: DIPROPYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₄
CH$EXACT_MASS: 250.12051
CH$SMILES: CCCOC(=O)c(c1)c(ccc1)C(=O)OCCC
CH$IUPAC: InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
CH$LINK: INCHIKEY MQHNKCZKNAJROC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5031133

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-2900000000-bf0ca540c11ac034703b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 3.39 34
  29 1.29 13
  31 1.54 15
  39 1.85 19
  41 5.73 57
  42 1.91 19
  43 9.25 93
  50 1.23 12
  65 2.77 28
  76 3.02 30
  77 1.85 19
  93 3.33 33
  104 3.08 31
  105 4.07 41
  121 2.96 30
  122 2.16 22
  123 1.23 12
  149 99.99 999
  150 8.82 88
  151 1.11 11
  191 6.23 62
  192 1 10
  209 4.5 45
//