ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001754
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIPROPYL ESTER; CI-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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIPROPYL ESTER
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0udl-0970000000-2677a9e33792d1138de9
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  88 1.06 11
  145 5.79 58
  147 0.27 3
  149 27.05 271
  150 2.53 25
  151 0.21 2
  163 0.58 6
  187 0.19 2
  189 1.58 16
  191 97.44 974
  192 14.47 145
  193 1.75 18
  209 3.29 33
  210 0.24 2
  249 0.24 2
  251 99.99 999
  252 18.84 188
  253 2.43 24
  254 0.19 2
  289 0.48 5
  291 0.69 7
//