ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006127
RECORD_TITLE: DIALLYL PHTHALATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: DIALLYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₄O₄
CH$EXACT_MASS: 246.08921
CH$SMILES: C=CCOC(=O)c(c1)c(ccc1)C(=O)OCC=C
CH$IUPAC: InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
CH$LINK: INCHIKEY QUDWYFHPNIMBFC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020392

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-000i-0900000000-6b65730e91fae31d40c3
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  76 2.32 23
  77 1.11 11
  81 1.92 19
  98 5.34 53
  104 2.71 27
  105 1.46 15
  121 1.03 10
  132 3.77 38
  149 20.72 207
  150 1.8 18
  172 1.75 18
  188 3.69 37
  189 99.99 999
  190 13.3 133
  191 1.38 14
  247 12.38 124
  248 1.67 17
//