ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005813
RECORD_TITLE: DIALLYL PHTHALATE; EI-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$NAME: DIALLYL PHTHALATE
CH$NAME: PHTHALIC ACID DIALLYL ESTER
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: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-2900000000-3e19a260b13b6088b5c9
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  41 36.83 368
  42 1.34 13
  43 1.67 17
  57 1 10
  69 1.52 15
  70 1.07 11
  80 3.21 32
  83 2.86 29
  98 20.92 209
  99 1.4 14
  105 3.37 34
  117 2.38 24
  118 1.11 11
  121 2.14 21
  132 30 300
  133 3.23 32
  145 1 10
  146 1.44 14
  147 1.6 16
  149 99.99 999
  150 8.92 89
  161 1.77 18
  162 2.07 21
  172 7.76 78
  173 1.14 11
  188 15.88 159
  189 40.64 406
  190 6.26 63
  246 0.19 2
//