MassBank Record: JP005813



 DIALLYL PHTHALATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP005813
RECORD_TITLE: DIALLYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HASHIMOTO KKYOTO COLLEGE OF PHARMACY, 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
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 //