MassBank Record: JP006127



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

ACCESSION: JP006127
RECORD_TITLE: DIALLYL PHTHALATE; CI-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$NAME: DIALLYL PHTHALATE CH$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$INSTRUMENT_TYPE: CI-B AC$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 //