MassBank Record: JP005816



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

ACCESSION: JP005816
RECORD_TITLE: BENZYL BUTYL 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$NAME: BENZYL BUTYL PHTHALATE CH$NAME: PHTHALIC ACID BENZYL BUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H20O4 CH$EXACT_MASS: 312.13616 CH$SMILES: CCCCOC(=O)c(c2)c(ccc2)C(=O)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3 CH$LINK: INCHIKEY IRIAEXORFWYRCZ-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$SPLASH: splash10-0002-0930000000-0017c0d829036e58cd6a PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 56 1.42 14 91 15.54 155 92 1.63 16 104 4.43 44 105 3.98 40 106 1 10 107 3.44 34 122 4.85 49 123 16.05 161 124 1.1 11 132 15.77 158 133 2.08 21 135 7.83 78 136 1.92 19 149 99.99 999 150 11.73 117 151 1.09 11 177 1.14 11 178 6.52 65 205 6.6 66 206 42.39 424 207 5.84 58 238 5.06 51 239 1.35 14 312 1.77 18 313 0.52 5 //