MassBank Record: JP006130



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

ACCESSION: JP006130
RECORD_TITLE: BENZYL BUTYL 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$NAME: BENZYL BUTYL PHTHALATE CH$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$INSTRUMENT_TYPE: CI-B AC$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: splash10-052g-7961000000-aa90e1eaafd27f761625 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 76 2.85 29 77 3.01 30 78 1.41 14 79 2.18 22 89 1.75 18 90 1.02 10 91 99.99 999 92 8.06 81 93 1.59 16 104 7 70 105 5.73 57 106 1.1 11 107 3.62 36 108 1.11 11 121 1.79 18 122 4.11 41 123 7.4 74 129 1.09 11 131 6.27 63 132 6.31 63 133 3.76 38 135 3.74 37 149 78.61 786 150 8.16 82 165 2.55 26 178 2.77 28 189 1.79 18 205 51.86 519 206 35.12 351 207 3.65 37 238 6.5 65 240 1.27 13 312 2.54 25 313 15.68 157 314 2.61 26 //