MassBank Record: JP003315



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

ACCESSION: JP003315
RECORD_TITLE: BUTYL BENZYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: BUTYL BENZYL PHTHALATE CH$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
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0005-6910000000-07dd9ee73d2c5162f639 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 43 1.8 18 50 3.3 33 51 4.3 43 52 1.1 11 54 2.3 23 55 4.3 43 56 4.1 41 62 0.11 1 65 11 110 73 1.2 12 76 5.7 57 77 0.77 8 78 1.5 15 79 2.7 27 89 2 20 90 0.18 2 91 60.1 601 92 5 50 93 2.3 23 104 0.89 9 105 12.2 122 106 2.2 22 107 4.1 41 108 0.22 2 120 1.1 11 121 2.3 23 122 9.1 91 123 1.16 12 132 11.5 115 133 1.6 16 135 5.2 52 136 0.15 2 149 99.99 999 150 10.5 105 151 1.3 13 165 0.11 1 177 1.2 12 178 5.5 55 205 5.8 58 206 3.53 35 207 4.7 47 238 4.5 45 239 1.8 18 312 1.32 13 313 3.7 37 //