MassBank Record: JP001700



 1,2-BENZENEDICARBOXYLIC ACID DIBUTYL ESTER; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001700
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIBUTYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIBUTYL ESTER CH$NAME: DIBUTYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H22O4 CH$EXACT_MASS: 278.15181 CH$SMILES: CCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCC CH$IUPAC: InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0a6s-0490000000-bb10c8ff49d65e9fbcfd PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 65 0.29 3 67 0.3 3 73 0.11 1 79 1.7 17 91 0.33 3 93 0.41 4 104 0.29 3 105 0.83 8 108 6.99 70 109 0.23 2 121 0.26 3 123 0.25 3 133 0.52 5 149 75.77 758 150 9.86 99 151 2.73 27 163 0.74 7 177 0.15 2 187 0.18 2 189 2.55 26 205 99.99 999 206 12.19 122 207 2.11 21 223 3 30 224 0.42 4 277 0.13 1 279 60.77 608 280 10.72 107 281 1.41 14 //