MassBank Record: JP001707



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

ACCESSION: JP001707
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DECYL OCTYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DECYL OCTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C26H42O4 CH$EXACT_MASS: 418.30831 CH$SMILES: c(c1C(=O)OCCCCCCCCCC)(cccc1)C(=O)OCCCCCCCC CH$IUPAC: InChI=1S/C26H42O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
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: splash10-00kb-0940700000-9807bb1bb237f8460b7e PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 70 2.13 21 71 4.34 43 81 0.9 9 83 1.66 17 85 3.23 32 113 1.35 14 141 2.84 28 149 99.99 999 150 8.22 82 189 1.41 14 261 25.56 256 262 4.13 41 263 1.33 13 279 3.5 35 289 15.37 154 290 2.62 26 307 2.46 25 417 0.92 9 419 68.8 688 420 18.68 187 421 3.32 33 //