MassBank Record: JP001705



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

ACCESSION: JP001705
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIOCTYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIOCTYL ESTER CH$NAME: DIOCTYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C24H38O4 CH$EXACT_MASS: 390.27701 CH$SMILES: CCCCCCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCCCCCC CH$IUPAC: InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
AC$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$SPLASH: splash10-0005-1944000000-a4c8dbbdb55dc2323227 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 69 5.18 52 71 3.63 36 83 1.43 14 85 2.66 27 113 3.28 33 149 99.99 999 150 8.01 80 261 40.82 408 262 6.49 65 279 4.99 50 391 45.52 455 392 12.37 124 //