MassBank Record: JP001704



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

ACCESSION: JP001704
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID HEXYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID HEXYL OCTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H34O4 CH$EXACT_MASS: 362.24571 CH$SMILES: CCCCCCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCCCC CH$IUPAC: InChI=1S/C22H34O4/c1-3-5-7-9-10-14-18-26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
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: splash10-03dj-0967000000-f4e2c044e1e756ee43cb PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 67 1.38 14 71 4.14 41 83 2.33 23 85 3.16 32 113 1.47 15 149 99.99 999 150 8.82 88 189 1.63 16 233 37.1 371 234 5.33 53 251 3.96 40 261 27.05 271 262 3.52 35 279 2.67 27 363 70.28 703 364 16.27 163 365 2.31 23 //