MassBank Record: JP001716



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

ACCESSION: JP001716
RECORD_TITLE: HEXANEDIOIC ACID BIS(2-ETHYLHEXYL) 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$NAME: HEXANEDIOIC ACID BIS(2-ETHYLHEXYL) ESTER CH$NAME: DI(2-ETHYLHEXYL) ADIPATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H42O4 CH$EXACT_MASS: 370.30831 CH$SMILES: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC CH$IUPAC: InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
AC$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$SPLASH: splash10-00fr-1945000000-cc312ed1f7d3b6214b1c PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 65 0.48 5 66 0.54 5 67 0.51 5 69 4.97 50 70 7.23 72 71 11.39 114 77 2.68 27 79 0.36 4 83 5 50 85 2.26 23 91 0.49 5 101 1.64 16 111 4.83 48 112 6.84 68 113 15.42 154 129 99.99 999 130 6.16 62 147 44.55 446 148 1.94 19 169 4.13 41 171 1.46 15 187 1.48 15 189 1.1 11 241 28.42 284 242 4.18 42 259 52.74 527 260 7.78 78 301 1.21 12 369 0.58 6 371 92.43 924 372 22.64 226 373 2.69 27 //