MassBank Record: JP001715



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

ACCESSION: JP001715
RECORD_TITLE: HEXANEDIOIC 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$NAME: HEXANEDIOIC ACID DIBUTYL ESTER CH$NAME: DIBUTYL ADIPATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H26O4 CH$EXACT_MASS: 258.18311 CH$SMILES: CCCCOC(=O)CCCCC(=O)OCCCC CH$IUPAC: InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
AC$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$SPLASH: splash10-052r-0960000000-7178a1eeee518afa3f2a PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 66 0.23 2 73 0.47 5 83 0.87 9 84 0.35 4 85 0.47 5 87 1.18 12 90 2.75 28 91 0.17 2 93 0.19 2 100 0.83 8 101 1.98 20 103 0.34 3 111 3.62 36 112 0.36 4 113 0.22 2 127 0.11 1 129 15 150 130 1.03 10 132 8.07 81 143 1 10 145 0.19 2 156 1.27 13 157 0.52 5 159 0.68 7 169 2.5 25 170 0.22 2 171 0.15 2 183 0.31 3 185 99.99 999 186 14.92 149 187 1.77 18 203 0.56 6 243 0.44 4 257 0.59 6 259 84.84 848 260 16.07 161 261 2.04 20 262 0.14 1 299 0.22 2 //