MassBank Record: JP003386



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

ACCESSION: JP003386
RECORD_TITLE: DIBUTYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052r-4900000000-34d9c329357a1a91230e PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 43 7.8 78 54 19.7 197 55 25.4 254 56 21.2 212 58 4.5 45 59 4.6 46 60 2.5 25 73 0.59 6 83 10.8 108 84 4.6 46 87 20.5 205 91 0.21 2 100 12.5 125 101 17.2 172 102 2.9 29 111 2.97 30 112 4.9 49 128 2.2 22 129 59.9 599 130 0.21 2 143 23 230 144 2.1 21 156 20.2 202 157 0.34 3 158 3.9 39 171 3.8 38 184 3.9 39 185 99.99 999 186 11 110 203 7.8 78 258 8.2 82 259 4.9 49 //