MassBank Record: JP001733



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

ACCESSION: JP001733
RECORD_TITLE: HEPTANEDIOIC ACID DIBUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: HEPTANEDIOIC ACID DIBUTYL ESTER CH$NAME: DIBUTYL PIMELATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H28O4 CH$EXACT_MASS: 272.19876 CH$SMILES: CCCCOC(=O)CCCCCC(=O)OCCCC CH$IUPAC: InChI=1S/C15H28O4/c1-3-5-12-18-14(16)10-8-7-9-11-15(17)19-13-6-4-2/h3-13H2,1-2H3 CH$LINK: INCHIKEY IQYKLRJIMOPPKB-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-002r-2900000000-287761ec714e7fa0d8f4 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 29 8.85 89 41 11.02 110 42 5.91 59 43 18.86 189 60 5.44 54 61 1.88 19 69 2.47 25 71 1.64 16 73 6.43 64 83 9.55 96 84 3.71 37 85 1.85 19 86 1.34 13 87 35.53 355 100 21.34 213 101 19.87 199 102 3.44 34 110 1.21 12 111 38.61 386 112 6.69 67 128 2.71 27 129 99.99 999 130 7.08 71 141 0.31 3 142 0.52 5 143 26.22 262 144 1.93 19 156 20.51 205 157 2.18 22 158 1.78 18 184 1.72 17 185 79.53 795 186 8.45 85 203 0.88 9 //