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MassBank Record: JP001733

HEPTANEDIOIC ACID DIBUTYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP001733
RECORD_TITLE: HEPTANEDIOIC ACID DIBUTYL ESTER; EI-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$NAME: HEPTANEDIOIC ACID DIBUTYL ESTER
CH$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
CH$LINK: COMPTOX DTXSID70286339

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
//

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