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MassBank Record: JP001739

HEXANEDIOIC ACID DIHEXYL ESTER; EI-B; MS

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

ACCESSION: JP001739
RECORD_TITLE: HEXANEDIOIC ACID DIHEXYL 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$NAME: HEXANEDIOIC ACID DIHEXYL ESTER
CH$NAME: DIHEXYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H34O4
CH$EXACT_MASS: 314.24571
CH$SMILES: CCCCCCOC(=O)CCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C18H34O4/c1-3-5-7-11-15-21-17(19)13-9-10-14-18(20)22-16-12-8-6-4-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY HHECSPXBQJHZAF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9026841

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$SPLASH: splash10-01t9-9820000000-a4e40748f43f6c49311b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  28 1.96 20
  40 6.38 64
  42 9.63 96
  43 47.11 471
  69 16.37 164
  70 6.41 64
  71 4.38 44
  82 7.66 77
  83 14.7 147
  84 18.21 182
  85 14.26 143
  87 28.74 287
  97 8.14 81
  98 2.9 29
  100 11.46 115
  101 11.99 120
  111 25.93 259
  112 5.51 55
  128 3.13 31
  129 99.99 999
  130 6.22 62
  171 2.23 22
  184 11.57 116
  213 53.11 531
  214 6.28 63
  231 1.67 17
//

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