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MassBank Record: JP008657

HEXANAL DIHEXYL ACETAL; EI-B; MS

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

ACCESSION: JP008657
RECORD_TITLE: HEXANAL DIHEXYL ACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: HEXANAL DIHEXYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H38O2
CH$EXACT_MASS: 286.28718
CH$SMILES: CCCCCCOC(CCCCC)OCCCCCC
CH$IUPAC: InChI=1S/C18H38O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h18H,4-17H2,1-3H3
CH$LINK: INCHIKEY JAMIQGJXDPTFJL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30187353

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000f-9100000000-73516d92d4f0236c340f
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 10.22 102
  29 15.95 160
  31 3.71 37
  39 4.33 43
  41 26.88 269
  42 11.27 113
  43 99.99 999
  44 3.49 35
  45 1.17 12
  53 1.03 10
  55 21.13 211
  56 15.56 156
  57 24.25 243
  58 1.47 15
  67 1.45 15
  69 3.89 39
  71 2.89 29
  82 5.3 53
  83 21.27 213
  84 2.51 25
  85 85.09 851
  86 5.67 57
  101 21.85 219
  102 1.26 13
  113 1.18 12
  131 7.75 78
  184 1.22 12
  185 20.84 208
  186 2.27 23
  215 9.83 98
  216 1.09 11
//

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