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MassBank Record: JP009085

HEXANAL CIS-3-HEXENYL HEXYL ACETAL; EI-B; MS

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

ACCESSION: JP009085
RECORD_TITLE: HEXANAL CIS-3-HEXENYL HEXYL 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$NAME: HEXANAL CIS-3-HEXENYL HEXYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36O2
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCOC(CCCCC)OCCC=CCC
CH$IUPAC: InChI=1S/C18H36O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h7,10,18H,4-6,8-9,11-17H2,1-3H3/b10-7-
CH$LINK: INCHIKEY ZSNIHKPCTYBURZ-YFHOEESVSA-N

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$SPLASH: splash10-053u-9100000000-75e691bbe9b9ca1513f5
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 8.94 89
  29 13.23 132
  31 3.23 32
  39 8.23 82
  41 38.58 386
  42 8.69 87
  43 62.78 628
  44 2.25 23
  53 3.02 30
  54 2.45 25
  55 58.97 590
  56 11.2 112
  57 16.8 168
  58 1.18 12
  67 12.29 123
  68 1.05 11
  69 3.32 33
  70 1.44 14
  71 2.91 29
  81 1.46 15
  82 14.14 141
  83 99.99 999
  84 7.77 78
  85 28.35 284
  86 1.7 17
  100 1.12 11
  101 27.26 273
  102 1.53 15
  113 2.28 23
  117 1.78 18
  125 1.52 15
  131 2.84 28
  183 2.19 22
  184 1.26 13
  185 25.44 254
  186 3.38 34
//

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