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MassBank Record: JP008641

HEXANAL DIETHYL ACETAL; EI-B; MS

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

ACCESSION: JP008641
RECORD_TITLE: HEXANAL DIETHYL 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$NAME: HEXANAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O2
CH$EXACT_MASS: 174.16198
CH$SMILES: CCCCCC(OCC)OCC
CH$IUPAC: InChI=1S/C10H22O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-9H2,1-3H3
CH$LINK: INCHIKEY WNHOMUCDFNTSEV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0052045

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$SPLASH: splash10-0fb9-9300000000-861aea6444feccb324ea
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.72 17
  18 2.32 23
  19 1.93 19
  26 1.44 14
  27 23.03 230
  28 3.07 31
  29 45.54 455
  30 1.32 13
  31 6.28 63
  39 4.8 48
  41 20.37 204
  42 4.83 48
  43 13.3 133
  44 13.19 132
  45 6.1 61
  47 65.98 660
  53 1.4 14
  55 35.11 351
  56 2.68 27
  57 9.03 90
  58 1.76 18
  59 4.65 47
  70 1.23 12
  71 1.15 12
  72 6.19 62
  75 40.87 409
  76 1.21 12
  83 34.27 343
  84 1.77 18
  85 3.34 33
  101 1.42 14
  103 99.99 999
  104 4.41 44
  129 38.83 388
  130 3.03 30
//

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