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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008457

DECANAL DIETHYL ACETAL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008457
RECORD_TITLE: DECANAL 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$NAME: DECANAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H30O2
CH$EXACT_MASS: 230.22458
CH$SMILES: CCCCCCCCCC(OCC)OCC
CH$IUPAC: InChI=1S/C14H30O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h14H,4-13H2,1-3H3
CH$LINK: INCHIKEY GDDPLWAEEWIQKZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30188320

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$SPLASH: splash10-0zi9-9300000000-8bc6e59f3b2a8fc07da9
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  26 1.09 11
  27 13.73 137
  29 28.84 288
  31 12.79 128
  39 4.08 41
  41 22.09 221
  42 4.05 41
  43 17.02 170
  44 4.69 47
  45 8.01 80
  46 1.55 16
  47 32.24 322
  53 1.54 15
  54 2.32 23
  55 15.85 159
  56 2.61 26
  57 54.9 549
  58 2.26 23
  59 2.7 27
  67 4.1 41
  68 4.51 45
  69 11.14 111
  70 2.18 22
  71 3.51 35
  72 4.5 45
  75 26.8 268
  81 3.94 39
  82 7.01 70
  83 14.86 149
  85 46.79 468
  86 2.3 23
  95 3.27 33
  96 2.65 27
  97 5.36 54
  99 2.97 30
  103 99.99 999
  104 3.82 38
  109 1.42 14
  110 1.41 14
  127 1.26 13
  138 1.05 11
  141 1.72 17
  184 2.36 24
  185 16.07 161
  186 1.69 17
//

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