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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008633

DODECANAL DIMETHYL ACETAL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008633
RECORD_TITLE: DODECANAL DIMETHYL 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$NAME: DODECANAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H30O2
CH$EXACT_MASS: 230.22458
CH$SMILES: CCCCCCCCCCCC(OC)OC
CH$IUPAC: InChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h14H,4-13H2,1-3H3
CH$LINK: COMPTOX DTXSID8065797
CH$LINK: INCHIKEY AJUWUYJULVYGRA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:84559

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$SPLASH: splash10-004i-9000000000-2befc0e83f7324116d00
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 2.72 27
  29 5.59 56
  31 2.7 27
  39 1.58 16
  41 9.55 96
  42 1.85 19
  43 6.02 60
  45 3.94 39
  47 4.42 44
  55 8.71 87
  56 1.25 13
  57 2.22 22
  58 1 10
  59 1.47 15
  67 1.15 12
  69 3.12 31
  71 2.8 28
  72 3.72 37
  75 99.99 999
  76 3.32 33
  81 1.07 11
  83 1.35 14
  85 26.19 262
  86 1.18 12
  97 1.43 14
  198 1.54 15
  199 2.45 25
//

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