MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008629

HEPTANAL DIMETHYL ACETAL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008629
RECORD_TITLE: HEPTANAL 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

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CH$NAME: HEPTANAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₀O₂
CH$EXACT_MASS: 160.14633
CH$SMILES: CCCCCCC(OC)OC
CH$IUPAC: InChI=1S/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY BBMCNYFBAIUERL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0064919

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-004i-9000000000-7e9df771ae8c3f98881f
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 1.82 18
  27 3.98 40
  29 5.34 53
  31 3.69 37
  39 2.98 30
  41 12.02 120
  42 1.43 14
  43 5.59 56
  45 10.79 108
  47 7.35 74
  55 14.9 149
  56 1.22 12
  57 1.1 11
  58 5.19 52
  59 1.09 11
  69 1.88 19
  71 17.4 174
  75 99.99 999
  76 3.19 32
  85 1.22 12
  97 6.61 66
  128 1.23 12
  129 11.72 117
//