MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008683

2-ETHYLHEXANAL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008683
RECORD_TITLE: 2-ETHYLHEXANAL; 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$NAME: 2-ETHYLHEXANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O
CH$EXACT_MASS: 128.12012
CH$SMILES: CCCCC(CC)C=O
CH$IUPAC: InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3
CH$LINK: INCHIKEY LGYNIFWIKSEESD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9025291

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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$SPLASH: splash10-0adl-9000000000-d67f0da9f8a00bcaccea
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 1.38 14
  26 1.31 13
  27 25.88 259
  29 30.05 301
  31 1.05 11
  39 17.65 177
  40 1.2 12
  41 48.81 488
  42 7.01 70
  43 41.34 413
  44 2.54 25
  51 1.08 11
  53 3.02 30
  54 2.9 29
  55 14.38 144
  56 3.38 34
  57 91.39 914
  58 4.19 42
  67 1.51 15
  69 1.67 17
  70 1.04 10
  71 4.15 42
  72 99.99 999
  73 3.88 39
  82 2.04 20
  85 2.17 22
//