MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008208

2,4-HEPTADIENAL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008208
RECORD_TITLE: 2,4-HEPTADIENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: 2,4-HEPTADIENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₀O
CH$EXACT_MASS: 110.07316
CH$SMILES: CCC=CC=CC=O
CH$IUPAC: InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+
CH$LINK: INCHIKEY SATICYYAWWYRAM-VNKDHWASSA-N
CH$LINK: COMPTOX DTXSID60872846

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-001i-9000000000-e09a08215877716d57dd
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  39 12.05 121
  40 3.01 30
  41 28.01 280
  42 1.51 15
  53 21.08 211
  54 3.01 30
  55 4.52 45
  65 4.52 45
  66 4.52 45
  67 20.48 205
  68 9.04 90
  77 3.01 30
  79 9.94 99
  81 99.99 999
  82 9.94 99
  91 14.2 142
  94 2.71 27
  95 6.02 60
  107 3.01 30
  109 1.51 15
  110 15.36 154
//