MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008203

(E)-2-HEXENAL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008203
RECORD_TITLE: (E)-2-HEXENAL; 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$NAME: (E)-2-HEXENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O
CH$EXACT_MASS: 98.07316
CH$SMILES: CCCC([H])=C([H])C=O
CH$IUPAC: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
CH$LINK: INCHIKEY MBDOYVRWFFCFHM-SNAWJCMRSA-N
CH$LINK: COMPTOX DTXSID1041425

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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$SPLASH: splash10-052f-9000000000-c02b1abe303dbed47047
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  39 25.29 253
  41 99.99 999
  42 75 750
  53 8.82 88
  54 17.65 177
  55 58.82 588
  56 9.41 94
  57 67.65 677
  67 2.65 27
  68 5.88 59
  69 61.76 618
  70 17.65 177
  79 7.35 74
  80 11.76 118
  81 1.47 15
  83 83.82 838
  84 4.41 44
  96 17.65 177
  98 46.25 463
  99 2.65 27
//