MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008201

3-METHYL-2-BUTENAL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008201
RECORD_TITLE: 3-METHYL-2-BUTENAL; 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$NAME: 3-METHYL-2-BUTENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O
CH$EXACT_MASS: 84.05751
CH$SMILES: O=CC=C(C)C
CH$IUPAC: InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
CH$LINK: INCHIKEY SEPQTYODOKLVSB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8029606

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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$SPLASH: splash10-0a5c-9000000000-1ec92de58f3b78822176
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39 41.39 414
  40 6.62 66
  41 71.52 715
  42 2.98 30
  43 27.15 272
  44 1.32 13
  52 0.99 10
  53 9.93 99
  54 0.99 10
  55 99.99 999
  56 1.52 15
  57 2.98 30
  66 2.98 30
  68 0.99 10
  69 9.6 96
  82 32.12 321
  84 57.21 572
//