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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002135

METHYL VINYL KETONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002135
RECORD_TITLE: METHYL VINYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL VINYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6O
CH$EXACT_MASS: 70.04186
CH$SMILES: C=CC(C)=O
CH$IUPAC: InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
CH$LINK: INCHIKEY FUSUHKVFWTUUBE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3025671

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-ed02292aef1db44add36
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 8.13 81
  27 13.74 137
  28 17.41 174
  29 5.04 50
  39 11.3 113
  40 2.76 28
  41 43.41 434
  42 5.85 59
  43 99.99 999
  44 29.19 292
  45 2.44 24
  50 1.63 16
  51 3.17 32
  52 1.63 16
  53 8.29 83
  54 2.11 21
  55 24.39 244
  56 1.63 16
  57 2.44 24
  65 3.66 37
  67 12.44 124
  68 2.44 24
  69 12.76 128
  70 5.53 55
  71 2.36 24
//

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