ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002551
RECORD_TITLE: VINYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: VINYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: CCCC(=O)OC=C
CH$IUPAC: InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3
CH$LINK: INCHIKEY MEGHWIAOTJPCHQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0074556

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-a3de6eaf8ffafcf555a1
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  14 1.56 16
  15 6.04 60
  26 2.94 29
  27 27 270
  28 2.57 26
  29 3.45 35
  39 7.98 80
  40 1.28 13
  41 27.59 276
  42 6.21 62
  43 99.99 999
  44 6.78 68
  45 1.09 11
  55 3.72 37
  57 6.92 69
  60 1.01 10
  71 62.71 627
  72 2.69 27
  99 1.01 10
  114 4.12 41
//