ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002525
RECORD_TITLE: ALLYL ACETATE; 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$NAME: ALLYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₂
CH$EXACT_MASS: 100.05243
CH$SMILES: C=CCOC(C)=O
CH$IUPAC: InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
CH$LINK: INCHIKEY FWZUNOYOVVKUNF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9024437

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$SPLASH: splash10-0006-9000000000-55298c78ada2161534b0
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  14 1.33 13
  15 6.62 66
  26 1.56 16
  27 3.75 38
  28 1.45 15
  29 2.77 28
  31 1.13 11
  38 1.6 16
  39 10.55 106
  40 2.57 26
  41 12.05 121
  42 2.7 27
  43 99.99 999
  44 2.48 25
  57 7.65 77
  58 11.02 110
  61 2.63 26
  72 1.11 11
  100 0.39 4
//