ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005921
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-f07cd3c6034bb4e28edf
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  29 1.31 13
  39 3.06 31
  40 1.97 20
  41 8.75 88
  42 0.98 10
  43 99.99 999
  44 2.41 24
  57 8.21 82
  58 14.77 148
  61 3.06 31
  72 1.31 13
  85 0.55 6
  100 0.66 7
//