ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001520
RECORD_TITLE: PROPYL 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$NAME: PROPYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O₂
CH$EXACT_MASS: 102.06808
CH$SMILES: CCCOC(C)=O
CH$IUPAC: InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
CH$LINK: INCHIKEY YKYONYBAUNKHLG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021901

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$SPLASH: splash10-0006-9000000000-967576e66df0ac7c49a6
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  14 0.15 2
  15 0.89 9
  26 0.14 1
  27 0.89 9
  28 0.17 2
  29 0.22 2
  31 0.42 4
  39 0.35 4
  41 0.76 8
  42 0.72 7
  43 99.99 999
  44 0.2 2
  57 0.1 1
  59 0.44 4
  61 2.47 25
  72 0.12 1
  73 1.06 11
  102 0.05 1
//