ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008065
RECORD_TITLE: CROTONIC ACID METHYL ESTER; 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$NAME: CROTONIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O2
CH$EXACT_MASS: 100.05243
CH$SMILES: CC=CC(=O)OC
CH$IUPAC: InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+
CH$LINK: INCHIKEY MCVVUJPXSBQTRZ-ONEGZZNKSA-N
CH$LINK: COMPTOX DTXSID10878813
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$SPLASH: splash10-014i-9100000000-ee0056dcffd09f478795
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  29 1.62 16
  39 10.48 105
  40 2.16 22
  41 39.52 395
  42 2.27 23
  59 3.89 39
  68 3.02 30
  69 99.99 999
  70 4.54 45
  85 22.89 229
  86 0.97 10
  100 23.87 239
  101 1.51 15
//
