ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008066
RECORD_TITLE: CROTONIC ACID ETHYL 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$NAME: CROTONIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: CC=CC(=O)OCC
CH$IUPAC: InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
CH$LINK: INCHIKEY ZFDIRQKJPRINOQ-HWKANZROSA-N
CH$LINK: COMPTOX DTXSID5057591

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$SPLASH: splash10-014i-9000000000-1b05f8dd54f451cd08ae
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  27 1.26 13
  29 8.6 86
  39 4.64 46
  40 1.55 16
  41 22.13 221
  42 3.09 31
  45 4.25 43
  68 4.93 49
  69 99.99 999
  70 5.7 57
  71 1.64 16
  86 6.86 69
  87 2.22 22
  96 1.16 12
  99 35.07 351
  100 2.03 20
  114 4.15 42
//