ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007336
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$NAME: CROTONIC ACID ETHYL ESTER
CH$NAME: 2-BUTENOIC 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: CAS 10544-63-5
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-9000000000-67dbd4fded74f079f238
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 2.36 24
  26 1.6 16
  27 6.95 70
  28 2.12 21
  29 11.9 119
  38 2.13 21
  39 18.18 182
  40 3.53 35
  41 30.55 306
  42 2.77 28
  43 1.6 16
  45 4.02 40
  68 4.46 45
  69 99.99 999
  70 5.31 53
  71 1.3 13
  86 5.92 59
  87 1.85 19
  99 26.34 263
  100 1.41 14
  114 3.07 31
//