ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005399
RECORD_TITLE: CROTONIC ACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CROTONIC ACID ETHYL ESTER
CH$NAME: TRANS-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: INCHIKEY ZFDIRQKJPRINOQ-HWKANZROSA-N
CH$LINK: COMPTOX DTXSID5057591

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-014i-9000000000-3459609df67fdefbdd29
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 4.3 43
  26 2.72 27
  27 10.35 104
  28 13.97 140
  29 17.97 180
  37 1.58 16
  38 3.43 34
  39 23.69 237
  40 4.52 45
  41 34.86 349
  42 4.14 41
  43 2.67 27
  44 2.12 21
  45 5.56 56
  55 1.09 11
  68 4.52 45
  69 99.99 999
  70 4.68 47
  71 1.74 17
  77 1.03 10
  86 5.07 51
  87 1.36 14
  94 3.05 31
  99 18.95 190
  100 1.03 10
  114 1.09 11
//