ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007424
RECORD_TITLE: CROTONIC ACID ETHYL ESTER; CI-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 623-70-1
CH$LINK: INCHIKEY ZFDIRQKJPRINOQ-HWKANZROSA-N
CH$LINK: COMPTOX DTXSID5057591

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-014i-1900000000-955aa59f97df67314912
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  68 8.67 87
  70 2.15 22
  87 3.45 35
  99 3.34 33
  114 0.73 7
  115 99.99 999
  116 6.27 63
  117 0.72 7
//