ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008067
RECORD_TITLE: CROTONIC ACID BUTYL 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$NAME: CROTONIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCCOC(=O)C([H])=C([H])C
CH$IUPAC: InChI=1S/C8H14O2/c1-3-5-7-10-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+
CH$LINK: INCHIKEY GWCTUKHUBWMAMI-GQCTYLIASA-N
CH$LINK: COMPTOX DTXSID30920525

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$SPLASH: splash10-014r-9000000000-d02a557b27852225f773
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  29 4.43 44
  39 2.4 24
  41 21.68 217
  42 1.68 17
  43 1.68 17
  45 1.2 12
  55 4.79 48
  56 25.87 259
  57 3.59 36
  68 1.56 16
  69 99.99 999
  70 5.39 54
  73 1.2 12
  82 1.68 17
  85 1.32 13
  86 83.59 836
  87 4.55 46
  99 2.63 26
  113 1.08 11
  127 2.4 24
  142 0.48 5
//