ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001819
RECORD_TITLE: CROTONIC ACID BUTYL 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$NAME: CROTONIC ACID BUTYL ESTER
CH$NAME: BUTYL CROTONATE
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-014r-9000000000-11af0d1d0f715709ecf7
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 4.62 46
  28 1.48 15
  29 6.89 69
  39 14.4 144
  40 2.62 26
  41 34.64 346
  42 2.62 26
  43 2.18 22
  45 1 10
  55 5.24 52
  56 17.45 175
  57 3.05 31
  68 1.75 18
  69 99.99 999
  70 4.62 46
  87 43.28 433
  88 1.83 18
  99 1.05 11
  127 1.4 14
  142 0.87 9
//