ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007425
RECORD_TITLE: CROTONIC ACID BUTYL 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$NAME: CROTONIC ACID BUTYL ESTER
CH$NAME: 2-BUTENOIC 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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0006-1900000000-fbbe99b6e9fadc4b17c8
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  68 1.82 18
  87 11.25 113
  88 0.59 6
  127 2.31 23
  128 0.54 5
  143 99.99 999
  144 9.22 92
  145 0.77 8
//