ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007423
RECORD_TITLE: CROTONIC ACID METHYL 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$NAME: CROTONIC ACID METHYL ESTER
CH$NAME: 2-BUTENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₂
CH$EXACT_MASS: 100.05243
CH$SMILES: CC=CC(=O)OC
CH$IUPAC: InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+
CH$LINK: CAS 18707-60-3
CH$LINK: INCHIKEY MCVVUJPXSBQTRZ-ONEGZZNKSA-N
CH$LINK: COMPTOX DTXSID10878813

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$SPLASH: splash10-0udi-0900000000-fddf7888c621ed54b9c7
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  69 5.75 58
  81 1.08 11
  85 1.3 13
  100 0.87 9
  101 99.99 999
  102 5.96 60
  103 0.66 7
//