ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007335
RECORD_TITLE: CROTONIC ACID METHYL 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$NAME: CROTONIC ACID METHYL ESTER
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-014i-9000000000-f0481ced949eddf5b69a
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 11.65 117
  26 1.42 14
  27 2.41 24
  28 1.79 18
  29 2.43 24
  37 2.06 21
  38 4.47 45
  39 29.47 295
  40 4.61 46
  41 48.91 489
  42 2.39 24
  59 4.77 48
  68 3.16 32
  69 99.99 999
  70 4.5 45
  85 18.58 186
  100 18.98 190
  101 1.13 11
//