ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007337
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014r-9000000000-bccd947800b3f962393b
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 1.15 12
  27 6.45 65
  28 2.64 26
  29 9.53 95
  38 1.23 12
  39 16.91 169
  40 3.21 32
  41 35.01 350
  42 1.97 20
  43 1.69 17
  55 4.75 48
  56 19.41 194
  57 3.35 34
  68 2.02 20
  69 99.99 999
  70 5.07 51
  82 1.14 11
  86 1.2 12
  87 62.81 628
  88 2.99 30
  99 1.8 18
  127 1.48 15
//