ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006828
RECORD_TITLE: ALLYL CROTONATE; 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$NAME: ALLYL CROTONATE
CH$NAME: ALLYL TRANS-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₀O₂
CH$EXACT_MASS: 126.06808
CH$SMILES: C=CCOC(=O)C=CC
CH$IUPAC: InChI=1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-5H,2,6H2,1H3/b5-3+
CH$LINK: INCHIKEY WNJBUWVXSNLWEQ-HWKANZROSA-N
CH$LINK: COMPTOX DTXSID80864945

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-014i-9000000000-09d8fdd3eb784b82b784
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 1.21 12
  26 1.7 17
  27 5.21 52
  29 2.93 29
  32 2.36 24
  37 1.25 13
  38 3.12 31
  39 34.3 343
  41 42.25 423
  42 2.19 22
  55 1.02 10
  57 1.87 19
  68 1.21 12
  69 99.99 999
  70 5.2 52
  81 4.79 48
  111 3 30
//