ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006832
RECORD_TITLE: CIS-3-HEXENYL 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$NAME: CIS-3-HEXENYL CROTONATE
CH$NAME: CIS-3-HEXENYL TRANS-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O₂
CH$EXACT_MASS: 168.11503
CH$SMILES: CCC=CCCOC(=O)C=CC
CH$IUPAC: InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3/b6-5-,8-4+
CH$LINK: INCHIKEY KITGYVIOYOCIIE-QNMAEOQASA-N
CH$LINK: COMPTOX DTXSID90886759

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$SPLASH: splash10-014i-9000000000-c727e746c3c867f93a01
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 8.83 88
  29 4.36 44
  38 1.51 15
  39 30.36 304
  40 1.81 18
  41 48.45 485
  42 3.8 38
  51 1.13 11
  53 4.6 46
  54 6.5 65
  55 7.48 75
  67 57.27 573
  68 4.61 46
  69 99.99 999
  70 4.52 45
  81 4.21 42
  82 62.24 622
  83 4.02 40
  87 3.77 38
//