ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006973
RECORD_TITLE: CIS-3-HEXENYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CIS-3-HEXENYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.13068
CH$SMILES: CCC=CCCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-
CH$LINK: INCHIKEY OSMAJVWUIUORGC-WAYWQWQTSA-N
CH$LINK: COMPTOX DTXSID0047585

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$SPLASH: splash10-00l6-9000000000-3c37790c710a424b9299
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 1.25 13
  26 1.22 12
  27 23.56 236
  28 2.5 25
  29 8.57 86
  39 19.9 199
  40 2.53 25
  41 43.72 437
  42 6.47 65
  43 99.99 999
  44 3.29 33
  51 1.38 14
  53 5.24 52
  54 7.31 73
  55 18.67 187
  56 1.46 15
  66 1.15 12
  67 83.1 831
  68 4.55 46
  69 2.05 21
  70 1.19 12
  71 53.61 536
  72 2.1 21
  79 1.24 12
  81 4.93 49
  82 86.45 865
  83 6.35 64
  89 1.41 14
//