ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007578
RECORD_TITLE: BETA-FARNESENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BETA-FARNESENE
CH$NAME: (6E)-7,11-DIMETHYL-3-METHYLENE-1,6,10-DODECATRIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: C=CC(=C)CCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+
CH$LINK: CAS 18794-84-8
CH$LINK: INCHIKEY JSNRRGGBADWTMC-NTCAYCPXSA-N
CH$LINK: COMPTOX DTXSID9047049

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00kf-9100000000-0de28d2b36d20fb36076
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 14.37 144
  29 13.31 133
  39 18.63 186
  41 90.43 904
  53 24.48 245
  55 32.99 330
  67 26.6 266
  69 99.99 999
  79 36.71 367
  81 28.73 287
  93 78.19 782
  94 20.22 202
  105 9.58 96
  107 13.84 138
  119 11.18 112
  120 13.31 133
  133 19.16 192
  134 4.26 43
  147 1.07 11
  148 1.07 11
  161 7.99 80
  162 1.07 11
  189 1.07 11
  204 5.33 53
  205 1.07 11
//