ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009859
RECORD_TITLE: (E)-BETA-FARNESENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: (E)-BETA-FARNESENE
CH$NAME: 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: INCHIKEY JSNRRGGBADWTMC-NTCAYCPXSA-N
CH$LINK: COMPTOX DTXSID9047049

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-014l-9100000000-f65ac7d94ccd703ca91d
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  27 4.6 46
  28 1.5 15
  29 4.8 48
  39 0.74 7
  40 1.5 15
  41 49.6 496
  42 2.1 21
  43 0.61 6
  51 1.3 13
  53 7.9 79
  55 18 180
  56 0.15 2
  57 4.2 42
  65 3.2 32
  67 16.8 168
  68 0.55 6
  69 99.99 999
  70 6.3 63
  71 3.2 32
  77 0.74 7
  78 1.2 12
  79 18 180
  80 3.3 33
  81 2.2 22
  82 7.7 77
  83 1.4 14
  91 10.2 102
  92 0.64 6
  93 55.3 553
  94 8.4 84
  95 6.3 63
  105 0.56 6
  106 2.2 22
  107 8.5 85
  108 1.5 15
  109 0.79 8
  110 1 10
  111 2.1 21
  119 7.4 74
  120 1.58 16
  121 6.8 68
  122 1.5 15
  123 1.5 15
  133 2.36 24
  134 4.9 49
  135 4.4 44
  136 1.4 14
  137 0.12 1
  147 2.8 28
  148 3.2 32
  161 11.9 119
  162 0.23 2
  189 2 20
  204 8.7 87
  205 1.4 14
//