ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008379
RECORD_TITLE: CITRONELLOL; 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$NAME: CITRONELLOL
CH$NAME: 3,7-DIMETHYL-6-OCTEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O
CH$EXACT_MASS: 156.15142
CH$SMILES: OCCC(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
CH$LINK: INCHIKEY QMVPMAAFGQKVCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026726

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$SPLASH: splash10-015c-9000000000-9db6e91c321664a95314
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  15 1.13 11
  27 18.18 182
  28 2.64 26
  29 15.36 154
  31 28.35 284
  39 24.3 243
  40 4.33 43
  41 99.99 999
  42 10.51 105
  43 19.97 200
  44 2.26 23
  45 3.51 35
  51 2.47 25
  52 1.5 15
  53 14.96 150
  54 3.92 39
  55 50.96 510
  56 27.57 276
  57 10.98 110
  65 2.17 22
  66 1.45 15
  67 41.5 415
  68 25.08 251
  69 90.71 907
  70 15.19 152
  71 24.93 249
  72 1.39 14
  77 1.99 20
  79 2.53 25
  80 2.37 24
  81 39.24 392
  82 47.15 472
  83 12.45 125
  84 1.94 19
  85 1.83 18
  86 1.99 20
  91 1 10
  94 1.33 13
  95 33.76 338
  96 8.39 84
  109 13.48 135
  110 4.46 45
  111 1.09 11
  123 19.11 191
  124 1.82 18
  138 6.65 67
  156 7.72 77
//