ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009947
RECORD_TITLE: 3,7,11,15-TETRAMETHYL-1,6,10,14-HEXADECATETRAEN-3-OL; 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$NAME: 3,7,11,15-TETRAMETHYL-1,6,10,14-HEXADECATETRAEN-3-OL
CH$NAME: LINALYL LINALOOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H34O
CH$EXACT_MASS: 290.26097
CH$SMILES: CC(C)=CCCC(C)=CCCC(C)=CCCC(C)(O)C=C
CH$IUPAC: InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+
CH$LINK: INCHIKEY IQDXAJNQKSIPGB-HQSZAHFGSA-N
CH$LINK: COMPTOX DTXSID70883645
AC$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: splash10-00kf-9500000000-36e24d484f9bbea30bd0
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  27 5.5 55
  29 9.8 98
  32 0.8 8
  39 0.39 4
  41 64.1 641
  42 9.4 94
  43 55.9 559
  44 0.23 2
  45 7.8 78
  53 9.4 94
  55 30.5 305
  57 0.75 8
  65 14.8 148
  67 19.5 195
  68 7.8 78
  69 99.99 999
  70 7.8 78
  71 23.4 234
  73 4.7 47
  77 0.55 6
  79 15.3 153
  80 7 70
  81 52.8 528
  82 0.86 9
  83 12.2 122
  85 10.2 102
  91 12.5 125
  92 0.28 3
  93 35.5 355
  94 7.8 78
  95 44.8 448
  96 0.47 5
  97 8.4 84
  98 8.6 86
  99 9.8 98
  105 1.27 13
  106 9.4 94
  107 41.7 417
  108 9.4 94
  109 3.64 36
  110 8.6 86
  111 11.7 117
  113 6.1 61
  119 1.56 16
  120 2.3 23
  121 25.8 258
  122 10.8 108
  123 4.69 47
  124 10.9 109
  125 16.1 161
  133 18.3 183
  134 0.31 3
  135 17.3 173
  136 9.2 92
  137 14.1 141
  142 0.55 6
  143 14.1 141
  145 12.7 127
  147 12.2 122
  148 0.78 8
  149 10.2 102
  151 13.8 138
  159 2 20
  161 0.83 8
  163 12.7 127
  175 11.7 117
  177 12.5 125
  187 0.16 2
  189 13.3 133
  190 10.9 109
  191 5.9 59
  203 3.83 38
  204 8.6 86
  229 10.9 109
  272 10.2 102
//
