ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004620
RECORD_TITLE: (2E,6E,10E)-3,7,11-TRIMETHYLCYCLOTETRADECATRIEN-1-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (2E,6E,10E)-3,7,11-TRIMETHYLCYCLOTETRADECATRIEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₈O
CH$EXACT_MASS: 248.21402
CH$SMILES: CC(C1)=C([H])CCC(C)=C([H])CCC(C)=C([H])C(O)CC1
CH$IUPAC: InChI=1S/C17H28O/c1-14-7-4-8-15(2)10-6-12-17(18)13-16(3)11-5-9-14/h8-9,13,17-18H,4-7,10-12H2,1-3H3/b14-9+,15-8+,16-13+
CH$LINK: INCHIKEY JDIPRPADZDTOOH-RDNNDEIWSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-053u-8900000000-8e6cde461afdaefbeb9c
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
  18 10.4 104
  28 1.3 13
  41 2.8 28
  43 0.71 7
  53 1.2 12
  55 14.4 144
  56 2.1 21
  57 0.35 4
  67 17.2 172
  68 16.5 165
  69 18.4 184
  70 0.26 3
  71 3.7 37
  78 1.3 13
  79 31.7 317
  80 1.07 11
  81 99.99 999
  82 13.7 137
  83 24.4 244
  84 1.58 16
  85 2.9 29
  91 6.6 66
  92 5.3 53
  93 4.07 41
  94 75.7 757
  95 32.4 324
  96 17.1 171
  97 0.91 9
  98 8.5 85
  99 2.5 25
  105 17.9 179
  106 1.53 15
  107 34.8 348
  108 23.3 233
  109 40.1 401
  110 0.91 9
  111 9.1 91
  112 2.6 26
  118 1.1 11
  119 2.25 23
  120 18.1 181
  121 31 310
  122 22.6 226
  123 2.53 25
  124 7.4 74
  125 7.3 73
  126 1.2 12
  131 0.39 4
  132 2.3 23
  133 16.1 161
  134 17.1 171
  135 1.89 19
  136 12.3 123
  137 8.8 88
  138 4.3 43
  139 0.2 2
  145 8.1 81
  146 3 30
  147 17.2 172
  148 1.52 15
  149 22.8 228
  150 4.5 45
  151 2 20
  152 0.16 2
  153 1.6 16
  159 8.1 81
  160 3.2 32
  161 0.89 9
  162 6.2 62
  163 8.1 81
  164 2.7 27
  165 0.55 6
  166 2.3 23
  167 1.8 18
  173 9.3 93
  174 0.53 5
  175 7.2 72
  176 1.7 17
  177 7.7 77
  178 0.22 2
  179 3.5 35
  187 5.4 54
  188 2.7 27
  189 0.15 2
  190 3.2 32
  191 2.5 25
  192 1.3 13
  201 0.6 6
  202 2.3 23
  205 6.1 61
  206 1.5 15
  215 1.28 13
  216 1.8 18
  230 21.6 216
  231 5.2 52
  233 0.46 5
  248 2.9 29
  249 0.4 4
//