ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004618
RECORD_TITLE: (4E,8E,13E)-1-(2-HYDROXYETHYL)-1,5,9-TRIMETHYLCYCLOTETRADECATRIENE; 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$NAME: (4E,8E,13E)-1-(2-HYDROXYETHYL)-1,5,9-TRIMETHYLCYCLOTETRADECATRIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₂O
CH$EXACT_MASS: 276.24532
CH$SMILES: OCCC(C)(C1)C([H])=C([H])CCCC(C)=C([H])CCC(C)=C([H])C1
CH$IUPAC: InChI=1S/C19H32O/c1-17-9-5-4-6-13-19(3,15-16-20)14-8-12-18(2)11-7-10-17/h6,10,12-13,20H,4-5,7-9,11,14-16H2,1-3H3/b13-6+,17-10+,18-12+
CH$LINK: INCHIKEY QJPDJZAAVMEHCI-DDNAAWFUSA-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$SPLASH: splash10-05nf-9800000000-8fe585f794d67dee2562
PK$NUM_PEAK: 115
PK$PEAK: m/z int. rel.int.
  15 4.3 43
  17 1.1 11
  18 63.9 639
  28 2.4 24
  29 1.2 12
  32 5 50
  39 1.1 11
  41 0.67 7
  43 28.5 285
  44 2.7 27
  53 1.4 14
  55 3.54 35
  57 12.7 127
  59 1.8 18
  60 1.5 15
  67 2.37 24
  68 8.5 85
  69 17.8 178
  70 7.9 79
  71 0.21 2
  73 2 20
  75 1.6 16
  78 2 20
  79 1.85 19
  80 7.3 73
  81 99.99 999
  82 11.4 114
  83 0.95 10
  84 5.3 53
  85 2.1 21
  91 8.1 81
  92 0.24 2
  93 52.2 522
  94 21.7 217
  95 20.4 204
  96 1.31 13
  97 15.6 156
  98 3.2 32
  99 8.8 88
  100 0.16 2
  105 11.7 117
  106 11.8 118
  107 47.1 471
  108 1.86 19
  109 50.2 502
  110 8.2 82
  111 7.8 78
  112 0.28 3
  113 1.6 16
  117 3.8 38
  119 15.5 155
  120 1.57 16
  121 18.8 188
  122 14 140
  123 31.4 314
  124 1.17 12
  125 6 60
  126 4 40
  131 3.5 35
  133 0.85 9
  134 9.1 91
  135 14.8 148
  136 5.7 57
  137 0.5 5
  138 3.4 34
  139 2.2 22
  145 9.4 94
  146 0.41 4
  147 11 110
  148 5.9 59
  149 24.9 249
  150 0.73 7
  151 3.5 35
  152 1.8 18
  153 2.6 26
  157 0.14 1
  159 2.5 25
  160 1.4 14
  161 13.5 135
  162 0.71 7
  163 4.8 48
  164 1.9 19
  165 7.3 73
  166 0.37 4
  167 1.8 18
  173 4.8 48
  174 2 20
  175 0.58 6
  176 2.5 25
  177 5.9 59
  178 2.6 26
  179 0.37 4
  186 1.3 13
  187 3.8 38
  188 1.7 17
  189 0.26 3
  190 3.4 34
  191 3.1 31
  200 4.4 44
  201 0.17 2
  203 3 30
  205 2.8 28
  215 2.6 26
  219 0.19 2
  220 1.2 12
  228 1.3 13
  230 3.8 38
  231 1.32 13
  232 5.6 56
  233 2.9 29
  242 1.1 11
  246 0.34 3
  248 7.9 79
  261 2.1 21
  276 1.9 19
//