ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006316
RECORD_TITLE: LABDA-7,14-DIEN-13(R)-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: LABDA-7,14-DIEN-13(R)-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₄O
CH$EXACT_MASS: 290.26097
CH$SMILES: C=CC(C)(O)CCC([H])(C(C)=2)C(C)(C1)C([H])(CC([H])2)C(C)(C)CC1
CH$IUPAC: InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,9,16-17,21H,1,8,10-14H2,2-6H3/t16-,17-,19-,20+/m0/s1
CH$LINK: INCHIKEY YHUUQRPBUXILLV-QGZVKYPTSA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0k9x-9720000000-4425b2b900838b5bcc5c
PK$NUM_PEAK: 135
PK$PEAK: m/z int. rel.int.
  40 4.5 45
  41 60.5 605
  42 5 50
  43 3.65 37
  44 2.5 25
  45 3.4 34
  46 1 10
  47 2.75 28
  48 14.3 143
  49 9.5 95
  50 5 50
  51 0.35 4
  52 2 20
  53 15.5 155
  54 3.3 33
  55 4.77 48
  56 5.5 55
  57 7.5 75
  58 2 20
  59 0.35 4
  65 7 70
  66 3.1 31
  67 27.2 272
  68 1.14 11
  69 38.5 385
  70 5.5 55
  71 22.1 221
  72 0.25 3
  73 2.1 21
  77 16.5 165
  78 4.2 42
  79 2.4 24
  80 51 510
  81 45 450
  82 11.5 115
  83 5.34 53
  84 7.5 75
  85 30.5 305
  87 9 90
  88 0.1 1
  91 29.5 295
  92 10.5 105
  93 45.5 455
  94 1.25 13
  95 35.5 355
  96 8.4 84
  97 7.5 75
  98 0.2 2
  103 2.8 28
  104 1.5 15
  105 26.5 265
  106 1.15 12
  107 32.2 322
  108 22.5 225
  109 52.5 525
  110 0.8 8
  111 5.5 55
  112 2.5 25
  113 1.5 15
  114 0.12 1
  115 3.4 34
  116 2.5 25
  117 5.4 54
  118 0.25 3
  119 28.5 285
  120 13.1 131
  121 30.5 305
  122 1.82 18
  123 21.5 215
  124 11.5 115
  125 5.5 55
  126 0.18 2
  127 1.5 15
  128 2.5 25
  129 2.5 25
  130 0.15 2
  131 7 70
  132 3.5 35
  133 24.5 245
  134 1.15 12
  135 18.5 185
  136 9.5 95
  137 11.5 115
  138 0.38 4
  139 2.2 22
  141 1 10
  143 2.1 21
  144 0.18 2
  145 8.4 84
  146 3.5 35
  147 11.8 118
  148 1.58 16
  149 8.5 85
  150 3.2 32
  151 4.5 45
  152 0.18 2
  159 6 60
  160 3 30
  161 21.5 215
  162 0.7 7
  163 5.5 55
  164 2.3 23
  165 1.5 15
  166 0.23 2
  167 1.5 15
  173 4 40
  174 3 30
  175 0.5 5
  176 4 40
  177 4.3 43
  178 1.8 18
  179 0.18 2
  187 13 130
  188 3 30
  189 15.5 155
  190 0.4 4
  191 8.4 84
  192 2.5 25
  201 2.5 25
  202 1.15 12
  203 6.2 62
  204 99.99 999
  205 25 250
  206 0.31 3
  218 3.2 32
  219 1.5 15
  220 2.6 26
  221 0.18 2
  245 2.5 25
  246 1.8 18
  257 5.5 55
  258 0.25 3
  272 4.9 49
  273 2.5 25
  290 2 20
//