ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010673
RECORD_TITLE: (13R)-13-METHOXYLABDA-7,14-DIENE; 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$NAME: (13R)-13-METHOXYLABDA-7,14-DIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₆O
CH$EXACT_MASS: 304.27662
CH$SMILES: C=CC(C)(OC)CCC([H])(C(C)=2)C(C)(C1)C([H])(CC([H])2)C(C)(C)CC1
CH$IUPAC: InChI=1S/C21H36O/c1-8-20(5,22-7)15-12-17-16(2)10-11-18-19(3,4)13-9-14-21(17,18)6/h8,10,17-18H,1,9,11-15H2,2-7H3/t17-,18+,20-,21-/m1/s1
CH$LINK: INCHIKEY ZWCHJTGMHXJGEA-KOUHRCEDSA-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$SPLASH: splash10-0udi-7940000000-fdb467e7a5122a4abffa
PK$NUM_PEAK: 95
PK$PEAK: m/z int. rel.int.
  40 1 10
  41 26.9 269
  42 2.2 22
  43 1.36 14
  45 2.7 27
  53 7 70
  54 1.3 13
  55 3.75 38
  56 2.7 27
  57 3.2 32
  59 1.8 18
  65 0.23 2
  66 1.1 11
  67 13.6 136
  68 3.8 38
  69 2.06 21
  70 1.6 16
  71 1.7 17
  72 1.3 13
  77 0.49 5
  78 1.6 16
  79 12 120
  80 22.5 225
  81 2.44 24
  82 3.7 37
  83 4.9 49
  84 1.1 11
  85 5.13 51
  86 3.7 37
  87 1.8 18
  91 12 120
  92 0.39 4
  93 21.3 213
  94 5.7 57
  95 20.3 203
  96 0.31 3
  97 3.7 37
  98 3 30
  99 3.2 32
  103 0.1 1
  105 12.7 127
  106 5.6 56
  107 15.8 158
  108 1.52 15
  109 28.2 282
  110 2.7 27
  111 2.3 23
  115 0.1 1
  117 2.2 22
  119 16.4 164
  120 8.4 84
  121 1.44 14
  122 11.3 113
  123 6.9 69
  124 3.6 36
  125 0.1 1
  131 2.2 22
  132 1.1 11
  133 13.1 131
  134 0.7 7
  135 13.4 134
  136 5.1 51
  137 4.4 44
  145 0.21 2
  147 6.5 65
  148 11.5 115
  149 5.3 53
  151 0.1 1
  159 1.4 14
  161 16 160
  162 3.9 39
  163 0.42 4
  164 1.1 11
  173 1.3 13
  175 3.4 34
  176 0.2 2
  177 2.7 27
  187 20.3 203
  188 1 10
  189 1.34 13
  190 3.5 35
  191 9.8 98
  192 3.3 33
  201 0.13 1
  203 1.6 16
  204 99.99 999
  205 18.8 188
  206 0.14 1
  220 1 10
  257 6.5 65
  258 1.4 14
  272 0.34 3
  273 1.2 12
  275 1.5 15
  304 1.1 11
//