ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010648
RECORD_TITLE: (1S,2E,7E,10R,11E)-10-METHOXYCEMBRA-2,4,7,11-TETRAENE; 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$NAME: (1S,2E,7E,10R,11E)-10-METHOXYCEMBRA-2,4,7,11-TETRAENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₄O
CH$EXACT_MASS: 302.26097
CH$SMILES: COC([H])(C1)C([H])=C(C)CCC([H])(C(C)C)C([H])=C([H])C(C)=C([H])CC([H])=C(C)1
CH$IUPAC: InChI=1S/C21H34O/c1-16(2)20-12-10-17(3)8-7-9-18(4)14-21(22-6)15-19(5)11-13-20/h8-10,12,15-16,20-21H,7,11,13-14H2,1-6H3/b12-10+,17-8-,18-9+,19-15+/t20-,21+/m0/s1
CH$LINK: INCHIKEY SBUSWOSYOAFPAG-LVRFIZCKSA-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$SPLASH: splash10-06r6-8910000000-200ff46d3c2fe15f0a79
PK$NUM_PEAK: 120
PK$PEAK: m/z int. rel.int.
  41 58.2 582
  42 3.2 32
  43 25.3 253
  45 1.38 14
  51 2.4 24
  53 19.1 191
  54 2.3 23
  55 4.67 47
  56 3.2 32
  57 5.3 53
  59 5.2 52
  65 0.91 9
  66 3.1 31
  67 20.9 209
  68 4.5 45
  69 2.76 28
  71 8.1 81
  73 7 70
  77 25 250
  78 0.59 6
  79 32.8 328
  80 11.5 115
  81 43.7 437
  82 0.48 5
  83 26.5 265
  84 2.6 26
  85 45.9 459
  86 0.55 6
  91 36.5 365
  92 9 90
  93 37.2 372
  94 0.75 8
  95 15.4 154
  96 3.8 38
  97 12.8 128
  98 5.77 58
  99 13.3 133
  103 4 40
  105 36.6 366
  106 1.18 12
  107 34.2 342
  108 9.3 93
  109 13.2 132
  110 0.65 7
  111 99.99 999
  112 11.3 113
  115 4.6 46
  117 0.8 8
  118 3.8 38
  119 30.4 304
  120 20.8 208
  121 1.79 18
  122 8.2 82
  123 24.2 242
  124 7 70
  125 0.34 3
  129 4.6 46
  131 14.2 142
  132 10.3 103
  133 2.88 29
  134 10.4 104
  135 13.9 139
  136 6.7 67
  137 1.42 14
  143 4 40
  145 16.1 161
  146 9.4 94
  147 1.4 14
  148 3.9 39
  149 9.3 93
  150 3.7 37
  151 0.59 6
  157 6.7 67
  159 16.1 161
  160 4.3 43
  161 1.23 12
  162 3.4 34
  163 7.9 79
  164 5.7 57
  165 0.49 5
  166 3.6 36
  171 6.2 62
  173 4.7 47
  175 0.66 7
  177 4.9 49
  178 7.1 71
  179 5.7 57
  180 0.21 2
  185 5.4 54
  186 3.7 37
  187 8.2 82
  188 0.36 4
  189 14.3 143
  190 9.7 97
  191 8.8 88
  193 1.11 11
  199 3.6 36
  201 12.4 124
  202 7.1 71
  203 0.45 5
  215 8 80
  217 2.8 28
  219 6.7 67
  227 2 20
  228 4.8 48
  229 2.2 22
  231 2.5 25
  233 0.71 7
  234 7.1 71
  244 1.2 12
  255 7.5 75
  256 0.19 2
  259 7.5 75
  260 1.8 18
  270 17.2 172
  271 0.59 6
  287 4.1 41
  288 1.1 11
  302 19.6 196
  303 5.1 51
//