ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010635
RECORD_TITLE: (1R,2E,4Z,7E,11E)-CEMBRA-2,4,7,11,15-PENTAENE; 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$NAME: (1R,2E,4Z,7E,11E)-CEMBRA-2,4,7,11,15-PENTAENE
CH$NAME: CEMBRENENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₀
CH$EXACT_MASS: 270.23475
CH$SMILES: [H]C(C1)=C(C)CCC([H])(C(C)=C)C([H])=C([H])C(C)=C([H])CC([H])=C(C)C1
CH$IUPAC: InChI=1S/C20H30/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,20H,1,6-7,9,13,15H2,2-5H3/b14-12+,17-8+,18-10-,19-11+/t20-/m1/s1
CH$LINK: INCHIKEY RLAFZRBJBUMWGN-JJDAXJIHSA-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$SPLASH: splash10-0536-7900000000-7edad3cecc6336de55c5
PK$NUM_PEAK: 109
PK$PEAK: m/z int. rel.int.
  40 8 80
  41 99.99 999
  42 7 70
  43 2.45 25
  51 9.5 95
  52 6.5 65
  53 39.5 395
  54 0.75 8
  55 72 720
  56 6 60
  57 9 90
  60 0.65 7
  63 5.5 55
  65 19.5 195
  66 8 80
  67 4.35 44
  68 16.5 165
  69 27.5 275
  70 5.5 55
  71 0.65 7
  73 6.5 65
  77 47 470
  78 15 150
  79 5.7 57
  80 24 240
  81 60.5 605
  82 10.5 105
  83 1 10
  91 70 700
  92 21.5 215
  93 81.5 815
  94 2.1 21
  95 30 300
  96 5.5 55
  97 5 50
  103 0.95 10
  104 7.5 75
  105 73.5 735
  106 25.5 255
  107 5.95 60
  108 19.5 195
  109 21 210
  110 5.5 55
  111 0.5 5
  115 11.5 115
  116 8.5 85
  117 19.5 195
  118 0.95 10
  119 74.5 745
  120 41 410
  121 42.5 425
  122 1.1 11
  123 9.5 95
  128 7 70
  129 11.5 115
  130 0.8 8
  131 31 310
  132 18.5 185
  133 85.5 855
  134 4.3 43
  135 17 170
  136 4.5 45
  141 4.5 45
  142 0.45 5
  143 11.5 115
  144 7.5 75
  145 34.5 345
  146 2.3 23
  147 29 290
  148 12.5 125
  149 8 80
  157 1.25 13
  158 9.5 95
  159 59.5 595
  160 17 170
  161 1.4 14
  162 6.5 65
  163 4.5 45
  171 11.5 115
  172 0.55 6
  173 16.5 165
  174 8.5 85
  175 7 70
  176 0.45 5
  185 16.5 165
  186 7 70
  187 23 230
  188 0.8 8
  189 6 60
  190 2 20
  199 11.5 115
  200 0.45 5
  201 7.5 75
  202 7 70
  203 2 20
  213 0.6 6
  214 4.5 45
  215 5.5 55
  216 2 20
  227 0.95 10
  228 4.5 45
  229 2 20
  241 4.5 45
  242 0.2 2
  255 15 150
  256 5.5 55
  270 31.5 315
  271 0.95 10
  272 1.5 15
//