ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007124
RECORD_TITLE: CARYOPHYLLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CARYOPHYLLENE
CH$NAME: 4,11,11-TRIMETHYL-8-METHYLENEBICYCLO(7.2.0)UNDEC-4-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: [H]C(C2)=C(C)CCC([H])(C(C)(C)1)C([H])(C(=C)C2)C1
CH$IUPAC: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1
CH$LINK: INCHIKEY NPNUFJAVOOONJE-FLFDDASRSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9400000000-17580c580b9bac158421
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  27 21.54 215
  29 18.01 180
  39 34.51 345
  40 7.34 73
  41 99.99 999
  42 4.65 47
  43 10.09 101
  50 1.14 11
  51 6.04 60
  52 5.35 54
  53 31.14 311
  54 3.54 35
  55 35.4 354
  56 7.04 70
  57 5.38 54
  63 1.81 18
  65 14.68 147
  66 4.77 48
  67 34.46 345
  68 7.9 79
  69 76 760
  70 3.86 39
  71 2.23 22
  77 33.32 333
  78 7.58 76
  79 57.17 572
  80 15.34 153
  81 34.03 340
  82 7.88 79
  83 2.66 27
  91 56.57 566
  92 19.01 190
  93 79 790
  94 17.12 171
  95 16.54 165
  96 1.85 19
  103 2.55 26
  104 1.81 18
  105 37.53 375
  106 24.28 243
  107 33.09 331
  108 6.9 69
  109 15.56 156
  110 1.97 20
  111 2.33 23
  115 2.5 25
  116 1.15 12
  117 3.49 35
  118 1.11 11
  119 24.45 245
  120 30.45 305
  121 20.59 206
  122 4.94 49
  123 4 40
  131 1.83 18
  133 58.25 583
  134 16.4 164
  135 10.14 101
  136 4.2 42
  137 1.51 15
  147 19.59 196
  148 20.98 210
  149 4.59 46
  161 19.37 194
  162 4.65 47
  163 1.81 18
  175 5.3 53
  176 3.47 35
  189 12.12 121
  190 1.35 14
  204 7.43 74
  205 1.14 11
//