ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002852
RECORD_TITLE: BETA-CARYOPHYLLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: BETA-CARYOPHYLLENE
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05mo-9600000000-f80b8edf5de465dffc71
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  18 0.6 6
  26 0.6 6
  27 18 180
  29 1.75 18
  38 1 10
  39 29.7 297
  40 7.7 77
  41 8.85 89
  42 4.5 45
  43 14 140
  44 0.5 5
  50 0.16 2
  51 6.5 65
  52 5.5 55
  53 28.1 281
  54 0.45 5
  55 38.5 385
  56 5.5 55
  57 5.6 56
  58 0.05 1
  63 2.2 22
  64 1 10
  65 14.1 141
  66 0.57 6
  67 33 330
  68 10.5 105
  69 84.8 848
  70 0.55 6
  71 4 40
  75 1.2 12
  76 0.8 8
  77 3.25 33
  78 11 110
  79 59.7 597
  80 20.2 202
  81 0.4 4
  82 14 140
  83 5.1 51
  84 0.5 5
  85 0.02 0
  89 1.5 15
  90 1 10
  91 62 620
  92 2.53 25
  93 99.99 999
  94 24.5 245
  95 24.3 243
  96 0.03 0
  97 1.5 15
  98 0.1 1
  102 0.8 8
  103 0.04 0
  104 2.1 21
  105 47.3 473
  106 29 290
  107 4.35 44
  108 12.1 121
  109 21.3 213
  110 3.2 32
  111 0.35 4
  112 0.6 6
  115 3.5 35
  116 1.5 15
  117 0.48 5
  118 1.7 17
  119 34.8 348
  120 41.5 415
  121 0.33 3
  122 10.1 101
  123 7 70
  124 1 10
  128 0.16 2
  129 1.2 12
  130 1.5 15
  131 3.3 33
  132 0.01 0
  133 63.5 635
  134 24.1 241
  135 18.3 183
  136 0.87 9
  137 2.8 28
  138 0.2 2
  145 1.2 12
  146 0.08 1
  147 30.2 302
  148 29 290
  149 10 100
  150 0.11 1
  159 0.5 5
  160 1 10
  161 34.5 345
  162 0.1 1
  163 3.5 35
  164 0.4 4
  170 0.1 1
  173 0.05 1
  175 10.7 107
  176 4.7 47
  177 1 10
  189 1.96 20
  190 3.2 32
  191 0.4 4
  204 21 210
  205 0.35 4
  206 0.5 5
//