ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010683
RECORD_TITLE: BETA-CARYOPHYLLENE; 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$NAME: BETA-CARYOPHYLLENE
CH$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$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0006-9400000000-cc1cb468f4f5a1307735
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  41 99.99 999
  42 10 100
  43 30 300
  44 0.8 8
  45 4.5 45
  50 4 40
  51 11.5 115
  52 0.9 9
  53 34 340
  54 7.5 75
  55 48 480
  56 0.95 10
  57 11 110
  63 6 60
  65 16 160
  66 0.8 8
  67 35 350
  68 18.5 185
  69 63 630
  70 0.75 8
  77 32.5 325
  78 13 130
  79 49 490
  80 1.7 17
  81 41 410
  82 16 160
  83 9 90
  91 4.4 44
  92 20.5 205
  93 69.5 695
  94 52 520
  95 2.45 25
  96 8 80
  97 5.5 55
  103 5 50
  104 0.5 5
  105 35.5 355
  106 22 220
  107 34 340
  108 1.4 14
  109 19 190
  110 8 80
  111 6 60
  115 0.5 5
  117 8 80
  118 5 50
  119 24 240
  120 2.9 29
  121 24 240
  122 11 110
  123 12.5 125
  131 0.7 7
  132 5 50
  133 40 400
  134 14 140
  135 1.3 13
  136 9 90
  137 6 60
  138 6 60
  147 1.7 17
  148 16.5 165
  149 9 90
  150 4 40
  161 2.7 27
  162 9 90
  163 6 60
  164 4 40
  175 0.7 7
  176 6 60
  177 5 50
  189 11 110
  190 0.3 3
  204 14 140
  205 5 50
//