ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002821
RECORD_TITLE: ALPHA-BERGAM0TENE; 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$NAME: ALPHA-BERGAM0TENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)=CCCC(C)(C21)C(C(C)=CC2)C1
CH$IUPAC: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3
CH$LINK: INCHIKEY YMBFCQPIMVLNIU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90864411

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$SPLASH: splash10-00kf-9400000000-cd44c66388e104386c96
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  26 0.8 8
  27 7.5 75
  29 8.5 85
  31 0.1 1
  39 10.5 105
  41 50.5 505
  42 2.7 27
  43 1.25 13
  44 0.6 6
  45 1.6 16
  51 2.6 26
  52 0.12 1
  53 9.3 93
  54 1 10
  55 28.5 285
  56 1.15 12
  57 4.8 48
  59 0.8 8
  65 4.7 47
  66 0.15 2
  67 7.7 77
  68 2 20
  69 46 460
  70 0.58 6
  71 0.8 8
  73 0.5 5
  74 0.5 5
  75 0.06 1
  77 18.2 182
  78 4 40
  79 22.7 227
  80 0.71 7
  81 8.7 87
  82 3.6 36
  83 2.5 25
  84 0.13 1
  89 1 10
  91 22.5 225
  92 13 130
  93 99.99 999
  94 13.7 137
  95 5.8 58
  96 0.8 8
  97 0.15 2
  103 1.1 11
  104 0.6 6
  105 16.7 167
  106 0.38 4
  107 25.3 253
  108 3.7 37
  109 7.7 77
  110 0.01 0
  111 1 10
  112 0.6 6
  115 1 10
  118 0.11 1
  119 86.1 861
  120 13.5 135
  121 9.7 97
  122 0.31 3
  123 2.7 27
  124 0.5 5
  133 5.1 51
  134 0.27 3
  135 7.1 71
  136 2.6 26
  147 2.6 26
  148 0.02 0
  149 1.2 12
  161 5.7 57
  162 1 10
  163 0.05 1
  189 2.5 25
  204 4.3 43
  205 0.6 6
//