ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002836
RECORD_TITLE: ALPHA-GURJUNENE; 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$NAME: ALPHA-GURJUNENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C3)=C(C([H])(C3)2)C([H])(C(C)(C)1)C([H])(CCC([H])(C)2)1
CH$IUPAC: InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1
CH$LINK: INCHIKEY SPCXZDDGSGTVAW-XIDUGBJDSA-N
CH$LINK: COMPTOX DTXSID0052126

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$SPLASH: splash10-0mif-7920000000-0ff216c251a59b634e17
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
  26 1.2 12
  27 16.6 166
  29 20 200
  31 0.12 1
  37 0.5 5
  38 0.5 5
  39 23.1 231
  40 0.04 0
  41 71.7 717
  42 5 50
  43 20.5 205
  44 0.05 1
  50 1.1 11
  51 7 70
  52 3.2 32
  53 2.11 21
  54 2.5 25
  55 47.2 472
  56 3.2 32
  57 0.61 6
  58 1.1 11
  59 1 10
  62 0.5 5
  63 0.03 0
  64 0.21 2
  65 14.8 148
  66 4 40
  67 26.2 262
  68 0.23 2
  69 23.5 235
  70 2 20
  71 2 20
  72 0.08 1
  74 1 10
  75 2.1 21
  76 1 10
  77 0.35 4
  78 10 100
  79 35 350
  80 7 70
  81 3.85 39
  82 4.1 41
  83 5.3 53
  84 0.8 8
  85 0.06 1
  88 0.8 8
  89 2 20
  90 1.1 11
  91 6.77 68
  92 10 100
  93 40.2 402
  94 8.3 83
  95 2.32 23
  96 3.1 31
  97 1.2 12
  101 0.8 8
  102 1.5 15
  103 6.8 68
  104 4 40
  105 8.75 88
  106 15.5 155
  107 40.2 402
  108 9.2 92
  109 1.78 18
  110 2.5 25
  111 0.5 5
  115 9.6 96
  116 0.48 5
  117 13.5 135
  118 3.6 36
  119 68.2 682
  120 1.35 14
  121 20.1 201
  122 10.3 103
  123 3.6 36
  124 0.08 1
  126 0.5 5
  127 3.5 35
  128 6.1 61
  129 0.57 6
  130 3.1 31
  131 12 120
  132 4 40
  133 4.72 47
  134 9.2 92
  135 7 70
  136 1.8 18
  141 0.13 1
  142 1 10
  143 1.5 15
  144 1.2 12
  145 0.76 8
  146 3.6 36
  147 36.7 367
  148 14.6 146
  149 1.31 13
  150 2 20
  151 0.5 5
  157 0.5 5
  158 0.05 1
  159 2.8 28
  160 3.5 35
  161 94.6 946
  162 1.55 16
  163 2.2 22
  173 0.8 8
  174 1 10
  175 1.11 11
  176 3 30
  177 1 10
  189 78.7 787
  190 1.22 12
  191 1 10
  202 0.8 8
  203 2.5 25
  204 99.99 999
  205 17.5 175
  206 1.5 15
//