ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002834
RECORD_TITLE: ALPHA-GUAIENE; 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$NAME: ALPHA-GUAIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C)C([H])(C1)CC(C([H])(C)2)=C(CC2)C([H])(C)C1
CH$IUPAC: InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m0/s1
CH$LINK: INCHIKEY ADIDQIZBYUABQK-RWMBFGLXSA-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$SPLASH: splash10-0537-9800000000-cee1d5d289f18f7b57be
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 16 160
  29 20.1 201
  37 0.06 1
  38 0.6 6
  39 26.7 267
  40 5.2 52
  41 0.68 7
  42 4.6 46
  43 13.8 138
  50 1.3 13
  51 0.75 8
  52 4.8 48
  53 28 280
  54 3.5 35
  55 4.65 47
  56 2.6 26
  57 4 40
  58 0.8 8
  62 0.05 1
  63 3 30
  64 2 20
  65 16 160
  66 0.63 6
  67 38.2 382
  68 11.2 112
  69 19.5 195
  70 0.16 2
  71 1.5 15
  72 1 10
  73 0.8 8
  74 0.08 1
  75 3.1 31
  76 1.5 15
  77 40.3 403
  78 1.06 11
  79 61.6 616
  80 11.5 115
  81 59.5 595
  82 0.07 1
  83 3.3 33
  84 0.5 5
  87 1 10
  88 0.06 1
  89 2.1 21
  90 1.2 12
  91 61 610
  92 1.28 13
  93 78.5 785
  94 25.7 257
  95 49 490
  96 0.65 7
  97 1.5 15
  101 0.6 6
  102 1.1 11
  103 0.51 5
  104 3.5 35
  105 99.99 999
  106 24 240
  107 8.95 90
  108 38.2 382
  109 22.5 225
  110 2.5 25
  111 0.06 1
  115 6.7 67
  116 3.5 35
  117 9.1 91
  118 0.27 3
  119 36 360
  120 17.8 178
  121 42.5 425
  122 1.97 20
  123 26.7 267
  124 2.6 26
  127 1.5 15
  128 0.37 4
  129 3.7 37
  130 1.8 18
  131 8.5 85
  132 0.23 2
  133 53.1 531
  134 13.3 133
  135 15.7 157
  136 0.37 4
  137 0.5 5
  141 1 10
  142 0.5 5
  143 0.08 1
  144 0.6 6
  145 4.5 45
  146 4.2 42
  147 8.05 81
  148 44.6 446
  149 19.5 195
  150 2.1 21
  159 0.11 1
  160 1 10
  161 24.8 248
  162 11.2 112
  163 0.21 2
  175 6.7 67
  176 2.1 21
  189 40.3 403
  190 0.65 7
  191 0.5 5
  204 49 490
  205 8.5 85
  206 0.6 6
//