ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002850
RECORD_TITLE: ISO-LONGIFOLENE; 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$NAME: ISO-LONGIFOLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)(C3)C(C2)(C1)C(=CC3)C(C)(C)C([H])(C2)1
CH$IUPAC: InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1
CH$LINK: INCHIKEY CQUAYTJDLQBXCQ-NHYWBVRUSA-N
CH$LINK: COMPTOX DTXSID1044518

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$SPLASH: splash10-0imr-4900000000-ae89f064f2cdd8efb22c
PK$NUM_PEAK: 132
PK$PEAK: m/z int. rel.int.
  38 1.7 17
  39 41.7 417
  40 6.5 65
  41 7.47 75
  42 5.1 51
  43 16.2 162
  44 0.5 5
  50 0.21 2
  51 11 110
  52 4.8 48
  53 21.1 211
  54 0.25 3
  55 25.7 257
  56 4.1 41
  57 3 30
  58 0.08 1
  62 0.8 8
  63 4.6 46
  64 2.8 28
  65 1.38 14
  66 3.6 36
  67 14.2 142
  68 1.7 17
  69 0.16 2
  70 1.6 16
  71 2.3 23
  72 1.3 13
  73 0.04 0
  74 0.5 5
  75 1 10
  76 1.2 12
  77 2.53 25
  78 7.3 73
  79 20.6 206
  80 4.3 43
  81 1.17 12
  82 2.6 26
  83 3.3 33
  84 0.5 5
  85 0.05 1
  87 0.5 5
  89 1.7 17
  90 0.8 8
  91 3.95 40
  92 8.2 82
  93 22.1 221
  94 9.8 98
  95 1.33 13
  96 2.2 22
  97 1 10
  98 0.2 2
  101 0.05 1
  102 1.5 15
  103 4.8 48
  104 3.5 35
  105 4.33 43
  106 9.8 98
  107 21.1 211
  108 7.2 72
  109 0.72 7
  110 1.2 12
  111 0.6 6
  112 0.4 4
  115 0.1 1
  116 4.5 45
  117 10.3 103
  118 3.2 32
  119 3.83 38
  120 11.7 117
  121 13 130
  122 4.7 47
  123 0.32 3
  124 0.5 5
  126 0.5 5
  127 2.5 25
  128 0.75 8
  129 7 70
  130 3.7 37
  131 11 110
  132 0.43 4
  133 41.7 417
  134 10 100
  135 9.1 91
  136 0.35 4
  137 1.5 15
  138 0.2 2
  139 0.5 5
  140 0.04 0
  141 2.1 21
  142 2.1 21
  143 4 40
  144 0.25 3
  145 14.5 145
  146 3.7 37
  147 17.1 171
  148 4.26 43
  149 8.2 82
  150 1.1 11
  151 0.4 4
  152 0.05 1
  153 0.5 5
  155 0.8 8
  156 0.5 5
  157 0.02 0
  158 1.2 12
  159 15.8 158
  160 5.7 57
  161 99.99 999
  162 14.5 145
  163 2 20
  164 0.6 6
  173 0.15 2
  174 1 10
  175 61.5 615
  176 10.5 105
  177 0.13 1
  183 0.6 6
  185 0.8 8
  187 12.1 121
  188 0.21 2
  189 31 310
  190 5 50
  191 0.5 5
  192 0.01 0
  198 0.2 2
  200 0.5 5
  201 0.5 5
  202 0.05 1
  203 1.5 15
  204 31.6 316
  205 5.3 53
  218 0.8 8
//