ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002832
RECORD_TITLE: EREMOPHILENE; 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$NAME: EREMOPHILENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C)C(C1)CC(C)(C(C)2)C(=CCC2)C1
CH$IUPAC: InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13+,15+/m0/s1
CH$LINK: INCHIKEY QEBNYNLSCGVZOH-GZBFAFLISA-N
CH$LINK: COMPTOX DTXSID30144729

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$SPLASH: splash10-052f-8900000000-2081ccdb77b81bd5479e
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 20.5 205
  28 1.5 15
  29 2.47 25
  30 0.5 5
  37 0.5 5
  38 0.8 8
  39 3.13 31
  40 7.7 77
  41 86.5 865
  42 7.2 72
  43 1.86 19
  50 1.3 13
  51 8.1 81
  52 4.5 45
  53 3.21 32
  54 3.7 37
  55 51.5 515
  56 3.1 31
  57 0.43 4
  58 1 10
  59 0.5 5
  62 0.5 5
  63 0.03 0
  64 2.2 22
  65 19.5 195
  66 9 90
  67 3.85 39
  68 11.3 113
  69 26.3 263
  70 2.5 25
  71 0.18 2
  72 0.8 8
  73 1 10
  74 0.8 8
  75 0.02 0
  76 1 10
  77 44 440
  78 12.2 122
  79 9.55 96
  80 16.7 167
  81 56 560
  82 8.1 81
  83 0.06 1
  84 0.8 8
  85 0.6 6
  87 0.8 8
  88 0.01 0
  89 2.1 21
  90 1.5 15
  91 91 910
  92 2.72 27
  93 95.5 955
  94 30 300
  95 50.5 505
  96 0.86 9
  97 11.3 113
  98 1.1 11
  102 1.2 12
  103 0.56 6
  104 4 40
  105 82 820
  106 26.7 267
  107 99.99 999
  108 57.7 577
  109 22.6 226
  110 2.7 27
  111 0.08 1
  115 7.2 72
  116 3.5 35
  117 10 100
  118 0.72 7
  119 86.5 865
  120 26.3 263
  121 43.5 435
  122 0.19 2
  123 11.3 113
  124 1.3 13
  127 1.8 18
  128 0.35 4
  129 3.2 32
  130 1.7 17
  131 6.8 68
  132 0.28 3
  133 56.5 565
  134 28.1 281
  135 44.5 445
  136 1.08 11
  137 1.1 11
  141 1 10
  142 0.6 6
  143 0.01 0
  144 0.6 6
  145 5.5 55
  146 2.7 27
  147 4.26 43
  148 17.2 172
  149 6.7 67
  150 1 10
  159 0.13 1
  160 2.7 27
  161 95.5 955
  162 25.3 253
  163 0.67 7
  164 0.8 8
  173 0.5 5
  174 0.5 5
  175 1.05 11
  176 5.7 57
  177 1 10
  187 0.5 5
  189 0.42 4
  190 7.2 72
  191 0.5 5
  203 1 10
  204 5.31 53
  205 9.5 95
  206 0.8 8
//