ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010693
RECORD_TITLE: (+)-ALPHA-MUUROLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (+)-ALPHA-MUUROLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C2)=C([H])C([H])(C([H])(C(C)C)1)C([H])(C2)C(C)=C([H])C1
CH$IUPAC: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m1/s1
CH$LINK: INCHIKEY QMAYBMKBYCGXDH-QLFBSQMISA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-6900000000-e29d06058de77b5a076d
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  41 40.3 403
  42 3.2 32
  43 20.9 209
  44 0.16 2
  51 4.8 48
  52 1.6 16
  53 12.9 129
  54 0.16 2
  55 19.4 194
  56 3.2 32
  57 8.1 81
  63 0.24 2
  64 1.6 16
  65 8.1 81
  66 1.6 16
  67 0.89 9
  68 1.6 16
  69 11.3 113
  70 1.6 16
  73 0.16 2
  77 19.4 194
  78 4.8 48
  79 19.4 194
  80 0.48 5
  81 29 290
  82 3.2 32
  83 1.6 16
  89 0.16 2
  91 27.4 274
  92 11.3 113
  93 37.1 371
  94 3.55 36
  95 9.7 97
  103 4 40
  104 2.4 24
  105 99.99 999
  106 17.7 177
  107 11.3 113
  108 9.7 97
  109 0.32 3
  110 1.6 16
  115 6.5 65
  116 2.4 24
  117 0.81 8
  118 3.2 32
  119 29 290
  120 6.5 65
  121 1.13 11
  122 4.8 48
  123 9.7 97
  127 1.6 16
  128 0.48 5
  129 4.8 48
  130 3.2 32
  131 5.6 56
  132 0.16 2
  133 14.5 145
  134 8.1 81
  135 4.8 48
  136 0.32 3
  141 2.4 24
  142 1.6 16
  143 2.4 24
  144 0.16 2
  145 8.1 81
  146 2.4 24
  147 22.6 226
  148 0.97 10
  149 6.5 65
  150 1.6 16
  159 2.4 24
  160 0.48 5
  161 56.5 565
  162 19.4 194
  163 2.4 24
  175 0.48 5
  176 2.4 24
  189 12.9 129
  190 4 40
  204 3.55 36
  205 6.5 65
  206 1.6 16
//