ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010688
RECORD_TITLE: CALAMENENE; 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$NAME: CALAMENENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₂
CH$EXACT_MASS: 202.17215
CH$SMILES: Cc(c2)cc(c(c2)1)C([H])(C(C)C)CCC([H])(C)1
CH$IUPAC: InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1
CH$LINK: INCHIKEY PGTJIOWQJWHTJJ-STQMWFEESA-N
CH$LINK: COMPTOX DTXSID40880702

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$SPLASH: splash10-053r-2900000000-04f69771dc2275c05168
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  41 23 230
  42 2 20
  43 11 110
  44 1 10
  51 4 40
  53 7 70
  55 12 120
  56 0.3 3
  57 4 40
  63 3 30
  65 8 80
  68 0.7 7
  69 8 80
  71 2 20
  77 11 110
  78 0.4 4
  79 7 70
  81 5 50
  82 1 10
  83 0.7 7
  91 22 220
  92 6 60
  93 7 70
  95 0.5 5
  103 4 40
  104 4 40
  105 30 300
  106 0.5 5
  107 4 40
  109 3 30
  115 22 220
  116 0.8 8
  117 19 190
  118 6 60
  119 33 330
  120 1.1 11
  121 3 30
  127 7 70
  128 24 240
  129 2.3 23
  130 9 90
  131 51 510
  132 99.99 999
  133 1.8 18
  141 10 100
  142 7 70
  143 14 140
  144 1.4 14
  145 36 360
  146 10 100
  147 3 30
  149 0.3 3
  157 4 40
  158 5 50
  159 98 980
  160 2.9 29
  161 7 70
  187 7 70
  188 1 10
  202 5.7 57
  203 10 100
  204 3 30
//