ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010680
RECORD_TITLE: GERMACRONE; 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$NAME: GERMACRONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₂O
CH$EXACT_MASS: 218.16707
CH$SMILES: CC(C1)=CCC(=C(C)C)C(=O)CC(C)=CC1
CH$IUPAC: InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8-,13-7-
CH$LINK: INCHIKEY CAULGCQHVOVVRN-SVGXSMIJSA-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$SPLASH: splash10-00kf-9400000000-448d355b877379056c92
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  41 99.99 999
  42 11 110
  43 36.5 365
  44 0.25 3
  45 3 30
  51 16 160
  52 9.5 95
  53 5 50
  54 10 100
  55 32 320
  56 7.5 75
  57 1.6 16
  63 6 60
  64 3 30
  65 24 240
  66 0.9 9
  67 57 570
  68 23.5 235
  69 21 210
  70 0.5 5
  71 8 80
  76 4.5 45
  77 31 310
  78 0.9 9
  79 31 310
  80 8 80
  81 18 180
  82 1.4 14
  83 8 80
  84 3 30
  85 4.5 45
  91 4.1 41
  92 8.5 85
  93 29 290
  94 6 60
  95 1.5 15
  96 8 80
  97 6 60
  98 2.5 25
  99 0.3 3
  103 6 60
  104 5 50
  105 23 230
  107 7.1 71
  108 16 160
  109 12 120
  110 4.5 45
  111 0.4 4
  115 6 60
  116 2.5 25
  117 8 80
  118 0.2 2
  119 15 150
  120 5 50
  121 23 230
  122 1.4 14
  123 8 80
  124 2 20
  125 4 40
  127 0.2 2
  128 4.5 45
  129 3 30
  130 2 20
  131 0.6 6
  132 5 50
  133 9.5 95
  134 4 40
  135 3.9 39
  136 18 180
  137 6 60
  143 3.5 35
  144 0.2 2
  145 5 50
  146 3 30
  147 9 90
  148 0.55 6
  149 15 150
  150 10 100
  151 4 40
  157 0.35 4
  158 2 20
  159 3 30
  160 2 20
  161 0.65 7
  162 4 40
  163 2 20
  175 8 80
  176 0.4 4
  177 2 20
  185 3 30
  187 2 20
  189 0.2 2
  190 3 30
  191 2 20
  200 3 30
  201 0.15 2
  203 6.5 65
  204 1.5 15
  218 11 110
  219 3.5 35
//