ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010692
RECORD_TITLE: (+)-ALPHA-CYPERONE; 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$NAME: (+)-ALPHA-CYPERONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₂O
CH$EXACT_MASS: 218.16707
CH$SMILES: CC(=C)C([H])(C1)CC(=C(C)2)C(C)(CCC(=O)2)C1
CH$IUPAC: InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15?/m1/s1
CH$LINK: INCHIKEY KUFXJZXMWHNCEH-KEKZHRQWSA-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$SPLASH: splash10-0006-9700000000-a4f6ddf93d1ac3db8abd
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  41 99.99 999
  42 7.5 75
  43 49 490
  45 0.2 2
  51 10 100
  52 7 70
  53 39 390
  54 0.8 8
  55 52 520
  56 5 50
  57 8 80
  58 0.2 2
  59 4 40
  63 3 30
  64 2 20
  65 4 40
  66 7 70
  67 40 400
  68 9 90
  69 3.1 31
  70 4 40
  71 10 100
  77 36 360
  78 0.9 9
  79 43 430
  80 13 130
  81 32 320
  82 1.4 14
  83 8 80
  84 2.5 25
  85 3 30
  91 4.7 47
  92 10 100
  93 47 470
  94 13 130
  95 2.9 29
  96 8 80
  97 8 80
  103 5 50
  104 0.2 2
  105 33.5 335
  106 11 110
  107 32 320
  108 2.2 22
  109 32 320
  110 12 120
  111 10 100
  112 0.5 5
  115 5 50
  116 2 20
  117 8 80
  118 0.4 4
  119 34 340
  120 14.5 145
  121 30 300
  122 1.7 17
  123 10.5 105
  124 11 110
  125 3 30
  127 0.3 3
  128 3 30
  131 6.5 65
  132 7 70
  133 2.3 23
  134 14 140
  135 16 160
  136 32.5 325
  137 1.8 18
  138 5 50
  143 3 30
  145 6 60
  146 0.4 4
  147 28 280
  148 11 110
  149 7 70
  150 0.8 8
  151 2 20
  157 5 50
  159 5 50
  160 0.3 3
  161 26.5 265
  162 14 140
  163 5 50
  175 1.9 19
  176 9 90
  177 4 40
  179 1.5 15
  185 0.4 4
  189 4 40
  190 5 50
  200 1.5 15
  201 0.1 1
  203 12 120
  204 5 50
  218 29 290
  219 1.45 15
  220 3 30
//