ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010677
RECORD_TITLE: SELIN-11-EN-4ALPHA-OL; 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$NAME: SELIN-11-EN-4ALPHA-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O
CH$EXACT_MASS: 222.19837
CH$SMILES: CC(=C)C([H])(C1)CC([H])(C(C)(O)2)C(C)(CCC2)C1
CH$IUPAC: InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14-,15-/m1/s1
CH$LINK: INCHIKEY DPQYOKVMVCQHMY-KBUPBQIOSA-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$SPLASH: splash10-0l7r-9720000000-b3242e1d8c98c39523ab
PK$NUM_PEAK: 96
PK$PEAK: m/z int. rel.int.
  41 20 200
  42 8 80
  43 36 360
  44 0.6 6
  45 8 80
  51 6 60
  52 4 40
  53 3.7 37
  54 7 70
  55 13 130
  56 6 60
  57 0.9 9
  58 18 180
  59 35 350
  65 15 150
  66 0.7 7
  67 61 610
  68 28 280
  69 41 410
  70 0.6 6
  71 83 830
  72 6 60
  77 26 260
  78 0.8 8
  79 16 160
  80 13 130
  81 99.99 999
  82 2.9 29
  83 17 170
  84 7 70
  85 17 170
  86 0.25 3
  91 35 350
  92 10 100
  93 20 200
  94 2.1 21
  95 23 230
  96 29 290
  97 13 130
  98 0.45 5
  99 3 30
  103 4 40
  104 3 30
  105 3.2 32
  106 11 110
  107 42 420
  108 26 260
  109 2.1 21
  110 10 100
  111 8 80
  113 5 50
  115 0.3 3
  117 5 50
  118 7 70
  119 18 180
  120 0.8 8
  121 38 380
  122 25 250
  123 36 360
  124 0.6 6
  125 10 100
  126 4 40
  131 5 50
  133 2.44 24
  134 20 200
  135 78 780
  136 20 200
  137 4.5 45
  138 7 70
  139 3 30
  142 21.5 215
  145 4 40
  146 0.3 3
  148 16 160
  149 24 240
  150 0.5 5
  151 5 50
  152 3 30
  161 41 410
  162 1.9 19
  163 6 60
  164 23 230
  165 6 60
  175 0.95 10
  176 4 40
  179 13 130
  180 3 30
  189 4 40
  190 7 70
  204 82.5 825
  205 37 370
  206 0.6 6
  207 12 120
  208 3 30
  222 29.9 299
  223 7 70
//