ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006330
RECORD_TITLE: (16R)-ENT-17-METHOXYKAURAN-15-ONE; 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$NAME: (16R)-ENT-17-METHOXYKAURAN-15-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₄O₂
CH$EXACT_MASS: 318.25588
CH$SMILES: COCC([H])(C(=O)1)C([H])(C4)CC(C3)1C([H])(C4)C(C)(C2)C([H])(C3)C(C)(C)CC2
CH$IUPAC: InChI=1S/C21H34O2/c1-19(2)9-5-10-20(3)16(19)8-11-21-12-14(6-7-17(20)21)15(13-23-4)18(21)22/h14-17H,5-13H2,1-4H3/t14-,15-,16-,17+,20-,21-/m0/s1
CH$LINK: INCHIKEY PABWEJPEEQIDES-GQDVPIKJSA-N

AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-0006-9440000000-4c5ed1933aba7edcfc76
PK$NUM_PEAK: 170
PK$PEAK: m/z int. rel.int.
  40 2.5 25
  41 99.99 999
  42 3.5 35
  43 2.85 29
  45 74.5 745
  46 2.9 29
  47 2.5 25
  50 0.2 2
  51 4 40
  52 4.5 45
  53 30 300
  54 0.3 3
  55 63.4 634
  56 4.2 42
  57 23 230
  65 0.6 6
  66 2.9 29
  67 42 420
  68 5.5 55
  69 5.3 53
  70 4 40
  71 5.2 52
  72 2.5 25
  73 0.25 3
  74 1.5 15
  75 2.3 23
  76 2.3 23
  77 0.95 10
  78 3.5 35
  79 44 440
  80 6 60
  81 4.7 47
  82 6.5 65
  83 5.5 55
  84 4 40
  85 0.48 5
  91 45 450
  92 11 110
  93 34.5 345
  94 0.75 8
  95 27.7 277
  96 4.5 45
  97 6.7 67
  98 0.15 2
  103 2.9 29
  104 4 40
  105 25.5 255
  106 0.3 3
  107 19.7 197
  108 3.8 38
  109 16.5 165
  110 0.25 3
  111 4 40
  112 2 20
  115 4.7 47
  116 0.22 2
  117 1.8 18
  118 3.2 32
  119 9 90
  120 0.52 5
  121 12.5 125
  122 6.5 65
  123 25 250
  124 0.38 4
  125 2 20
  130 1.1 11
  131 6.4 64
  132 0.25 3
  133 8.5 85
  134 2.7 27
  135 5 50
  136 0.78 8
  137 17 170
  138 2.8 28
  139 3 30
  141 0.3 3
  142 2 20
  143 2.8 28
  144 1.8 18
  145 0.55 6
  146 2.5 25
  147 8 80
  148 5.2 52
  149 1.45 15
  150 3 30
  151 1.5 15
  152 2.1 21
  153 0.2 2
  154 1.5 15
  155 2 20
  156 1.5 15
  157 0.34 3
  158 1.5 15
  159 5.5 55
  160 2.5 25
  161 0.72 7
  162 5.7 57
  163 5 50
  164 3 30
  165 0.35 4
  166 2.5 25
  167 3.5 35
  168 2.5 25
  169 0.25 3
  171 2.5 25
  172 1 10
  173 6.5 65
  174 0.24 2
  175 5.1 51
  176 3 30
  177 3.5 35
  180 0.45 5
  181 14.5 145
  182 4.5 45
  183 2.5 25
  185 0.3 3
  186 1 10
  187 4.2 42
  188 2.5 25
  189 0.6 6
  190 3.5 35
  191 2.5 25
  193 2.5 25
  194 0.35 4
  195 3 30
  199 3 30
  201 4 40
  202 0.3 3
  203 3 30
  204 2.5 25
  205 3.3 33
  213 0.47 5
  214 1.5 15
  215 42.4 424
  216 9 90
  217 0.31 3
  218 13.1 131
  219 3 30
  223 3.5 35
  229 0.15 2
  230 85 850
  231 21 210
  232 4 40
  243 1.1 11
  244 5 50
  253 10.9 109
  254 3.5 35
  255 0.5 5
  256 2.1 21
  257 8 80
  258 5.8 58
  259 0.45 5
  268 7 70
  269 1.5 15
  271 5 50
  272 0.35 4
  273 15.5 155
  274 5.7 57
  275 4.5 45
  285 0.9 9
  286 29 290
  287 9.2 92
  288 5.4 54
  300 0.55 6
  303 16 160
  304 4.5 45
  317 3 30
  318 4.75 48
  319 6.5 65
  320 1 10
//