ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006331
RECORD_TITLE: (16R)-ENT-18-HYDOXYKAURAN-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$NAME: (16R)-ENT-18-HYDOXYKAURAN-15-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₂O₂
CH$EXACT_MASS: 304.24023
CH$SMILES: OCC(C)(C4)C([H])(C3)C(C)(CC4)C([H])(C2)C(C3)(C1)C(=O)C([H])(C)C([H])(C2)1
CH$IUPAC: InChI=1S/C20H32O2/c1-13-14-5-6-16-19(3)9-4-8-18(2,12-21)15(19)7-10-20(16,11-14)17(13)22/h13-16,21H,4-12H2,1-3H3/t13-,14+,15+,16-,18-,19?,20+/m1/s1
CH$LINK: INCHIKEY YIVOCKREJGXBSH-OSQPDDNXSA-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$SPLASH: splash10-0006-9410000000-663c157a1d9f71fd28a9
PK$NUM_PEAK: 113
PK$PEAK: m/z int. rel.int.
  40 4 40
  41 99.99 999
  42 4 40
  43 4.05 41
  45 11.5 115
  51 40 400
  52 17 170
  53 1.42 14
  54 4.5 45
  55 77 770
  56 14.2 142
  57 2.32 23
  65 14 140
  67 28.4 284
  68 8 80
  69 2.73 27
  70 9.1 91
  71 13.5 135
  74 12.2 122
  77 2.1 21
  78 2.5 25
  79 63.5 635
  80 9 90
  81 4.95 50
  82 11.5 115
  83 36.5 365
  84 15 150
  85 2.85 29
  91 58.2 582
  92 16.5 165
  93 28.5 285
  94 1.55 16
  95 30.5 305
  96 9.2 92
  97 13.5 135
  105 2.49 25
  106 14.5 145
  107 28 280
  108 11.5 115
  109 2.65 27
  110 8 80
  111 10.5 105
  112 2 20
  115 0.66 7
  119 19.5 195
  120 11.5 115
  121 19.5 195
  122 1.05 11
  123 33 330
  124 10.5 105
  125 9.5 95
  131 1 10
  133 14.5 145
  134 9 90
  135 20.5 205
  141 0.8 8
  145 19.7 197
  146 3 30
  147 16.5 165
  148 0.3 3
  149 14 140
  150 1.5 15
  151 8.5 85
  159 0.68 7
  160 2 20
  161 8.2 82
  162 1.8 18
  163 1.35 14
  164 2 20
  165 3 30
  171 2.1 21
  172 0.15 2
  173 6 60
  174 2 20
  175 3.8 38
  176 0.1 1
  177 2 20
  187 3 30
  189 2 20
  191 0.35 4
  199 1.5 15
  201 2.4 24
  202 1 10
  203 0.2 2
  213 2.5 25
  214 1 10
  215 10 100
  228 0.1 1
  229 1.8 18
  231 2.5 25
  241 1.5 15
  242 0.1 1
  243 2.5 25
  244 1.5 15
  245 2.4 24
  246 2.15 22
  253 1.5 15
  254 1 10
  255 8 80
  256 0.2 2
  257 2 20
  259 3.9 39
  261 6.5 65
  273 0.27 3
  274 30.5 305
  275 7.5 75
  286 3.5 35
  287 0.1 1
  288 2 20
  289 6.5 65
  304 22.5 225
  305 0.5 5
  306 1 10
//