ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007304
RECORD_TITLE: 5BETA,9,9,11BETA-TETRAMETHYL-3-PROPIONYL-8ALPHA-TETRACYCLO(5.5.0.0.0(1,5).0(1,11))TRIDECAN-2ALPHA-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5BETA,9,9,11BETA-TETRAMETHYL-3-PROPIONYL-8ALPHA-TETRACYCLO(5.5.0.0.0(1,5).0(1,11))TRIDECAN-2ALPHA-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₂O₂
CH$EXACT_MASS: 304.24023
CH$SMILES: CCC(=O)C(C4)C(O)(C3)C(C(C)24)(C(C)(C3)1)C([H])(CC2)C(C)(C)C1
CH$IUPAC: InChI=1S/C20H32O2/c1-6-14(21)13-11-17(4)8-7-15-16(2,3)12-18(5)9-10-19(13,22)20(15,17)18/h13,15,22H,6-12H2,1-5H3/t13?,15-,17+,18+,19+,20?/m1/s1
CH$LINK: INCHIKEY DBATUTTYKIKNAC-SPAAZLJQSA-N

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0076-1970000000-ed26cfb67de6ba0939e9
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  55 5.4 54
  57 13.3 133
  58 3.8 38
  69 0.27 3
  81 3.3 33
  83 2.7 27
  84 3.5 35
  85 0.38 4
  91 2.4 24
  93 2.2 22
  95 3.8 38
  97 0.73 7
  105 2.2 22
  107 11.9 119
  108 2.2 22
  109 0.35 4
  110 3.3 33
  111 5.4 54
  113 2.4 24
  119 0.27 3
  121 17.9 179
  122 4.9 49
  123 6.5 65
  124 0.35 4
  125 6 60
  131 4.3 43
  133 6.8 68
  135 1.09 11
  136 2.4 24
  139 3.3 33
  140 3.5 35
  143 0.22 2
  145 3.8 38
  147 2.4 24
  149 4.1 41
  159 1.47 15
  161 7.1 71
  162 11.1 111
  163 34.8 348
  164 0.43 4
  165 7.6 76
  171 2.7 27
  173 14.7 147
  174 0.41 4
  175 10.3 103
  176 5.2 52
  177 3.8 38
  178 0.24 2
  179 2.4 24
  187 5.2 52
  188 4.1 41
  189 0.76 8
  190 3.3 33
  191 4.6 46
  192 99.99 999
  193 2.12 21
  200 14.1 141
  201 7.6 76
  202 3 30
  204 0.24 2
  215 9 90
  217 2.2 22
  218 3.3 33
  219 1.28 13
  220 18.2 182
  229 47 470
  230 17.1 171
  231 0.22 2
  232 6 60
  233 5.7 57
  243 3.8 38
  247 0.27 3
  248 8.7 87
  249 2.2 22
  253 2.4 24
  257 3.03 30
  258 9 90
  268 2.4 24
  271 13 130
  272 0.38 4
  286 60.6 606
  287 17.1 171
  288 2.4 24
  304 6.8 68
//