ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007309
RECORD_TITLE: 11ALPHA-(3-HYDROXYPROPYL)-2-METHOXY-5ALPHA,7,7,11BETA-TETRAMETHYL-8ALPHA-TRICYCLO(6.3.0.0(1,5))UNDECANE; 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$NAME: 11ALPHA-(3-HYDROXYPROPYL)-2-METHOXY-5ALPHA,7,7,11BETA-TETRAMETHYL-8ALPHA-TRICYCLO(6.3.0.0(1,5))UNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H34O2
CH$EXACT_MASS: 294.25588
CH$SMILES: OCCCC(C)(C2)C(C(OC)3)(C(C)(CC3)1)C([H])(C2)C(C)(C)C1
CH$IUPAC: InChI=1S/C19H34O2/c1-16(2)13-18(4)11-8-15(21-5)19(18)14(16)7-10-17(19,3)9-6-12-20/h14-15,20H,6-13H2,1-5H3/t14-,15?,17+,18-,19?/m1/s1
CH$LINK: INCHIKEY UVAHUFINWOHERU-IQQHIWDUSA-N
AC$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: splash10-00bi-6490000000-e7384aa21b4361ed3f35
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  71 3 30
  72 2.2 22
  78 99.99 999
  79 1.61 16
  85 27.6 276
  92 3.5 35
  95 2 20
  97 0.25 3
  107 2.4 24
  109 3.5 35
  113 2.6 26
  121 0.73 7
  123 4.1 41
  124 2.3 23
  135 4.6 46
  147 1.35 14
  148 1.9 19
  149 4 40
  150 3.7 37
  162 1.3 13
  163 44.2 442
  164 3.4 34
  167 2.9 29
  170 0.22 2
  175 7.8 78
  177 2 20
  179 7.8 78
  203 0.94 9
  204 5.8 58
  205 21.3 213
  206 8.8 88
  207 0.21 2
  219 3.9 39
  220 2.6 26
  221 34.3 343
  222 3.02 30
  223 41.6 416
  224 7.3 73
  226 2 20
  234 0.23 2
  235 38 380
  236 9.9 99
  237 3.6 36
  247 0.71 7
  262 8.3 83
  279 2.8 28
  294 1.1 11
//
