ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007305
RECORD_TITLE: 2BETA-FORMYL-11ALPHA-METHOXY-6,6,8BETA-TRIMETHYL-5ALPHA-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$NAME: 2BETA-FORMYL-11ALPHA-METHOXY-6,6,8BETA-TRIMETHYL-5ALPHA-TRICYCLO(6.3.0.0(1,5))UNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H26O2
CH$EXACT_MASS: 250.19328
CH$SMILES: O=CC([H])(C2)C(C([H])(OC)3)(C(C)(CC3)1)C([H])(C2)C(C)(C)C1
CH$IUPAC: InChI=1S/C16H26O2/c1-14(2)10-15(3)8-7-13(18-4)16(15)11(9-17)5-6-12(14)16/h9,11-13H,5-8,10H2,1-4H3/t11?,12-,13-,15-,16?/m0/s1
CH$LINK: INCHIKEY UAECGCRCKRSQPE-GKDSDUKGSA-N
AC$INSTRUMENT: Unknown
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: splash10-03fr-0910000000-144ad787b08065c12380
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  43 2.5 25
  58 5.9 59
  71 2.5 25
  72 1.09 11
  73 2.5 25
  81 5.3 53
  93 2 20
  95 0.31 3
  96 2.2 22
  100 2 20
  106 2 20
  109 0.84 8
  110 8.1 81
  119 5 50
  120 2.5 25
  123 0.4 4
  124 4 40
  131 2 20
  134 14.3 143
  135 0.64 6
  137 17.6 176
  138 9.8 98
  145 2.2 22
  147 0.31 3
  149 26.6 266
  150 5.6 56
  151 5.9 59
  161 3.44 34
  162 29.7 297
  163 99.99 999
  164 15.1 151
  165 4.84 48
  166 29.7 297
  167 3.9 39
  175 11.8 118
  177 1.93 19
  178 12 120
  179 96.9 969
  180 5.6 56
  187 0.25 3
  189 2 20
  190 6.7 67
  191 2.8 28
  193 1.23 12
  194 6.7 67
  195 7.8 78
  203 5.6 56
  204 0.56 6
  205 3.1 31
  207 2.5 25
  208 3.6 36
  216 0.25 3
  217 2 20
  218 21.9 219
  219 7 70
  220 0.22 2
  221 2.2 22
  222 12.6 126
  223 2.5 25
  235 1.82 18
  236 8.4 84
  237 2.5 25
  248 8.7 87
  250 0.95 10
  251 2.8 28
//
