ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002439
RECORD_TITLE: 8ALPHA-(3-HYDROXY-1-METHOXY-1-METHYL)PROPYL-6,6-DIMETHYL-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTAN-2-ONE; 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$NAME: 8ALPHA-(3-HYDROXY-1-METHOXY-1-METHYL)PROPYL-6,6-DIMETHYL-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O₃
CH$EXACT_MASS: 254.18819
CH$SMILES: OCCC(C)(OC)C([H])(C1)C([H])(C(=O)2)C([H])(CC2)C(C)(C)1
CH$IUPAC: InChI=1S/C15H26O3/c1-14(2)9-11(15(3,18-4)7-8-16)13-10(14)5-6-12(13)17/h10-11,13,16H,5-9H2,1-4H3/t10-,11+,13+,15?/m1/s1
CH$LINK: INCHIKEY JTROQJOPIHBYFP-GXBCUXGNSA-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 13.5 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-0920000000-184473adecf78fab3a4c
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  73 3.9 39
  83 2.5 25
  85 4.1 41
  86 3 30
  96 0.39 4
  102 10.6 106
  103 99.99 999
  104 9.9 99
  105 0.16 2
  133 2.3 23
  149 2.1 21
  177 6.4 64
  189 0.71 7
  195 1.8 18
  204 4.8 48
  207 4.4 44
  209 6.41 64
  210 10 100
  221 2.1 21
  222 2.8 28
  224 0.3 3
  236 2.5 25
  254 2.1 21
//