ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007541
RECORD_TITLE: CEDROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CEDROL
CH$NAME: OCTAHYDRO-3,6,8,8-TETRAMETHYL-1H,3A,7-METHANOAZULEN-6-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O
CH$EXACT_MASS: 222.19837
CH$SMILES: [H]C(C)(C3)C(C2)(C1)C(C3)C(C)(C)C([H])(C(C)(O)C2)1
CH$IUPAC: InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11?,12-,14-,15?/m1/s1
CH$LINK: CAS 77-53-2
CH$LINK: INCHIKEY SVURIXNDRWRAFU-OWAXCYOXSA-N

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-100s-9800000000-13c9db7570aa91cb6fac
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  40 29.77 298
  67 26.94 269
  69 30.69 307
  81 44.36 444
  82 57.54 575
  93 18.54 185
  95 99.99 999
  105 55.83 558
  109 36.23 362
  119 23.96 240
  121 15.65 157
  133 9.06 91
  135 24.28 243
  150 52.98 530
  151 55.3 553
  161 8.46 85
  165 6 60
  207 6.55 66
//