ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005247
RECORD_TITLE: CEDRANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: CEDRANE
CH$NAME: (3R-(3ALPHA,3ALPHABETA,6ALPHA,7BETA,8AALPHA))-OCTAHYDRO-3,6,8,8-TETRAMETHYL-1H-3A,7-METHANOAZULENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆
CH$EXACT_MASS: 206.20345
CH$SMILES: CC(C3)C([H])(C1)C(C)(C)C([H])(C2)C(C3)1C([H])(C)C2
CH$IUPAC: InChI=1S/C15H26/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h10-13H,5-9H2,1-4H3/t10-,11-,12+,13+,15?/m1/s1
CH$LINK: INCHIKEY JJTQQGNEXQKQRF-NFXCRTCFSA-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$SPLASH: splash10-014i-2900000000-b76dac12959ca37e170b
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 1.8 18
  29 1.8 18
  39 2.8 28
  41 1.08 11
  55 8.1 81
  56 7.5 75
  67 4.5 45
  69 1.48 15
  77 8.2 82
  79 5.9 59
  91 13.2 132
  93 3.94 39
  105 25.1 251
  107 6.4 64
  119 99.99 999
  120 1.48 15
  133 7.7 77
  136 7.7 77
  147 9.9 99
  148 0.46 5
  161 21.6 216
  162 4.2 42
  175 1.3 13
  189 0.37 4
  206 3.6 36
//