ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007540
RECORD_TITLE: ALPHA-CEDRENE; 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$NAME: ALPHA-CEDRENE
CH$NAME: 2,6,6,8-TETRAMETHYLTRICYCLO(5.3.1.0(1,5))UNDEC-8-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C3)C(C1)C(C)(C)C(C2)C(C3)(C(C)C2)1
CH$IUPAC: InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3
CH$LINK: CAS 469-61-4
CH$LINK: INCHIKEY IRAQOCYXUMOFCW-UHFFFAOYSA-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$SPLASH: splash10-014i-3900000000-5a59b45b4c0746096058
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  69 16.52 165
  70 4.81 48
  79 2.51 25
  81 3.16 32
  92 9.99 100
  93 35.8 358
  105 18.29 183
  109 6.14 61
  119 99.99 999
  120 14.91 149
  133 4.06 41
  136 7.06 71
  147 7.98 80
  148 4.27 43
  161 15.51 155
  162 3.52 35
  189 3.01 30
  204 15.09 151
  205 2.57 26
//