ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002374
RECORD_TITLE: TRANS-2-BENZYL-6-METHYLCYCLOHEXANONE; 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$NAME: TRANS-2-BENZYL-6-METHYLCYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O
CH$EXACT_MASS: 202.13577
CH$SMILES: CC(C2)C(=O)C(CC2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O/c1-11-6-5-9-13(14(11)15)10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13+/m1/s1
CH$LINK: INCHIKEY RADVUEMOCLDJMY-YPMHNXCESA-N

AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9410000000-12e4fff609b10191fdcc
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  43 5.81 58
  55 17.25 173
  57 6.09 61
  65 9.1 91
  67 3.92 39
  77 4.09 41
  83 6.8 68
  91 99.99 999
  92 15.1 151
  104 5.49 55
  105 3.15 32
  111 8.13 81
  115 5.65 57
  117 12.75 128
  118 3.98 40
  129 4.99 50
  131 6.04 60
  143 5.99 60
  145 6.8 68
  158 3.28 33
  159 13.25 133
  187 5.6 56
  202 30.4 304
  203 4.75 48
//