ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003233
RECORD_TITLE: 3,5-DIMETHYL-4-(2'-CYCLOHEXANOYL)METHYL-ISOXAZOLE; 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$NAME: 3,5-DIMETHYL-4-(2'-CYCLOHEXANOYL)METHYL-ISOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H17NO2
CH$EXACT_MASS: 207.12593
CH$SMILES: O=C(C2)C(CCC2)Cc(c(C)1)c(C)on1
CH$IUPAC: InChI=1S/C12H17NO2/c1-8-11(9(2)15-13-8)7-10-5-3-4-6-12(10)14/h10H,3-7H2,1-2H3
CH$LINK: INCHIKEY OJARMPVCHPMKQI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30341498
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-03di-9810000000-29b48474d9e30ac4b815
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41 2 20
  42 10 100
  43 35 350
  68 46 460
  95 17 170
  110 99.99 999
  164 4 40
  207 23 230
//
