ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010505
RECORD_TITLE: N-BENZYL-3-CYCLOHEXAENCARBONYLOXY-2,2-DIMETHYLPROPANAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TSUNODA T, FACULTY OF PHARMACEUTICAL SCIENCES, TOKUSHIMA BUNRI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-BENZYL-3-CYCLOHEXAENCARBONYLOXY-2,2-DIMETHYLPROPANAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₇NO₃
CH$EXACT_MASS: 317.19909
CH$SMILES: c(c2)ccc(c2)CNC(=O)C(C)(C)COC(=O)C(C1)CCCC1
CH$IUPAC: InChI=1S/C19H27NO3/c1-19(2,14-23-17(21)16-11-7-4-8-12-16)18(22)20-13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3,(H,20,22)
CH$LINK: INCHIKEY AVZVCRIZNLQGRH-UHFFFAOYSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-0a4i-9520000000-3c94c5703d819c242b08
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  28 19.8 198
  29 5.2 52
  32 7.8 78
  41 18.2 182
  55 26.7 267
  56 18.1 181
  65 5.8 58
  73 9.7 97
  83 35.9 359
  91 52.4 524
  106 99.99 999
  107 10.9 109
  129 10.9 109
  206 49.7 497
  207 12 120
  317 2.7 27
//