ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011828
RECORD_TITLE: (4S)-PERHYDRO-3-BENZYL-4-METHYL-1,3-OXAZIN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHINORI Y, FAC. SCIENCE, TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (4S)-PERHYDRO-3-BENZYL-4-METHYL-1,3-OXAZIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅NO₂
CH$EXACT_MASS: 205.11028
CH$SMILES: O=C(O1)N(Cc(c2)cccc2)C([H])(C)CC1
CH$IUPAC: InChI=1S/C12H15NO2/c1-10-7-8-15-12(14)13(10)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-/m0/s1
CH$LINK: INCHIKEY PHCSJPZLPYZQAY-JTQLQIEISA-N

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-0a4i-4690000000-f5905dc87a9dc3a5b190
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  41 1.6 16
  56 3.7 37
  65 5.3 53
  77 1.2 12
  79 2.7 27
  89 1.3 13
  91 45.4 454
  92 2.7 27
  104 12.2 122
  105 2.9 29
  106 10.8 108
  114 3.2 32
  128 3.7 37
  129 3.1 31
  132 6.2 62
  146 3.9 39
  150 14.9 149
  160 4.3 43
  162 6.2 62
  163 4.6 46
  176 2 20
  190 7.7 77
  204 4.8 48
  205 99.99 999
  206 12.3 123
//