ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010171
RECORD_TITLE: 4,5-DIACETYL-3-PHENYLOXAZOLIDINE (4,5-TRANS); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 4,5-DIACETYL-3-PHENYLOXAZOLIDINE (4,5-TRANS)
CH$NAME: (4S,5S)-4,5-DIACETYL-3-PHENYLOXAZOLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H15NO3
CH$EXACT_MASS: 233.10519
CH$SMILES: CC(=O)C([H])(O2)C([H])(C(C)=O)N(C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H15NO3/c1-9(15)12-13(10(2)16)17-8-14(12)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3/t12-,13-/m1/s1
CH$LINK: INCHIKEY ZPLOACWSVMAWQV-CHWSQXEVSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0007-3900000000-797e2fe633a3f31efadc
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  39 3.46 35
  41 2.38 24
  42 4.33 43
  43 39.89 399
  50 2.13 21
  51 9.53 95
  65 4.77 48
  77 24.53 245
  78 3.48 35
  91 22.21 222
  92 2.54 25
  104 11.21 112
  105 4.04 40
  106 4.33 43
  117 4.32 43
  118 15.53 155
  119 4.15 42
  120 19.35 194
  121 2.21 22
  130 2.73 27
  146 31.79 318
  148 19.07 191
  149 50.45 505
  150 6 60
  160 6.09 61
  161 6.31 63
  162 25.3 253
  163 3.12 31
  190 99.99 999
  191 14.55 146
  233 21.05 211
  234 3.46 35
//
