ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011809
RECORD_TITLE: METHYL 2-(N-((4S,5R)-4-METHYL-5-PHENYL-2-OXAZOLIDINONE-3-CARBAMOYL))AMINOACETATE; 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$NAME: METHYL 2-(N-((4S,5R)-4-METHYL-5-PHENYL-2-OXAZOLIDINONE-3-CARBAMOYL))AMINOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₆N₂O₅
CH$EXACT_MASS: 292.10592
CH$SMILES: COC(=O)CNC(=O)N(C(=O)2)C(C)C(O2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H16N2O5/c1-9-12(10-6-4-3-5-7-10)21-14(19)16(9)13(18)15-8-11(17)20-2/h3-7,9,12H,8H2,1-2H3,(H,15,18)/t9-,12-/m0/s1
CH$LINK: INCHIKEY SMQRFSJLAUXFKT-CABZTGNLSA-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$SPLASH: splash10-001l-0390000000-6b62c5760114b30c5f33
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  142 4.4 44
  145 1 10
  146 1.4 14
  159 3 30
  160 57.3 573
  161 6.8 68
  162 1.9 19
  176 2.5 25
  177 8.2 82
  189 14.9 149
  190 1.8 18
  233 99.99 999
  234 15.8 158
  235 1.6 16
  248 1.2 12
  249 1 10
  260 4.5 45
  261 9.2 92
  262 1.3 13
  292 85.5 855
  293 14.1 141
  294 1.8 18
//