ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011816
RECORD_TITLE: METHYL 2-(N-((4S)-4-(1,1-DIMETHYLETHYL)-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$NAME: METHYL 2-(N-((4S)-4-(1,1-DIMETHYLETHYL)-2-OXAZOLIDINONE-3-CARBAMOYL))AMINOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈N₂O₅
CH$EXACT_MASS: 258.12157
CH$SMILES: COC(=O)CNC(=O)N(C(=O)1)C(CO1)C(C)(C)C
CH$IUPAC: InChI=1S/C11H18N2O5/c1-11(2,3)7-6-18-10(16)13(7)9(15)12-5-8(14)17-4/h7H,5-6H2,1-4H3,(H,12,15)/t7-/m1/s1
CH$LINK: INCHIKEY AIBUFYWAAMTDHR-SSDOTTSWSA-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$SPLASH: splash10-0udi-0590000000-b83df24d957886ae2ee8
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  102 9.2 92
  116 5.1 51
  128 2.7 27
  143 2.5 25
  158 36.6 366
  159 2.7 27
  183 4.3 43
  199 33.5 335
  200 3.6 36
  201 4.1 41
  202 99.99 999
  203 14.6 146
  227 12.2 122
  228 1.2 12
  243 5.3 53
  258 14.1 141
  259 1.7 17
//