ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011813
RECORD_TITLE: METHYL 2-(N-((4S)-4-(2-METHYLPROPYL)-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$NAME: METHYL 2-(N-((4S)-4-(2-METHYLPROPYL)-2-OXAZOLIDINONE-3-CARBAMOYL))AMINOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈N₂O₅
CH$EXACT_MASS: 258.12157
CH$SMILES: COC(=O)CNC(=O)N(C(=O)1)C(CC(C)C)CO1
CH$IUPAC: InChI=1S/C11H18N2O5/c1-7(2)4-8-6-18-11(16)13(8)10(15)12-5-9(14)17-3/h7-8H,4-6H2,1-3H3,(H,12,15)/t8-/m0/s1
CH$LINK: INCHIKEY FXKVIIWSTZSINQ-QMMMGPOBSA-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$SPLASH: splash10-0002-0940000000-8ceb08f2af30736c796c
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  100 1.2 12
  101 1.2 12
  114 16.5 165
  115 1.2 12
  118 1.6 16
  120 1.7 17
  132 1.2 12
  143 2.4 24
  144 3.8 38
  158 5.3 53
  159 1 10
  171 13.9 139
  182 2 20
  183 1.8 18
  199 99.99 999
  200 6.9 69
  201 1.4 14
  202 18.7 187
  203 1 10
  226 6.4 64
  227 7.6 76
  243 4.6 46
  258 26.4 264
  259 2.6 26
//