ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011815
RECORD_TITLE: METHYL (2R)-2-(N-((4S)-4-(1-METHYLETHYL)-2-OXAZOLIDINONE-3-CARBAMOYL)AMINO)-4-PENTENOATE; 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$NAME: METHYL (2R)-2-(N-((4S)-4-(1-METHYLETHYL)-2-OXAZOLIDINONE-3-CARBAMOYL)AMINO)-4-PENTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀N₂O₅
CH$EXACT_MASS: 284.13722
CH$SMILES: C=CCC([H])(C(=O)OC)NC(=O)N(C(=O)1)C(C(C)C)CO1
CH$IUPAC: InChI=1S/C13H20N2O5/c1-5-6-9(11(16)19-4)14-12(17)15-10(8(2)3)7-20-13(15)18/h5,8-10H,1,6-7H2,2-4H3,(H,14,17)/t9-,10+/m0/s1
CH$LINK: INCHIKEY MTHRSLVRCLZWOL-VHSXEESVSA-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$SPLASH: splash10-0006-0090000000-13e1327b49c228c90c86
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  96 1.8 18
  112 7.5 75
  120 1 10
  128 2.1 21
  132 1.6 16
  156 1.6 16
  170 1.5 15
  182 3.7 37
  225 44.9 449
  226 5.7 57
  232 2 20
  243 99.99 999
  244 12.5 125
  245 1.6 16
  253 1.2 12
  284 8.9 89
//