ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011811
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL 2-(N-((4S)-4-(1-METHYLETHYL)-2-OXAZOLIDINONE-3-CARBAMOYL)AMINO)-4-PENTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄N₂O₅
CH$EXACT_MASS: 312.16852
CH$SMILES: C=CCC(C(=O)OC(C)C)NC(=O)N(C(=O)1)C(C(C)C)CO1
CH$IUPAC: InChI=1S/C15H24N2O5/c1-6-7-11(13(18)22-10(4)5)16-14(19)17-12(9(2)3)8-21-15(17)20/h6,9-12H,1,7-8H2,2-5H3,(H,16,19)/t11?,12-/m1/s1
CH$LINK: INCHIKEY LYZLPHKCONHVNV-PIJUOVFKSA-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$SPLASH: splash10-00b9-0190000000-a3c45ecfc2b3d8505b05
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  142 1.3 13
  153 1.2 12
  155 1.7 17
  156 1.3 13
  173 1 10
  174 2.7 27
  175 2.1 21
  176 2.7 27
  182 5.5 55
  185 27.5 275
  186 3.3 33
  211 1.8 18
  212 2.1 21
  213 2.9 29
  225 99.99 999
  226 13.9 139
  227 1.5 15
  229 26.8 268
  230 4.7 47
  253 6.4 64
  257 2.7 27
  271 86.5 865
  272 18.3 183
  273 2.4 24
  309 1.2 12
  311 3.5 35
  312 11.8 118
  313 5.6 56
//