MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011811
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
//