MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011812
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011812
RECORD_TITLE: ISOPROPYL 2-(N-((4S)-4-(1-METHYLETHYL)-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$NAME: ISOPROPYL 2-(N-((4S)-4-(1-METHYLETHYL)-2-OXAZOLIDINONE-3-CARBAMOYL)(AMINOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20N2O5
CH$EXACT_MASS: 272.13722
CH$SMILES: CC(C)OC(=O)CNC(=O)N(C(=O)1)C(C(C)C)CO1
CH$IUPAC: InChI=1S/C12H20N2O5/c1-7(2)9-6-18-12(17)14(9)11(16)13-5-10(15)19-8(3)4/h7-9H,5-6H2,1-4H3,(H,13,16)/t9-/m1/s1
CH$LINK: INCHIKEY
ZYCQANPJTLYPTL-SECBINFHSA-N
AC$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: splash10-00kr-0910000000-6c512f4c8640a08a92be
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
102 39 390
112 1.9 19
116 47.3 473
117 13.1 131
129 15.4 154
144 9.4 94
162 1.6 16
175 1 10
185 99.99 999
186 11.4 114
203 4.9 49
213 10 100
272 20.6 206
273 1 10
//