MassBank Record: JP002448



 (3R)-4-(TERT-BUTYLTHIO)-3-ETHOXYCARBONYLAMINO-2-BUTANONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002448
RECORD_TITLE: (3R)-4-(TERT-BUTYLTHIO)-3-ETHOXYCARBONYLAMINO-2-BUTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (3R)-4-(TERT-BUTYLTHIO)-3-ETHOXYCARBONYLAMINO-2-BUTANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H21NO3S CH$EXACT_MASS: 247.12421 CH$SMILES: CCOC(=O)NC([H])(C(C)=O)CSC(C)(C)C CH$IUPAC: InChI=1S/C11H21NO3S/c1-6-15-10(14)12-9(8(2)13)7-16-11(3,4)5/h9H,6-7H2,1-5H3,(H,12,14)/t9-/m0/s1
AC$INSTRUMENT: HITACHI M-52 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 13.5 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0zfr-0950000000-ede10557df1ec9c485d6 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 57 10.4 104 76 2.8 28 90 1.1 11 101 0.41 4 102 16 160 103 17.6 176 104 5.7 57 107 0.33 3 108 1.1 11 115 3.9 39 145 3 30 146 0.3 3 148 9.4 94 149 6.9 69 150 8.8 88 157 0.13 1 158 99.99 999 159 6.6 66 160 2.5 25 174 0.24 2 204 96.5 965 205 9.4 94 206 2 20 247 0.13 1 248 1.3 13 //