MassBank Record: JP002428



 (4R)-3-TERT-BUTOXYCARBONYL-2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002428
RECORD_TITLE: (4R)-3-TERT-BUTOXYCARBONYL-2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID; 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$NAME: (4R)-3-TERT-BUTOXYCARBONYL-2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H19NO4S CH$EXACT_MASS: 261.10348 CH$SMILES: CC(C)(C)OC(=O)N(C(C)(C)1)C([H])(C(O)=O)CS1 CH$IUPAC: InChI=1S/C11H19NO4S/c1-10(2,3)16-9(15)12-7(8(13)14)6-17-11(12,4)5/h7H,6H2,1-5H3,(H,13,14)/t7-/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$SPLASH: splash10-03di-3910000000-e5be848020c663a15045 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 41 5.9 59 43 12.8 128 56 20.5 205 57 4.2 42 58 13.2 132 59 8.2 82 65 2.7 27 75 0.17 2 83 6.5 65 84 3.1 31 89 7.9 79 99 0.65 7 102 2.3 23 105 2.7 27 114 2.5 25 115 1.38 14 116 11.9 119 119 2.1 21 128 1.7 17 129 0.25 3 146 13.6 136 148 5 50 149 1.9 19 159 0.52 5 160 59.1 591 161 99.99 999 162 2.3 23 188 0.17 2 190 19.3 193 205 5.4 54 216 3.3 33 217 2.5 25 246 31.8 318 261 2.9 29 //