MassBank Record: JP002464



 (4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002464
RECORD_TITLE: (4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-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$NAME: (4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H11NO2S CH$EXACT_MASS: 161.05105 CH$SMILES: OC(=O)C([H])(C1)NC(C)(C)S1 CH$IUPAC: InChI=1S/C6H11NO2S/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/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$SPLASH: splash10-03xr-6900000000-7953ef2129ed342911ca PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 42 3.8 38 43 7.5 75 57 4.8 48 58 4.62 46 59 13.1 131 68 30 300 69 16.9 169 72 0.4 4 74 3.4 34 75 2.1 21 82 3.3 33 83 8.69 87 84 15.4 154 86 1.7 17 89 6.4 64 96 0.2 2 97 4 40 99 7.8 78 100 4.5 45 105 0.58 6 109 5.5 55 110 3.1 31 111 1.7 17 112 1.08 11 113 2.4 24 114 14.6 146 115 26.9 269 116 1.54 15 122 1.7 17 127 5.1 51 128 8.5 85 146 3.23 32 148 2.3 23 159 3 30 161 99.99 999 162 0.37 4 163 3.3 33 //