ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY OCQICQZUUHJWGZ-BYPYZUCNSA-N
CH$LINK: COMPTOX DTXSID60350290

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
//