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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-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)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY MYZNHPUWNUGYOV-ZETCQYMHSA-N

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
//

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