MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002462

(4R)-2-OXO-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002462
RECORD_TITLE: (4R)-2-OXO-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

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CH$NAME: (4R)-2-OXO-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₅NO₃S
CH$EXACT_MASS: 146.99901
CH$SMILES: OC(=O)C([H])(C1)NC(=O)S1
CH$IUPAC: InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
CH$LINK: INCHIKEY BMLMGCPTLHPWPY-REOHCLBHSA-N

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0udi-1900000000-e5d38c37a5f7e1313f65
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  43 3.2 32
  46 2.8 28
  55 2.5 25
  57 0.19 2
  60 4 40
  72 4.6 46
  73 8.5 85
  74 0.58 6
  75 2.7 27
  84 2.5 25
  86 4.8 48
  87 0.64 6
  101 13.9 139
  102 99.99 999
  103 24.7 247
  104 1.39 14
  110 1.7 17
  113 2 20
  145 1.9 19
  147 6.02 60
  148 8 80
  149 7.4 74
//