ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011928
RECORD_TITLE: 2,4-THIAZOLIDINEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2,4-THIAZOLIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₃NO₂S
CH$EXACT_MASS: 116.98845
CH$SMILES: O=C(C1)NC(=O)S1
CH$IUPAC: InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
CH$LINK: CAS 2295-31-0
CH$LINK: INCHIKEY ZOBPZXTWZATXDG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5040623

AC$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9200000000-f5f3bbe3b05d2cd8d44b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  12 1.11 11
  13 2.24 22
  14 6.82 68
  15 1.11 11
  17 1.2 12
  18 5.52 55
  27 2.55 26
  28 7.65 77
  29 4.45 45
  30 1.13 11
  32 6.02 60
  33 1.36 14
  40 1.14 11
  42 11.39 114
  43 9.22 92
  44 4.5 45
  45 24.48 245
  46 99.99 999
  47 3.96 40
  48 4.69 47
  60 1.89 19
  70 1.96 20
  74 42.21 422
  75 1.24 12
  76 1.85 19
  89 2.07 21
  117 53.61 536
  118 2.59 26
  119 2.53 25
//