ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010409
RECORD_TITLE: 2,4-THIAZOLIDINEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: INCHIKEY ZOBPZXTWZATXDG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5040623

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0avl-9100000000-a54a2ac7c249a408e0b2
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  39 2 20
  40 4.4 44
  41 41.2 412
  42 5.11 51
  43 97.1 971
  44 24.5 245
  45 30.5 305
  46 9.35 94
  47 3.3 33
  48 5.5 55
  53 1.2 12
  54 0.38 4
  55 47.8 478
  56 50.1 501
  57 57.6 576
  58 4.56 46
  59 14.7 147
  60 44 440
  61 2 20
  66 0.1 1
  67 11.7 117
  68 12.8 128
  69 38.5 385
  70 4.07 41
  71 44.2 442
  72 10.3 103
  73 19.8 198
  74 99.99 999
  75 3.3 33
  76 4 40
  77 2.4 24
  78 0.1 1
  79 2.2 22
  80 2.3 23
  81 18.1 181
  82 0.28 3
  83 21.4 214
  84 26.3 263
  85 62.6 626
  86 0.8 8
  87 7.2 72
  88 1.5 15
  89 3.3 33
  91 0.82 8
  92 2.9 29
  93 2.2 22
  94 2.8 28
  95 1.25 13
  96 8.4 84
  97 15.5 155
  98 15.4 154
  99 3.24 32
  100 6.4 64
  101 2.6 26
  102 1.2 12
  103 0.71 7
  104 1.7 17
  105 5.4 54
  106 2.5 25
  107 0.22 2
  108 2.7 27
  109 7.9 79
  110 6.4 64
  111 0.83 8
  112 5.8 58
  113 6.9 69
  114 2.7 27
  115 0.14 1
  117 99.3 993
  118 4.5 45
  119 9.1 91
  120 4 40
//