ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005595
RECORD_TITLE: 1-METHANESULFONYL-5-FLUOROURACIL; 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$NAME: 1-METHANESULFONYL-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H5FN2O4S
CH$EXACT_MASS: 207.99541
CH$SMILES: [H]C(=C(F)1)N(C(=O)NC(=O)1)S(C)(=O)=O
CH$IUPAC: InChI=1S/C5H5FN2O4S/c1-13(11,12)8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
CH$LINK: INCHIKEY BLMFZILCTKKUMH-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0560-9620000000-6f04842c9c57901f2201
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  29 13 130
  41 12 120
  42 1 10
  43 0.02 0
  57 2 20
  58 19 190
  59 3 30
  60 0.04 0
  63 12 120
  64 1 10
  70 5 50
  73 0.05 1
  74 5 50
  79 40 400
  80 2 20
  81 0.05 1
  86 7 70
  87 28 280
  88 7 70
  100 0.05 1
  114 10 100
  115 1 10
  130 99.99 999
  131 0.12 1
  143 6 60
  144 5 50
  208 41 410
  209 6 60
//
