ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005599
RECORD_TITLE: 3-(P-TOLUENESULFONYLAMINO)-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$NAME: 3-(P-TOLUENESULFONYLAMINO)-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10FN3O4S
CH$EXACT_MASS: 299.03760
CH$SMILES: Cc(c2)ccc(c2)S(=O)(=O)NN(C(=O)1)C(=O)C(F)=CN1
CH$IUPAC: InChI=1S/C11H10FN3O4S/c1-7-2-4-8(5-3-7)20(18,19)14-15-10(16)9(12)6-13-11(15)17/h2-6,14H,1H3,(H,13,17)
CH$LINK: INCHIKEY GKHMDORIVFCELX-UHFFFAOYSA-N
AC$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: splash10-0a4l-8910000000-25c53bd6152ba0c11e4b
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  39 10 100
  41 4 40
  44 9 90
  45 0.12 1
  63 7 70
  65 22 220
  77 5 50
  78 0.02 0
  79 4 40
  87 4 40
  89 9 90
  90 0.06 1
  91 82 820
  92 20 200
  101 30 300
  102 0.03 0
  105 2 20
  106 3 30
  107 6 60
  108 0.04 0
  130 8 80
  131 1 10
  139 9 90
  144 0.26 3
  145 2 20
  155 99.99 999
  156 16 160
  157 0.11 1
  171 11 110
  172 1 10
  299 40 400
  300 0.09 1
  301 3 30
//
