ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005598
RECORD_TITLE: 1-(P-TOLUENESULFONYL)-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$NAME: 1-(P-TOLUENESULFONYL)-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H9FN2O4S
CH$EXACT_MASS: 284.02671
CH$SMILES: Cc(c2)ccc(c2)S(=O)(=O)N(C(=O)1)C([H])=C(F)C(=O)N1
CH$IUPAC: InChI=1S/C11H9FN2O4S/c1-7-2-4-8(5-3-7)19(17,18)14-6-9(12)10(15)13-11(14)16/h2-6H,1H3,(H,13,15,16)
CH$LINK: INCHIKEY PIZNOQYLTZXNRN-UHFFFAOYSA-N
AC$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: splash10-0006-9220000000-c251d78b697fda78d959
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  39 10 100
  41 5 50
  50 3 30
  51 0.05 1
  58 6 60
  63 9 90
  64 3 30
  65 0.3 3
  77 5 50
  87 3 30
  89 10 100
  90 0.06 1
  91 99.99 999
  92 3 30
  107 5 50
  108 0.02 0
  130 3 30
  139 5 50
  148 3 30
  155 0.92 9
  156 14 140
  157 10 100
  176 2 20
  177 0.02 0
  220 27 270
  221 5 50
  284 10 100
  285 2 20
//
