ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005596
RECORD_TITLE: 1-BUTANESULFONYL-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$NAME: 1-BUTANESULFONYL-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11FN2O4S
CH$EXACT_MASS: 250.04236
CH$SMILES: CCCCS(=O)(=O)N(C(=O)1)C([H])=C(F)C(=O)N1
CH$IUPAC: InChI=1S/C8H11FN2O4S/c1-2-3-4-16(14,15)11-5-6(9)7(12)10-8(11)13/h5H,2-4H2,1H3,(H,10,12,13)
CH$LINK: INCHIKEY IEMSBQFXHABBDB-UHFFFAOYSA-N
AC$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: splash10-001i-9600000000-2debf0faea9a26c87c75
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  29 50 500
  30 3 30
  31 15 150
  38 0.16 2
  39 4 40
  41 48 480
  42 4 40
  43 0.02 0
  44 4 40
  54 1 10
  55 15 150
  56 0.31 3
  57 52 520
  58 22 220
  59 7 70
  60 0.08 1
  65 2 20
  74 2 20
  77 3 30
  84 0.04 0
  85 3 30
  87 42 420
  88 10 100
  100 0.02 0
  105 1 10
  113 3 30
  114 13 130
  115 0.02 0
  121 2 20
  130 99.99 999
  131 66 660
  132 0.09 1
  143 3 30
  144 1 10
  157 7 70
  221 0.01 0
  250 7 70
  251 1 10
//
