ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005583
RECORD_TITLE: 3-BENZOYL-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$NAME: 3-BENZOYL-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H7FN2O3
CH$EXACT_MASS: 234.04407
CH$SMILES: FC(=C2)C(=O)N(C(=O)N2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H7FN2O3/c12-8-6-13-11(17)14(10(8)16)9(15)7-4-2-1-3-5-7/h1-6H,(H,13,17)
CH$LINK: INCHIKEY OAPBZIITNDJWQW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80507022
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$SPLASH: splash10-0a4i-3930000000-4cc8cc05feb1d157e36d
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  50 5 50
  51 13 130
  58 3 30
  60 0.01 0
  70 2 20
  75 3 30
  76 4 40
  77 0.42 4
  78 6 60
  87 2 20
  105 99.99 999
  106 0.14 1
  130 3 30
  164 8 80
  206 18 180
  207 0.03 0
  234 25 250
  235 5 50
//
