ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005582
RECORD_TITLE: 1-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$NAME: 1-BENZOYL-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H7FN2O3
CH$EXACT_MASS: 234.04407
CH$SMILES: O=C(N2)C(F)=C([H])N(C(=O)2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H7FN2O3/c12-8-6-14(11(17)13-9(8)15)10(16)7-4-2-1-3-5-7/h1-6H,(H,13,15,17)
CH$LINK: INCHIKEY RQNLYAYTZCUHLO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20541006
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$SPLASH: splash10-0a4i-4900000000-deb45b541ce5d713c064
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  50 9 90
  51 20 200
  60 5 50
  62 0.03 0
  74 3 30
  75 2 20
  76 4 40
  77 0.46 5
  78 8 80
  87 3 30
  105 99.99 999
  106 0.17 2
  107 2 20
  130 5 50
  163 0.4 4
  191 0.04 0
  234 5 50
  235 2 20
//
