ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005587
RECORD_TITLE: 1-BENZYL-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$NAME: 1-BENZYL-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H9FN2O2
CH$EXACT_MASS: 220.06481
CH$SMILES: O=C(N1)C(F)=C([H])N(Cc(c2)cccc2)C(=O)1
CH$IUPAC: InChI=1S/C11H9FN2O2/c12-9-7-14(11(16)13-10(9)15)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15,16)
CH$LINK: INCHIKEY DOLBESUBPIZBQY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30876679
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$SPLASH: splash10-0006-9030000000-f0b74e143e00745572ac
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  39 5 50
  41 3 30
  50 2 20
  51 0.05 1
  52 3 30
  63 4 40
  65 15 150
  77 0.03 0
  89 5 50
  90 4 40
  91 99.99 999
  92 0.14 1
  101 2 20
  110 3 30
  128 2 20
  130 0.02 0
  148 4 40
  149 2 20
  176 2 20
  177 0.01 0
  220 45 450
  221 9 90
//
