ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005579
RECORD_TITLE: 3-METHYL-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$NAME: 3-METHYL-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H5FN2O2
CH$EXACT_MASS: 144.03351
CH$SMILES: O=C(N1)N(C)C(=O)C(F)=C1
CH$IUPAC: InChI=1S/C5H5FN2O2/c1-8-4(9)3(6)2-7-5(8)10/h2H,1H3,(H,7,10)
CH$LINK: INCHIKEY BGXNFCXYRIAWDO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40317467
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$SPLASH: splash10-000f-9800000000-9b856b99ccdf04e02169
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  28 22 220
  31 11 110
  56 7 70
  58 0.21 2
  59 12 120
  60 36 360
  87 69 690
  88 0.14 1
  102 5 50
  114 12 120
  115 9 90
  116 0.11 1
  144 99.99 999
  145 16 160
//
