ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005589
RECORD_TITLE: 1-BUTYLCARBAMOYL-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$NAME: 1-BUTYLCARBAMOYL-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12FN3O3
CH$EXACT_MASS: 229.08627
CH$SMILES: CCCCNC(=O)N(C(=O)1)C([H])=C(F)C(=O)N1
CH$IUPAC: InChI=1S/C9H12FN3O3/c1-2-3-4-11-8(15)13-5-6(10)7(14)12-9(13)16/h5H,2-4H2,1H3,(H,11,15)(H,12,14,16)
CH$LINK: INCHIKEY PVSNDBKXSKXPHM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30214294
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$SPLASH: splash10-001i-9600000000-85d5aa9636790b1eaed0
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  28 18 180
  29 15 150
  30 7 70
  31 0.05 1
  39 7 70
  40 2 20
  41 20 200
  42 0.07 1
  43 19 190
  44 7 70
  55 8 80
  56 0.16 2
  57 17 170
  58 8 80
  59 4 40
  60 0.11 1
  70 5 50
  71 2 20
  86 7 70
  87 0.38 4
  98 5 50
  99 1 10
  100 2 20
  114 0.07 1
  130 99.99 999
  131 12 120
  143 2 20
  186 0.02 0
  229 9 90
  230 4 40
//
