ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005593
RECORD_TITLE: 3-BUTYRYLAMINO-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$NAME: 3-BUTYRYLAMINO-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10FN3O3
CH$EXACT_MASS: 215.07062
CH$SMILES: CCCC(=O)NN(C(=O)1)C(=O)C(F)=CN1
CH$IUPAC: InChI=1S/C8H10FN3O3/c1-2-3-6(13)11-12-7(14)5(9)4-10-8(12)15/h4H,2-3H2,1H3,(H,10,15)(H,11,13)
CH$LINK: INCHIKEY SAVBTPSHCMNKFU-UHFFFAOYSA-N
AC$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: splash10-00dl-9110000000-6defc2af30a46b0d1866
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  39 9 90
  40 1 10
  41 20 200
  42 0.08 1
  43 60 600
  44 10 100
  45 9 90
  55 0.1 1
  58 10 100
  70 4 40
  71 99.99 999
  72 0.12 1
  73 3 30
  74 8 80
  87 1 10
  88 0.02 0
  101 3 30
  102 18 180
  103 1 10
  130 0.02 0
  145 15 150
  146 7 70
  215 24 240
  216 8 80
//
