ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005591
RECORD_TITLE: 1-ISOBUTOXYCARBONYL-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$NAME: 1-ISOBUTOXYCARBONYL-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11FN2O4
CH$EXACT_MASS: 230.07029
CH$SMILES: CC(C)COC(=O)N(C(=O)1)C([H])=C(F)C(=O)N1
CH$IUPAC: InChI=1S/C9H11FN2O4/c1-5(2)4-16-9(15)12-3-6(10)7(13)11-8(12)14/h3,5H,4H2,1-2H3,(H,11,13,14)
CH$LINK: INCHIKEY DXDPKLIQOAVOAM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70879487
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$SPLASH: splash10-053r-9500000000-3805bb8ca05d3fe74ef9
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  29 52 520
  30 6 60
  31 14 140
  39 0.18 2
  40 5 50
  41 62 620
  42 8 80
  43 0.13 1
  44 7 70
  55 15 150
  56 30 300
  57 99.99 999
  58 30 300
  59 4 40
  60 8 80
  70 0.06 1
  87 30 300
  88 7 70
  100 2 20
  101 0.04 0
  102 2 20
  113 1 10
  114 41 410
  115 0.02 0
  128 4 40
  130 96 960
  131 80 800
  132 0.09 1
  157 8 80
  171 4 40
  172 3 30
  175 0.03 0
  188 2 20
  215 2 20
  230 13 130
  231 7 70
//
