ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005592
RECORD_TITLE: 3-METHOXYCARBONYLMETHYL-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$NAME: 3-METHOXYCARBONYLMETHYL-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7FN2O4
CH$EXACT_MASS: 202.03898
CH$SMILES: COC(=O)CN(C(=O)1)C(=O)C(F)=CN1
CH$IUPAC: InChI=1S/C7H7FN2O4/c1-14-5(11)3-10-6(12)4(8)2-9-7(10)13/h2H,3H2,1H3,(H,9,13)
CH$LINK: INCHIKEY FAFLWPCJUOMVBL-UHFFFAOYSA-N
AC$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: splash10-0w29-3930000000-d9efe8bc32819d36d5eb
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 8 80
  31 7 70
  33 4 40
  56 0.2 2
  58 14 140
  59 17 170
  60 14 140
  86 0.06 1
  87 25 250
  88 7 70
  100 23 230
  114 99.99 999
  115 13 130
  116 3 30
  128 29 290
  129 0.1 1
  130 6 60
  131 2 20
  142 5 50
  143 0.86 9
  144 12 120
  157 2 20
  158 7 70
  170 0.37 4
  171 32 320
  172 2 20
  202 93 930
  203 0.17 2
  204 4 40
//
