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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005619

5-FLUOROURIDINE; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005619
RECORD_TITLE: 5-FLUOROURIDINE; CI-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$NAME: 5-FLUOROURIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11FN2O6
CH$EXACT_MASS: 262.06011
CH$SMILES: OCC(O1)C(O)C(O)C1N(C=2)C(=O)NC(=O)C(F)2
CH$IUPAC: InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)
CH$LINK: INCHIKEY FHIDNBAQOFJWCA-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-01q9-0930000000-63fbe973cac17828c47d
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  113 16.9 169
  115 10.1 101
  131 99.99 999
  133 2.23 22
  148 5.8 58
  245 6.7 67
  263 43.2 432
//

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