MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005622

5-FLUORODEOXYURIDINE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005622
RECORD_TITLE: 5-FLUORODEOXYURIDINE; 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

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CH$NAME: 5-FLUORODEOXYURIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁FN₂O₅
CH$EXACT_MASS: 246.06520
CH$SMILES: OCC([H])(O1)C([H])(O)CC([H])1N(C(=O)2)C([H])=C(F)C(=O)N2
CH$IUPAC: InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
CH$LINK: INCHIKEY ODKNJVUHOIMIIZ-RRKCRQDMSA-N
CH$LINK: COMPTOX DTXSID3023057

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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

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PK$SPLASH: splash10-001i-3900000000-44f00976f508bab47f36
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  81 29.2 292
  99 32.8 328
  117 49.6 496
  131 99.99 999
  148 4.4 44
  197 2.9 29
  247 10.9 109
//