MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005568

5-FLUOROURACIL; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005568
RECORD_TITLE: 5-FLUOROURACIL; 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$NAME: 5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₃FN₂O₂
CH$EXACT_MASS: 130.01786
CH$SMILES: O=C(N1)NC(=O)C(F)=C1
CH$IUPAC: InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
CH$LINK: INCHIKEY GHASVSINZRGABV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020634

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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 AMMONIA

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PK$SPLASH: splash10-0002-0900000000-7521695ae4a96b4a5a98
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  130 8 80
  148 99.99 999
  149 8 80
//