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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005617

1-(3,4-DEHYDROTETRAHYDRO-2-FURANYL)-5-FLUOROURACIL; CI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005617
RECORD_TITLE: 1-(3,4-DEHYDROTETRAHYDRO-2-FURANYL)-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

CH$NAME: 1-(3,4-DEHYDROTETRAHYDRO-2-FURANYL)-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7FN2O3
CH$EXACT_MASS: 198.04407
CH$SMILES: [H]C(C2)=C([H])C(O2)N(C(=O)1)C([H])=C(F)C(=O)N1
CH$IUPAC: InChI=1S/C8H7FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h1-2,4,6H,3H2,(H,10,12,13)
CH$LINK: INCHIKEY ULBMICPCMSSWMR-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 AMMONIA

PK$SPLASH: splash10-014i-0090000000-537a06a0ca8c3166769b
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  148 7 70
  216 99.99 999
  217 16 160
  218 0.02 0
  234 5 50
//

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