MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005614
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005614
RECORD_TITLE: 1-(4,5-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$NAME: 1-(4,5-DEHYDROTETRAHYDRO-2-FURANYL)-5-FLUOROURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7FN2O3
CH$EXACT_MASS: 198.04407
CH$SMILES: [H]C(=C([H])2)CC(O2)N(C(=O)1)C([H])=C(F)C(=O)N1
CH$IUPAC: InChI=1S/C8H7FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h1,3-4,6H,2H2,(H,10,12,13)
CH$LINK: INCHIKEY
PDLPZZHYCMXDCF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60276289
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$SPLASH: splash10-014i-0090000000-8950dd0e8399bc6b3371
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
199 3 30
216 99.99 999
217 9 90
218 0.01 0
234 4 40
//