MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005567
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005567
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
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
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$SPLASH: splash10-001i-0900000000-d801d8209e9a5aa4830b
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
131 99.99 999
132 8 80
//