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5-Fluorocytosine
SpectraBase Compound ID 1bSp3fcxCqV
InChI InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKey XRECTZIEBJDKEO-UHFFFAOYSA-N
Mol Weight 129.09 g/mol
Molecular Formula C4H4FN3O
Exact Mass 129.03384 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5DZPX7fVSJd
Name Flucytosine
CAS Registry Number 2022-85-7
Collision Energy 25 eV
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Exact Mass 129.033839923 u
Formula C4H4FN3O
InChI InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKey XRECTZIEBJDKEO-UHFFFAOYSA-N
Instrument Name QStar XL, AB Sciex
Ion Polarity P
Ionization Type ESI+
Molecular Weight 129.094 g/mol
Nominal Mass 129 u
Precursor Ion [M+H]+
Precursor m/z 130.041
SMILES N1C(N=CC(=C1N)F)=O
Selected Ion Charge 1
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Spectrum Type ms2
Synonyms 6-amino-5-fluoro-1H-pyrimidin-2-one
Technique Q-TOF
Wiley ID MSforID_+_370.4