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ISOMATCH-web For automatic matching of isotope peak distributions

ISOMATCH-web For automatic matching of isotope peak distributions. Automatic matching of a raw spectrum (ASCII format) to theoretical isotopic distributions Output and visualization (with “ISOMATCH viewer”) of theoretical masses and isotopic distributions

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ISOMATCH-web For automatic matching of isotope peak distributions

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  1. ISOMATCH-web For automatic matching of isotope peak distributions • Automatic matching of a raw spectrum (ASCII format) to theoretical isotopic distributions • Output and visualization (with “ISOMATCH viewer”) of theoretical masses and isotopic distributions • Output of theoretical peptide mass fingerprints of proteins • Registration of isotope relative abundances and compounds (Starting menu)

  2. Application 1. Calculation of a complex isotopic envelop of a mixture Input 1. Protein A30 C12 D14 E22 F20 G6 H7 I3 K22 L26 M3 N7 P9 Q9 R16 S11 T10 V13 W2 Y8 2. Modification: M(O), Na 3.Charge state:+17 4.Resolution:50,000 ↓ Result J. Fernández-de-Cossio et al. Nucleic Acids Res., 32, 674-678 (2004)

  3. Application 2. Monoisotopic mass of heme C-bound peptide Heme C

  4. Application 3. Isotopic distribution of 13C-enriched peptide CSQCHTVEK →molecular formula：C40H67N13O15S2 Monoisotopic peak :1034.43 enriched with 13C (90, 94, 96 atom %) 90 atom% 94 atom% 96 atom%

  5. Application 4. Quantitative analysis with stable-isotope (18O) labeling Protein pool (light) Proteolytic digestion in H2O Mix Mixed peptide Proteolytic digestion inH218O MS Protein pool (heavy) Sequence: LVNEVTEFAK Resolution:17,000 Modifications:18O1-2 ISOMATCH-web 16O2:50.0% 18O2:30.13% 16O18O:19.87% J. Fernández-de-Cossio et al., RCM 18, 2465-2472 (2004).

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