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ISOMATCH-web: Automated Isotope Peak Distribution Matching Tool

Perform automatic matching of raw spectrum to theoretical isotopic distributions, visualize theoretical masses, and generate peptide mass fingerprints easily with ISOMATCH viewer. Register isotope abundances and compounds effortlessly.

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ISOMATCH-web: Automated Isotope Peak Distribution Matching Tool

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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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