msTide

Name to look for: (eg ATPF)

Search m/z: (eg 79)

Search with multiple m/z: (eg 79,134,175,273)

Filter by substructure: (eg NC1=NC2=C(N=CN2)C(=O)N1)

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Show MS/MS spectra of most similar compounds in database:

Your structure (smiles) (eg [BH3-]P(=O)(OC[C@H]1O[C@@H](n2c[n+](C)c3c2nc([NH-])[nH]c3=O)C(O)[C@H]1O)OP(=O)(O)O)

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Try to guess fragments based on structure and MS/MS spectra

Parent ion (smiles) (eg [BH3-]P(=O)(OC[C@H]1O[C@@H](n2c[n+](C)c3c2nc([NH-])[nH]c3=O)C(O)[C@H]1O)OP(=O)(O)O)

M/z of fragments (eg 63,77,79,81,93,97,107,143,145,147,149,157,164,165)

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