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Predicted LC-MS/MS Spectrum - 20V, Negative (HMDB0127976)
Spectrum Details
HMDB ID: | HMDB0127976 |
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Compound name: | 2-amino-4-[(2-{[2-carboxy-2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)ethyl]sulfanyl}-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl)-C-hydroxycarbonimidoyl]butanoic acid |
Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Negative |
Splash Key: | splash10-00mo-0892600000-a3d118223dde532f847a |
Notes: | This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
Ionization Mode: | Negative |
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Collision Energy: | 20 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C20H27N3O11S |
Molecular Weight (Monoisotopic Mass): | 517.1366 Da |
Documentation
Document Description | Download | |
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List of m/z values for the spectrum (TXT) | Download file | 747 Bytes |
mzML formatted file (MZML) | Download file | 4.55 KB |
References
Not Available