Predicted LC-MS/MS Spectrum - 40V, Positive (HMDB0245844)
Spectrum Details
HMDB ID: | HMDB0245844 |
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Compound name: | 3-Cyanoalanine |
Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Positive |
Splash Key: | splash10-0fr6-9000000000-f4e0d1a95b214a75ce61 |
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: | Positive |
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Collision Energy: | 40 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C4H6N2O2 |
Molecular Weight (Monoisotopic Mass): | 114.0429 Da |
Documentation
Document Description | Download | |
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List of m/z values for the spectrum (TXT) | Download file | 509 Bytes |
Generated list of m/z values for the spectrum (TXT-20190109-20465-ADGJ0O) | Download file | 506 Bytes |
mzML formatted file (MZML) | Download file | 4.36 KB |
References
- Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.