Predicted LC-MS/MS Spectrum - 40V, Negative (HMDB0250014)
Spectrum Details
HMDB ID: | HMDB0250014 |
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Compound name: | S,S'-(1,4-Phenylene-bis(1,2-ethanediyl))bis-isothiourea |
Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Negative |
Splash Key: | splash10-052f-9000000000-ef41d357ca6c76b261ae |
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: | 40 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C12H18N4S2 |
Molecular Weight (Monoisotopic Mass): | 282.0973 Da |
Documentation
Document Description | Download | |
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List of m/z values for the spectrum (TXT) | Download file | 760 Bytes |
Generated list of m/z values for the spectrum (TXT-20190109-20465-1G1Q497) | Download file | 760 Bytes |
mzML formatted file (MZML) | Download file | 4.56 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.