Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive (MMDBc0015138)
Spectrum Details
MiMe ID: | MMDBc0015138 |
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Compound Name: | Desferriferrichrome |
Derivative IUPAC Name: | N-hydroxy-N-(3-{3,6,12,15-tetrahydroxy-5,8-bis[3-(N-hydroxyacetamido)propyl]-9,18-bis[(trimethylsilyl)oxy]-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl}propyl)acetamide |
Derivative SMILES: | CC(=O)N(O)CCCC1N=C(O[Si](C)(C)C)CN=C(O)CN=C(O)CN=C(O[Si](C)(C)C)C(CCCN(O)C(C)=O)N=C(O)C(CCCN(O)C(C)=O)N=C1O |
Derivative InChIKey: | InChIKey=OMGKDTLBJLXVTB-UHFFFAOYNA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive |
Splash Key: | Not Available |
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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Ionization Energy: | 70 eV |
Chromatography Type: | Gas Chromatography Column (GC) |
Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C27H45N9O12 |
Molecular Weight (Monoisotopic Mass): | 687.3188 Da |
Derivative Type: | TMS_2_12 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document Description | Download | File Size |
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Generated list of m/z values for the spectrum (TSV) | Download file | 764 Bytes |
mzML formatted file (MZML) | Download file | 4.64 KB |
References