Predicted GC-MS Spectrum - Isophthalamide, N,N'-bis(2,3-dihydroxypropyl)-5-(N-(2-hydroxyethyl)acetamido)-2,4,6-triiodo- GC-MS (TMS_1_3) - 70eV, Positive (HMDB0249499)
Spectrum Details
HMDB ID: | HMDB0249499 |
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Compound Name: | Isophthalamide, N,N'-bis(2,3-dihydroxypropyl)-5-(N-(2-hydroxyethyl)acetamido)-2,4,6-triiodo- |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | CC(=O)N(CCO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO[Si](C)(C)C)=C1I |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - Isophthalamide, N,N'-bis(2,3-dihydroxypropyl)-5-(N-(2-hydroxyethyl)acetamido)-2,4,6-triiodo- GC-MS (TMS_1_3) - 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: | C18H24I3N3O8 |
Molecular Weight (Monoisotopic Mass): | 790.8698 Da |
Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)N(CCO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO[Si](C)(C)C)=C1I)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 748 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available