Predicted GC-MS Spectrum - GC-MS (TMS_3_12) - 70eV, Positive (CHEM042662)
Spectrum Details
| chemdb ID: | CHEM042662 |
|---|---|
| Compound Name: | 2-({2-[(carboxymethyl)({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]ethyl}({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino)acetic acid |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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 |
|---|---|
| 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: | C22H32N4O14P2 |
| Molecular Weight (Monoisotopic Mass): | 638.139 Da |
| Molecular Weight (Avergae Mass): | 638.46 Da |
| Derivative Type: | TMS_3_12 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN(CCN(CC(=O)O[Si](C)(C)C)CC2=C(COP(=O)(O)O)C=NC(C)=C2O)CC(=O)O)=C1O)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
| mzML formatted file | Download file |
References
Not Available