Predicted GC-MS Spectrum - 5,6,7,8-Tetrahydromethanopterin GC-MS (TMS_1_12) - 70eV, Positive (HMDB0060403)
Spectrum Details
HMDB ID: | HMDB0060403 |
---|---|
Compound Name: | 5,6,7,8-Tetrahydromethanopterin |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | C[C@H]1[C@H]([C@@H](C)NC2=CC=C(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]3O[C@H](COP(=O)(O)O[C@@H](CCC(=O)O)C(=O)O)[C@@H](O)[C@H]3O)C=C2)NC2=C([NH]C(=N)N=C2O)N1[Si](C)(C)C |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - 5,6,7,8-Tetrahydromethanopterin GC-MS (TMS_1_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: | C30H45N6O16P |
Molecular Weight (Monoisotopic Mass): | 776.263 Da |
Derivative Type: | TMS_1_12 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@H]1[C@H]([C@@H](C)NC2=CC=C(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]3O[C@H](COP(=O)(O)O[C@@H](CCC(=O)O)C(=O)O)[C@@H](O)[C@H]3O)C=C2)NC2=C([NH]C(=N)N=C2O)N1[Si](C)(C)C)
Documentation
Document Description | Download | File Size |
---|---|---|
List of m/z values for the spectrum (TXT) | Download file | 753 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available