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Spectrum Details
HMDB ID:HMDB0060401
Compound Name:5,10-Methylenetetrahydromethanopterin
Derivative IUPAC Name:Not Available
Derivative SMILES:C[C@@H]1NC2=C(C(O)=NC(=N)[NH]2)N2CN(C3=CC=C(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[C@H]4O[C@H](COP(=O)(O)O[C@@H](CCC(=O)O)C(=O)O)[C@@H](O)[C@H]4O)C=C3)[C@H](C)[C@@H]12
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 5,10-Methylenetetrahydromethanopterin GC-MS (TMS_1_2) - 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:C31H45N6O16P
Molecular Weight (Monoisotopic Mass):788.263 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@@H]1NC2=C(C(O)=NC(=N)[NH]2)N2CN(C3=CC=C(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[C@H]4O[C@H](COP(=O)(O)O[C@@H](CCC(=O)O)C(=O)O)[C@@H](O)[C@H]4O)C=C3)[C@H](C)[C@@H]12)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file746 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available