Predicted GC-MS Spectrum - Bismahanine GC-MS (TBDMS_1_2) - 70eV, Positive (HMDB0040773)
Spectrum Details
| HMDB ID: | HMDB0040773 |
|---|---|
| Compound Name: | Bismahanine |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)=CCCC1(C)C=CC2=C(O1)C(C)=CC1=C2[NH]C2=CC(O)=C(C3=C(O[Si](C)(C)C(C)(C)C)C=CC4=C3[NH]C3=C5C=CC(C)(CCC=C(C)C)OC5=C(C)C=C34)C=C21 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Bismahanine GC-MS (TBDMS_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: | C46H48N2O4 |
| Molecular Weight (Monoisotopic Mass): | 692.3614 Da |
| Derivative Type: | TBDMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)=CCCC1(C)C=CC2=C(O1)C(C)=CC1=C2[NH]C2=CC(O)=C(C3=C(O[Si](C)(C)C(C)(C)C)C=CC4=C3[NH]C3=C5C=CC(C)(CCC=C(C)C)OC5=C(C)C=C34)C=C21)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 742 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available