Predicted GC-MS Spectrum - Janthitrem B GC-MS (TBDMS_2_1) - 70eV, Positive (HMDB0030528)
Spectrum Details
HMDB ID: | HMDB0030528 |
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Compound Name: | Janthitrem B |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | C=C(C)C1OC2CCC3(C)C(O[Si](C)(C)C(C)(C)C)(CCC4CC5=C([NH]C6=CC7=C(C=C56)C(O[Si](C)(C)C(C)(C)C)C5C7=CC(C)(C)OC5(C)C)C43C)C2=CC1O |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - Janthitrem B GC-MS (TBDMS_2_1) - 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: | C37H47NO5 |
Molecular Weight (Monoisotopic Mass): | 585.3454 Da |
Derivative Type: | TBDMS_2_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C(C)C1OC2CCC3(C)C(O[Si](C)(C)C(C)(C)C)(CCC4CC5=C([NH]C6=CC7=C(C=C56)C(O[Si](C)(C)C(C)(C)C)C5C7=CC(C)(C)OC5(C)C)C43C)C2=CC1O)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 747 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available