Predicted GC-MS Spectrum - 6-Chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylic acid GC-MS (TBDMS_2_1) - 70eV, Positive (HMDB0244646)
Spectrum Details
| HMDB ID: | HMDB0244646 |
|---|---|
| Compound Name: | 6-Chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)OC(=O)C1=C[NH]C2=CC(Cl)=C(C3=CC=C(C4(O[Si](C)(C)C(C)(C)C)CCC4)C=C3)C=C12 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 6-Chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylic acid 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 |
|---|---|
| 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: | C19H16ClNO3 |
| Molecular Weight (Monoisotopic Mass): | 341.0819 Da |
| Derivative Type: | TBDMS_2_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC(=O)C1=C[NH]C2=CC(Cl)=C(C3=CC=C(C4(O[Si](C)(C)C(C)(C)C)CCC4)C=C3)C=C12)
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