Predicted GC-MS Spectrum - 1H-Indene-2-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-3-(2-(carboxymethoxy)-4-methoxyphenyl)-2,3-dihydro-5-propoxy-, (1S,2R,3S)- GC-MS (TBDMS_1_2) - 70eV, Positive (HMDB0257520)
Spectrum Details
| HMDB ID: | HMDB0257520 |
|---|---|
| Compound Name: | 1H-Indene-2-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-3-(2-(carboxymethoxy)-4-methoxyphenyl)-2,3-dihydro-5-propoxy-, (1S,2R,3S)- |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCCOC1=CC=C2C(=C1)C(C1=CC=C(OC)C=C1OCC(=O)O)C(C(=O)O[Si](C)(C)C(C)(C)C)C2C1=CC=C2OCOC2=C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 1H-Indene-2-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-3-(2-(carboxymethoxy)-4-methoxyphenyl)-2,3-dihydro-5-propoxy-, (1S,2R,3S)- 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: | C29H28O9 |
| Molecular Weight (Monoisotopic Mass): | 520.1733 Da |
| Derivative Type: | TBDMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCOC1=CC=C2C(=C1)C(C1=CC=C(OC)C=C1OCC(=O)O)C(C(=O)O[Si](C)(C)C(C)(C)C)C2C1=CC=C2OCOC2=C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 755 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available