| SpectraBase Compound ID | C8PXUaBChRz |
|---|---|
| InChI | InChI=1S/C32H39NO5/c1-31(2,30(36)37)27-16-15-23(22-29(27)35)28(34)14-9-19-33-20-17-26(18-21-33)32(38,24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-8,10-13,15-16,22,26,28,34-35,38H,9,14,17-21H2,1-2H3,(H,36,37) |
| InChIKey | DGMCNJYGZGPBRP-UHFFFAOYSA-N |
| Mol Weight | 517.7 g/mol |
| Molecular Formula | C32H39NO5 |
| Exact Mass | 517.282823 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | JSCiQK5DdsZ |
|---|---|
| Name | Fexofenadine-M (HO-) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 518.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C32H39NO5 |
| InChI | InChI=1S/C32H39NO5/c1-31(2,30(36)37)27-16-15-23(22-29(27)35)28(34)14-9-19-33-20-17-26(18-21-33)32(38,24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-8,10-13,15-16,22,26,28,34-35,38H,9,14,17-21H2,1-2H3,(H,36,37) |
| InChIKey | DGMCNJYGZGPBRP-UHFFFAOYSA-N |
| Ion Polarity | P |
| Ionization Type | ESI |
| SMILES | OC(C1=CC=C(C(C(=O)O)(C)C)C(=C1)O)CCCN1CCC(C(C=2C=CC=CC2)(C=2C=CC=CC2)O)CC1 |
| Sample Comments | The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description | Analyte Type: Metabolite |
| Source of Spectrum | Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type | ms2 |
| Technique | ITMS |