| SpectraBase Compound ID | CXGhcrUoO0U |
|---|---|
| InChI | InChI=1S/C17H19NO4/c1-11(8-12-2-4-13(5-3-12)17(21)22)18-10-14-6-7-15(19)9-16(14)20/h2-7,9,11,18-20H,8,10H2,1H3,(H,21,22)/p+1 |
| InChIKey | ZCDISIUHFBRLIW-UHFFFAOYSA-O |
| Mol Weight | 302.35 g/mol |
| Molecular Formula | C17H20NO4 |
| Exact Mass | 302.139233 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | A9Nn13BK52 |
|---|---|
| Name | 4-EA-NBOMe-M (O-demethyl-benzoic acid-HO-sulfate) MS3_1 |
| Comments | T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-315.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C17H20NO4 |
| Ion Polarity | P |
| Ionization Type | ESI |
| 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 | ms3 |
| Technique | ITMS |