| SpectraBase Compound ID | 6166sq2058v |
|---|---|
| InChI | InChI=1S/4C15H15NO3/c17-10-12-9-16(8-11-3-5-19-6-4-11)15-2-1-13(18)7-14(12)15;17-10-12-9-16(8-11-3-5-19-6-4-11)15-7-13(18)1-2-14(12)15;17-10-12-9-16(8-11-4-6-19-7-5-11)13-2-1-3-14(18)15(12)13;17-10-12-9-16(8-11-4-6-19-7-5-11)15-13(12)2-1-3-14(15)18/h2*1-2,7,9,11H,3-6,8H2;2*1-3,9,11H,4-8H2/p+4 |
| InChIKey | MKNZMBAETVHDSJ-UHFFFAOYSA-R |
| Mol Weight | 258.3 g/mol |
| Molecular Formula | C15H16NO3 |
| Exact Mass | 258.113018 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | AQ57wDNis9U |
|---|---|
| Name | A-834.735-M (HO-) isomer 1 MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-270.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C15H16NO3 |
| 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 |