| SpectraBase Compound ID | 7WX0TFZjNNQ |
|---|---|
| InChI | InChI=1S/3C16H18NO2/c18-11-13-10-17(15-7-3-2-6-14(13)15)9-12-5-1-4-8-16(12)19;18-11-13-10-17(16-7-2-1-6-15(13)16)9-12-4-3-5-14(19)8-12;18-11-13-10-17(16-4-2-1-3-15(13)16)9-12-5-7-14(19)8-6-12/h2-3,6-7,10,12,16,19H,1,4-5,8-9H2;1-2,6-7,10,12,14,19H,3-5,8-9H2;1-4,10,12,14,19H,5-9H2/q3*+1 |
| InChIKey | WFETWZYKXUWKLV-UHFFFAOYSA-N |
| Mol Weight | 256.32 g/mol |
| Molecular Formula | C16H18NO2 |
| Exact Mass | 256.133754 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 1nQ4CTGQBUP |
|---|---|
| Name | ADB-CHMICA-M (HOOC-HO-) MS3_1 |
| Comments | T: 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 | C16H18NO2 |
| 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 |