| SpectraBase Compound ID | CYr4e7IJliC |
|---|---|
| InChI | InChI=1S/4C16H17NO2/c18-11-13-10-17(9-12-5-2-1-3-6-12)14-7-4-8-15(19)16(13)14;18-11-13-10-17(9-12-5-2-1-3-6-12)16-14(13)7-4-8-15(16)19;18-11-13-10-17(9-12-4-2-1-3-5-12)16-7-6-14(19)8-15(13)16;18-11-13-10-17(9-12-4-2-1-3-5-12)16-8-14(19)6-7-15(13)16/h2*4,7-8,10,12H,1-3,5-6,9H2;2*6-8,10,12H,1-5,9H2/p+4 |
| InChIKey | OPJAQGDFEKGADX-UHFFFAOYSA-R |
| 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 | GsWAuoilEUx |
|---|---|
| Name | BB-22-M (HO-) isomer 2 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 |