| SpectraBase Compound ID | Lm4iyISUaXr |
|---|---|
| InChI | InChI=1S/C16H18NO.CH4O2/c18-12-14-11-17(10-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16;2-1-3/h4-5,8-9,11,13H,1-3,6-7,10H2;2-3H,1H2/q+1; |
| InChIKey | IKNINXXPOSHEQF-UHFFFAOYSA-N |
| Mol Weight | 288.37 g/mol |
| Molecular Formula | C17H22NO3 |
| Exact Mass | 288.159969 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | BQIDflc9KCG |
|---|---|
| Name | BB-22-M (di-HO-) isomer 1 MS3_1 |
| Comments | T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-285.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C16H18NO3 |
| 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 |