| SpectraBase Compound ID | IRmG0ADtQoN |
|---|---|
| InChI | InChI=1S/4C14H13BrN2O/c15-12-4-1-10(2-5-12)13(7-8-16)11-3-6-14(18)17-9-11;15-11-3-1-10(2-4-11)12(5-7-16)13-9-17-8-6-14(13)18;15-12-3-1-10(2-4-12)14(5-6-16)11-7-13(18)9-17-8-11;15-11-5-3-10(4-6-11)12(7-8-16)13-2-1-9-17-14(13)18/h1-7,9H,8,16H2,(H,17,18);1-6,8-9H,7,16H2,(H,17,18);1-5,7-9,18H,6,16H2;1-7,9H,8,16H2,(H,17,18)/b13-7-;12-5-;14-5-;12-7- |
| InChIKey | FPYRTZICLMFOGL-FOIMVFCFSA-N |
| Mol Weight | 305.17 g/mol |
| Molecular Formula | C14H13BrN2O |
| Exact Mass | 304.021126 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | GOQFYuwhOJU |
|---|---|
| Name | Zimelidine-M (bis-nor-HO-) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 305.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C14H13BrN2O |
| 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 | ms2 |
| Technique | ITMS |