| SpectraBase Compound ID | A0l38iU06nl |
|---|---|
| InChI | InChI=1S/3C14H21N3O3S/c1-15-21(19,20)9-10-6-12-11(4-5-17(2)3)8-16-14(12)13(18)7-10;1-15-21(19,20)9-11-6-12-10(4-5-17(2)3)8-16-13(12)7-14(11)18;1-15-21(19,20)9-11-4-5-12-13(14(11)18)10(8-16-12)6-7-17(2)3/h2*6-8,15-16,18H,4-5,9H2,1-3H3;4-5,8,15-16,18H,6-7,9H2,1-3H3 |
| InChIKey | HADGUWNVOAHRBG-UHFFFAOYSA-N |
| Mol Weight | 311.4 g/mol |
| Molecular Formula | C14H21N3O3S |
| Exact Mass | 311.130363 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | KwlfwPCIdUo |
|---|---|
| Name | Sumatriptan-M (HO-) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 312.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C14H21N3O3S |
| 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 |