| SpectraBase Compound ID | I5Le4dlPzyc |
|---|---|
| InChI | InChI=1S/5C18H23N5O4/c1-11(15(25)12-4-6-13(24)7-5-12)19-8-9-23-10-20-16-14(23)17(26)22(3)18(27)21(16)2;2*1-11(15(25)12-5-4-6-13(24)9-12)19-7-8-23-10-20-16-14(23)17(26)22(3)18(27)21(16)2;2*1-11(15(25)12-6-4-5-7-13(12)24)19-8-9-23-10-20-16-14(23)17(26)22(3)18(27)21(16)2/h4-7,10-11,15,19,24-25H,8-9H2,1-3H3;2*4-6,9-11,15,19,24-25H,7-8H2,1-3H3;2*4-7,10-11,15,19,24-25H,8-9H2,1-3H3 |
| InChIKey | PLYWNVLWANSTBN-UHFFFAOYSA-N |
| Mol Weight | 373.41 g/mol |
| Molecular Formula | C18H23N5O4 |
| Exact Mass | 373.175004 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 31sIcZmAb3D |
|---|---|
| Name | Cafedrine-M (HO-ring) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 374.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C18H23N5O4 |
| 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 |