| 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 | Gj8ZW7b0RzC |
|---|---|
| Name | Cafedrine-M (HO-ring) |
| Collision Gas | N2 |
| Comments | FTMS + p ESI d Full ms2 [email protected] [50.00-400.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C18H23N5O4 |
| Inlet Type | UHPLC |
| Instrument Name | Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity | P |
| Ionization Type | HESI |
| Precursor Ion | [M+H]+ |
| Sample Comments | The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge | 1 |
| Source of Spectrum | Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type | ms2 |
| Technique | HCD |