| SpectraBase Compound ID | DL52Q2llKTJ |
|---|---|
| InChI | InChI=1S/6C19H22ClN5O3/c20-14-5-3-6-15(11-14)24-13-17(26)22(12-18(24)27)8-4-10-25-19(28)23-9-2-1-7-16(23)21-25;20-14-5-3-6-15(11-14)25-17(26)12-22(13-18(25)27)8-4-10-24-19(28)23-9-2-1-7-16(23)21-24;20-15-5-3-6-16(13-15)22-11-12-23(19(27,28)14-22)8-4-10-25-18(26)24-9-2-1-7-17(24)21-25;20-15-5-3-6-16(13-15)24-12-11-22(14-19(24,27)28)8-4-10-25-18(26)23-9-2-1-7-17(23)21-25;20-14-5-3-6-15(13-14)23-12-11-22(17(26)18(23)27)8-4-10-25-19(28)24-9-2-1-7-16(24)21-25;20-14-5-3-6-15(11-14)22-12-17(26)24(18(27)13-22)9-4-10-25-19(28)23-8-2-1-7-16(23)21-25/h2*1-3,5-7,9,11,17-18,26-27H,4,8,10,12-13H2;2*1-3,5-7,9,13,27-28H,4,8,10-12,14H2;1-3,5-7,9,13,17-18,26-27H,4,8,10-12H2;1-3,5-8,11,17-18,26-27H,4,9-10,12-13H2 |
| InChIKey | RXQQDSGLAHIXIM-UHFFFAOYSA-N |
| Mol Weight | 403.87 g/mol |
| Molecular Formula | C19H22ClN5O3 |
| Exact Mass | 403.141117 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | Bdv6hUwoZQQ |
|---|---|
| Name | Trazodone-M (di-HO- glucuronide) isomer-2 |
| Collision Gas | N2 |
| Comments | FTMS + p ESI d Full ms2 [email protected] [50.00-610.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C25H30ClN5O9 |
| 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 |