| SpectraBase Spectrum ID |
28hfR05qB7z |
| Name |
Nefazodone-M (O-debenzyl-HO-) isomer 1 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 410.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H28ClN5O3 |
| InChI |
InChI=1S/C19H28ClN5O3/c1-2-18-21-25(19(28)24(18)12-13-26)7-3-6-22-8-10-23(11-9-22)15-4-5-17(27)16(20)14-15/h4-5,14,26-27H,2-3,6-13H2,1H3 |
| InChIKey |
PPQOLCZEZZSCRN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCCN1C(=NN(CCCN2CCN(C3=CC(=C(C=C3)O)Cl)CC2)C1=O)CC |
| 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 |
