| SpectraBase Spectrum ID |
A2ovu1D716D |
| Name |
Nefazodone-M (O-debenzyl-HO-) isomer-2 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-435.00] |
| 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 |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OCCN1C(=NN(CCCN2CCN(C3=CC(=C(C=C3)O)Cl)CC2)C1=O)CC |
| 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 |
