| SpectraBase Spectrum ID |
AqRJ1jwxF3q |
| Name |
Clopenthixol-M (N-dealky-HO-) ## |
| 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 |
C20H21ClN2O3S |
| InChI |
InChI=1S/C20H21ClN2OS/c21-14-5-7-19-17(13-14)15(16-3-1-2-4-18(16)25-19)6-8-20(24)23-11-9-22-10-12-23/h1-7,13,20,22,24H,8-12H2/b15-6+ |
| InChIKey |
JNBPWNQDFAOWKG-GIDUJCDVSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
N1CCN(C(C\C=C\2C=3C(=CC=C(C3)Cl)SC3=C2C=CC=C3)O)CC1 |
| 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 |
