| SpectraBase Spectrum ID |
F9diQQCUnKA |
| Name |
Clopenthixol-M (HO-) ## |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-445.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H25ClN2O2S |
| InChI |
InChI=1S/C22H25ClN2O2S/c23-16-5-7-21-19(15-16)17(18-3-1-2-4-20(18)28-21)6-8-22(27)25-11-9-24(10-12-25)13-14-26/h1-7,15,22,26-27H,8-14H2/b17-6+ |
| InChIKey |
DDVVVKUITBIOKB-UBKPWBPPSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OCCN1CCN(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 |
