| SpectraBase Spectrum ID |
4WrcuAv20HT |
| Name |
Sulpiride MS2 |
| CAS Registry Number |
15676-16-1 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [80.00-355.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C15H23N3O4S |
| InChI |
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) |
| InChIKey |
BGRJTUBHPOOWDU-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NS(C=1C=C(C(=O)NCC2CCCN2CC)C(=CC1)OC)(=O)=O |
| 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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |