| SpectraBase Spectrum ID |
1rsSbcyJk7N |
| Name |
Methylphenidate-M (6-oxo-ritalinic acid) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-200.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C12H13NO/c14-12-8-4-7-11(13-12)9-10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2/p+1 |
| InChIKey |
NXXDNSUIOKVJIH-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(CCCC1[CH+]C1=CC=CC=C1)=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
