| SpectraBase Spectrum ID |
9OFejTLbnQF |
| Name |
Methylphenidate-M (6-oxo-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 248.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H17NO3 |
| InChI |
InChI=1S/C14H17NO3/c1-18-14(17)13(10-6-3-2-4-7-10)11-8-5-9-12(16)15-11/h2-4,6-7,11,13H,5,8-9H2,1H3,(H,15,16) |
| InChIKey |
JZKMBVWUJRPNND-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(CCCC1=O)C(C(OC)=O)C1=CC=CC=C1 |
| 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 |
ms2 |
| Technique |
ITMS |
