| SpectraBase Spectrum ID |
3VCcWXn18GS |
| Name |
PCMEA-M (O-demethyl-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H15 |
| InChI |
InChI=1S/C15H12ClN2/c1-18-10-17-15(11-5-3-2-4-6-11)13-9-12(16)7-8-14(13)18/h2-10H,1H3/q+1 |
| InChIKey |
GUAFNQGBNBZAPP-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=C2C(=CC(=C1)Cl)C(=N[CH+]N2C)C=1C=CC=CC1 |
| 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 |
