| SpectraBase Spectrum ID |
3DnxPzeSatI |
| Name |
PCPR-M (di-HO-) isomer 1 MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-170.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C12H13/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-5,7-9H,2,6,10H2/q+1 |
| InChIKey |
WLMNDKQPRRQNNK-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=C[C+](CCC1)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 |
ms3 |
| Technique |
ITMS |
