| SpectraBase Spectrum ID |
8KieVd5e7Kr |
| Name |
2C-P-M (oxo-HO-N-acetyl-) isomer 2 MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-230.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C13H15O3/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h1,5,7-8H,6H2,2-4H3/q+1 |
| InChIKey |
CUCLHEAHGXDHAX-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[CH+]=CC=1C(=CC(=C(C1)OC)CC(C)=O)OC |
| 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 |
