| SpectraBase Spectrum ID |
LABah1xrVwe |
| Name |
2C-P-M (oxo-HO-N-acetyl-) isomer 2 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-250.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H18NO3 |
| InChI |
InChI=1S/C13H17NO3/c1-9(15)6-11-8-12(16-2)10(4-5-14)7-13(11)17-3/h4-5,7-8H,6,14H2,1-3H3/p+1/b5-4+ |
| InChIKey |
DLSYMRLSRQASQM-SNAWJCMRSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]\C=C\C=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 |
