| SpectraBase Spectrum ID |
99NIHfCX1k |
| Name |
2C-P-M (oxo-HO-N-acetyl-) isomer 1 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 296.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C15H21NO5 |
| InChI |
InChI=1S/C15H21NO5/c1-9(17)5-11-6-15(21-4)12(7-14(11)20-3)13(19)8-16-10(2)18/h6-7,13,19H,5,8H2,1-4H3,(H,16,18) |
| InChIKey |
MHISFPNQCQUHOU-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(=O)C)CC(C=1C(=CC(=C(C1)OC)CC(C)=O)OC)O |
| 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 |
