| SpectraBase Spectrum ID |
EBsXQX2shEZ |
| Name |
2C-P-M (HOOC-N-acetyl-) 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/c1-10(17)16-7-6-12-9-13(20-2)11(4-5-15(18)19)8-14(12)21-3/h8-9H,4-7H2,1-3H3,(H,16,17)(H,18,19) |
| InChIKey |
QGCXUGVZNWSKOM-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(=O)C)CCC1=CC(=C(CCC(O)=O)C=C1OC)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 |
ms2 |
| Technique |
ITMS |
