| SpectraBase Spectrum ID |
CJd7MEdT7NW |
| Name |
alpha-POP-M (di-oxo-) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [70.00-315.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H23NO3 |
| InChI |
InChI=1S/C18H23NO3/c1-2-7-15(20)11-12-16(19-13-6-10-17(19)21)18(22)14-8-4-3-5-9-14/h3-5,8-9,16H,2,6-7,10-13H2,1H3 |
| InChIKey |
XFZOGDFWYMZMGE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C=1(C=CC=CC1)C(C(N1CCCC1=O)CCC(CCC)=O)=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 |
