| SpectraBase Spectrum ID |
FOWZezvLKYi |
| Name |
alpha-POP-M (HOOC-) 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 |
C18H25NO3 |
| InChI |
InChI=1S/C18H25NO3/c20-17(21)12-6-2-5-11-16(19-13-7-8-14-19)18(22)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2,(H,20,21) |
| InChIKey |
DZOXZYFHUAWSNN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CCCCCC(C(C=1C=CC=CC1)=O)N1CCCC1)=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 |
