| SpectraBase Spectrum ID |
7A06g0mQim |
| Name |
Melperone-M (hydrated-glucuronide) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H24FNO2 |
| InChI |
InChI=1S/C16H24FNO2/c1-13(9-12-19)8-11-18-10-2-3-16(20)14-4-6-15(17)7-5-14/h4-7,13,18-19H,2-3,8-12H2,1H3 |
| InChIKey |
YTFLKGIJCHIJAL-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CCCC(C1=CC=C(C=C1)F)=O)CCC(CCO)C |
| 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 |
