| SpectraBase Spectrum ID |
IKpaQM2Gxw9 |
| Name |
Melperone-M (dihydro-glucuronide) MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-260.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C16H23FN/c1-14-9-12-18(13-10-14)11-3-2-4-15-5-7-16(17)8-6-15/h4-8,14H,2-3,9-13H2,1H3/q+1 |
| InChIKey |
AAYPHHCHEJLVOE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[CH+](C1=CC=C(C=C1)F)CCCN1CCC(CC1)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 |
