| SpectraBase Spectrum ID |
5tCAqNag8AW |
| Name |
Milnaciprane-M (HOOC-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-230.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C13H13NO2/c1-2-14-9-13(8-11(13)12(15)16)10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3/p+1 |
| InChIKey |
VHKIOBLOKMDDBN-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1C([C+]=NCC)(C2=CC=CC=C2)C1)=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 |
ms3 |
| Technique |
ITMS |
