| SpectraBase Spectrum ID |
99ecYCJIYK |
| Name |
Milnaciprane-M (HOOC-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 262.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C15H19NO3 |
| InChI |
InChI=1S/C15H19NO3/c1-3-16(4-2)14(19)15(10-12(15)13(17)18)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,17,18) |
| InChIKey |
XGGWVLCLGMDOJE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1C(C2=CC=CC=C2)(C(=O)N(CC)CC)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 |
ms2 |
| Technique |
ITMS |
