| SpectraBase Spectrum ID |
4FIgiJKMQol |
| Name |
Isofentanyl (3-methyl-)-M (carboxylic acid) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 367.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H26N2O3 |
| InChI |
InChI=1S/C22H26N2O3/c1-17-15-23(16-18-8-4-2-5-9-18)13-12-20(17)24(21(25)14-22(26)27)19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3,(H,26,27) |
| InChIKey |
SJFNVNIKCMPFML-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CC(N(C1=CC=CC=C1)C1CCN(CC1C)CC1=CC=CC=C1)=O)=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 |
