| SpectraBase Spectrum ID |
I5TRsuivjJr |
| Name |
Isofentanyl (3-methyl-) artifact (N-oxide dimer) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H29N2O2 |
| InChI |
InChI=1S/C22H29N2O2/c1-3-22(25)23(20-12-8-5-9-13-20)21-14-15-24(26,16-18(21)2)17-19-10-6-4-7-11-19/h4-13,18,21,26H,3,14-17H2,1-2H3/q+1 |
| InChIKey |
OOLKCONAZFQEBF-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
O[N+]1(CC(C(N(C(CC)=O)C2=CC=CC=C2)CC1)C)CC1=CC=CC=C1 |
| 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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
