| SpectraBase Spectrum ID |
JmfBgJgZHVd |
| Name |
3-MF-M (N-oxide) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 367.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C23H31N2O2 |
| InChI |
InChI=1S/C23H31N2O2/c1-3-23(26)25(27,21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22,27H,3,14-18H2,1-2H3/q+1 |
| InChIKey |
DIARRCAVIULLOX-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
O[N+](C1=CC=CC=C1)(C(CC)=O)C1CCN(CC1C)CCC1=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
