| SpectraBase Spectrum ID |
7pCWIBENVY |
| Name |
2,3-MMBDB-M (N-oxide) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 238.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H20NO3 |
| InChI |
InChI=1S/C13H20NO3/c1-4-11(14(2,3)15)8-10-6-5-7-12-13(10)17-9-16-12/h5-7,11,15H,4,8-9H2,1-3H3/q+1 |
| InChIKey |
RGPGRBLZKCWBGQ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
O[N+](C(CC1=C2OCOC2=CC=C1)CC)(C)C |
| 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 |
