| SpectraBase Spectrum ID |
LiH0gmWKRWS |
| Name |
BDMPEA-M (O-demethyl-N-acetyl-sulfate-N-oxide) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [ |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C11H14BrNO3/c1-7(14)13-4-3-8-5-10(15)9(12)6-11(8)16-2/h5-6,15H,3-4H2,1-2H3,(H,13,14) |
| InChIKey |
JBCQRUVQTXKYBU-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(C=C(C(CCNC(C)=O)=C1)OC)Br |
| 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 |
ms3 |
| Technique |
ITMS |
