| SpectraBase Spectrum ID |
4TZtcsKDcCT |
| Name |
Bunazosin-M (O-demethyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 360.32 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H25N5O3 |
| InChI |
InChI=1S/C18H25N5O3/c1-3-5-16(25)22-6-4-7-23(9-8-22)18-20-13-11-14(24)15(26-2)10-12(13)17(19)21-18/h10-11,24H,3-9H2,1-2H3,(H2,19,20,21) |
| InChIKey |
AFBSPBSFRKIEEK-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NC=1C2=C(C=C(C(=C2)OC)O)N=C(N1)N1CCCN(C(CCC)=O)CC1 |
| 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 |
