| SpectraBase Spectrum ID |
Csu0KxHdTm7 |
| Name |
Benzbromarone isotope MS2 |
| CAS Registry Number |
3562-84-3 |
| Comments |
F: ITMS + c ESI d w Full ms2 425.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H12Br2O3 |
| InChI |
InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3/i18-1,19+1 |
| InChIKey |
WHQCHUCQKNIQEC-QKKUQPBNSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(C=C(C=C1[79Br])C(C1=C(OC=2C1=CC=CC2)CC)=O)[81Br] |
| 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 |
ms2 |
| Technique |
ITMS |
