| SpectraBase Spectrum ID |
6pi1d8Z5H6 |
| Name |
Bromadiolone artifact (-H2O) isotope MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 511.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C30H22BrO3 |
| InChI |
InChI=1S/C30H21BrO3/c31-24-17-15-22(16-18-24)21-13-10-20(11-14-21)12-19-25(23-6-2-1-3-7-23)28-29(32)26-8-4-5-9-27(26)34-30(28)33/h1-18,25H,19H2/p+1 |
| InChIKey |
DHZPKHDVHAXQPQ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(C(C[CH+]C2=CC=C(C=C2)C2=CC=C(C=C2)Br)C2=CC=CC=C2)C(C2=C(O1)C=CC=C2)=O |
| 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 |
