| SpectraBase Spectrum ID |
BskTG0VCtVL |
| Name |
Bromadiolone artifact (-H2O)_Br81 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-540.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C30H21BrO3 |
| 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 |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| 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 MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
