| SpectraBase Spectrum ID |
4dlWDlAXTLY |
| Name |
bk-2C-B MS2 |
| CAS Registry Number |
807631-09-0 |
| Comments |
F: ITMS + c ESI d w Full ms2 274.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C10H12BrNO3 |
| InChI |
InChI=1S/C10H12BrNO3/c1-14-9-4-7(11)10(15-2)3-6(9)8(13)5-12/h3-4H,5,12H2,1-2H3 |
| InChIKey |
HFYJGAIOBIDRPX-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NCC(C1=C(C=C(C(=C1)OC)Br)OC)=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 |
