| SpectraBase Spectrum ID |
6VNugUigq0 |
| Name |
Bromantane MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [70.00-320.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H20BrN |
| InChI |
InChI=1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,18H,5-10H2/t11-,12+,13?,16- |
| InChIKey |
YWNJEJYEBUXXLK-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C1=CC=C(C=C1)Br)[C@]12C[C@]3(CC(C[C@](C3)(C1)[H])C2)[H] |
| 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 |
