| SpectraBase Spectrum ID |
7xvWKrMCH6s |
| Name |
2C-B-fly MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-200.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H12O2 |
| InChI |
InChI=1S/C14H21NO2/c15-9-12(16)10-17-14-8-4-3-7-13(14)11-5-1-2-6-11/h3-4,7-8,11-12,16H,1-2,5-6,9-10,15H2/p+1 |
| InChIKey |
AJLTXXSGSRVTMN-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]CC(COC1=CC=CC=C1C1CCCC1)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 |
ms3 |
| Technique |
ITMS |
