| SpectraBase Spectrum ID |
HtmharsZvIl |
| Name |
2C-B-Fly-NB2EtO5Cl MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [90.00-385.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H24ClNO3 |
| InChI |
InChI=1S/C12H15O2/c1-3-9-14-12-6-4-11(5-7-12)8-10-13-2/h3-7,9H,1,8,10H2,2H3/q+1 |
| InChIKey |
ZBXZAVQTVNISSI-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C(=C)[CH+]OC1=CC=C(C=C1)CCOC |
| 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 |
