| SpectraBase Spectrum ID |
J6M2vABbtss |
| Name |
2C-N MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-180.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C8H7NO3 |
| InChI |
InChI=1S/C8H7NO3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h4-5H,1H2,2H3/q+1 |
| InChIKey |
ILLSZOZBLQFQND-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[C]1=C(C=C(C(=C1)N(=O)=O)OC)[CH2+] |
| 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 |
