| SpectraBase Spectrum ID |
L1NXs7CtePP |
| Name |
Acrosoxacin MS2 |
| CAS Registry Number |
40034-42-2 |
| Comments |
F: ITMS + c ESI d w Full ms2 295.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H14N2O3 |
| InChI |
InChI=1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22) |
| InChIKey |
XBPZXDSZHPDXQU-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1=CN(C=2C(=CC=C(C3=CC=NC=C3)C2)C1=O)CC)=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 |
