| SpectraBase Spectrum ID |
7pA1QqoSzQ |
| Name |
RCS-04-M (pentanoic acid-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-240.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H12NO2 |
| InChI |
InChI=1S/C14H12NO2/c16-9-5-1-4-8-15-10-12(11-17)13-6-2-3-7-14(13)15/h2-3,5-7,10H,1,4,8H2/q+1 |
| InChIKey |
SWIBKECXXNNVGO-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C12=CC=CC=C2N(C=C1[C+]=O)CCCC=C=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
