| SpectraBase Spectrum ID |
8tYBF5DGQTp |
| Name |
RCS-04-M (pentanoic acid-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 352.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H21NO4 |
| InChI |
InChI=1S/C21H21NO4/c1-26-16-11-9-15(10-12-16)21(25)18-14-22(13-5-4-8-20(23)24)19-7-3-2-6-17(18)19/h2-3,6-7,9-12,14H,4-5,8,13H2,1H3,(H,23,24) |
| InChIKey |
CJXFWFGLGOBGBR-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CCCCN1C2=CC=CC=C2C(=C1)C(=O)C=1C=CC(=CC1)OC)=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 |
ms2 |
| Technique |
ITMS |
