| SpectraBase Spectrum ID |
XKTU9rBCsP |
| Name |
ADB-CHMICA-M (HOOC-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-255.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H18NO |
| InChI |
InChI=1S/C16H18NO/c18-12-14-11-17(10-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h4-5,8-9,11,13H,1-3,6-7,10H2/q+1 |
| InChIKey |
WKKANUSFIZWRSA-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[C+](C=1C2=C(N(C1)CC1CCCCC1)C=CC=C2)=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 |
