| SpectraBase Spectrum ID |
E3TKqpMQAaU |
| Name |
ADBICA-M (N-dealkyl-) MS3_1 |
| Comments |
T: 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 |
C14H17N2O |
| InChI |
InChI=1S/C14H16N2O/c1-14(2,3)9-16-13(17)11-8-15-12-7-5-4-6-10(11)12/h4-9H,1-3H3,(H-,15,16,17)/p+1 |
| InChIKey |
OZXCCGLUUDDAIQ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C=C(C(=O)N[CH+]C(C)(C)C)C2=C1C=CC=C2 |
| 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 |
