| SpectraBase Spectrum ID |
I3PtAigykOZ |
| Name |
Cumyl-PICA-M (di-HO-) isomer 3 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-245.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H19N2O |
| InChI |
InChI=1S/C14H18N2O/c1-2-3-6-9-16-10-12(14(15)17)11-7-4-5-8-13(11)16/h4-5,7-8,10H,2-3,6,9H2,1H3,(H2,15,17)/p+1 |
| InChIKey |
XCGSHXMBEIMDAI-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]C(C=1C2=C(N(C1)CCCCC)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 |
