| SpectraBase Spectrum ID |
B7m7dwKavsd |
| Name |
Cumyl-BICA MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-230.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H17N2O |
| InChI |
InChI=1S/C13H16N2O/c1-2-3-8-15-9-11(13(14)16)10-6-4-5-7-12(10)15/h4-7,9H,2-3,8H2,1H3,(H2,14,16)/p+1 |
| InChIKey |
QYIOAVUOVNMRRR-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N=C(C1=CN(C2=C1C=CC=C2)CCCC)[OH2+] |
| 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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
