| SpectraBase Spectrum ID |
6eTCeMwPQtu |
| Name |
Quinine MS2 |
| CAS Registry Number |
130-95-0 |
| Comments |
F: ITMS + c ESI d w Full ms2 325.00 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H24N2O2 |
| InChI |
InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14+,19?,20?/m1/s1 |
| InChIKey |
LOUPRKONTZGTKE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1=CC=NC=2C1=CC(=CC2)OC)C1C[C@@]2(CCN1C[C@]2(C=C)[H])[H] |
| 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 |
ms2 |
| Technique |
ITMS |
