| SpectraBase Spectrum ID |
A9X08dlMoK |
| Name |
Metofenazate MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [90.00-400.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C21H25ClN3S/c1-2-23-12-14-24(15-13-23)10-5-11-25-18-6-3-4-7-20(18)26-21-9-8-17(22)16-19(21)25/h3-4,6-9,16H,1-2,5,10-15H2/q+1 |
| InChIKey |
BGGXOOQJKRHRHE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[CH2+]CN1CCN(CC1)CCCN1C2=C(SC3=C1C=CC=C3)C=CC(=C2)Cl |
| 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 |
