| SpectraBase Spectrum ID |
8AQMTnMQgi |
| Name |
Pentamidine MS2 |
| CAS Registry Number |
100-33-4 |
| Comments |
F: ITMS + c ESI d w Full ms2 341.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H24N4O2 |
| InChI |
InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23) |
| InChIKey |
XDRYMKDFEDOLFX-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N=C(C=1C=CC(OCCCCCOC2=CC=C(C(N)=N)C=C2)=CC1)N |
| 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 |
