| SpectraBase Spectrum ID |
C4iq6Uqztik |
| Name |
Fendiline-M (N-dealkyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 598.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C35H39N3O6 |
| InChI |
InChI=1S/C35H39N3O6/c1-23-30(33(39)43-5)32(27-17-12-18-28(21-27)38(41)42)31(24(2)37-23)34(40)44-35(3,4)22-36-20-19-29(25-13-8-6-9-14-25)26-15-10-7-11-16-26/h6-18,21,29,32,36-37H,19-20,22H2,1-5H3 |
| InChIKey |
XUWJBJQKNANTCH-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(=C(C(OC(CNCCC(C2=CC=CC=C2)C2=CC=CC=C2)(C)C)=O)C(C2=CC=CC(N(=O)=O)=C2)C(=C1C)C(=O)OC)C |
| 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 |
ms2 |
| Technique |
ITMS |
