| SpectraBase Spectrum ID |
5bbrOsafW5L |
| Name |
RCS-04-ortho-isomer MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 322.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H23NO2 |
| InChI |
InChI=1S/C21H23NO2/c1-3-4-9-14-22-15-18(16-10-5-7-12-19(16)22)21(23)17-11-6-8-13-20(17)24-2/h5-8,10-13,15H,3-4,9,14H2,1-2H3 |
| InChIKey |
NJRFLQZVMFTRAS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=CC2=C(C=C1)C(=CN2CCCCC)C(=O)C1=CC=CC=C1OC |
| 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 |
