| SpectraBase Spectrum ID |
2dafTCE5ZYY |
| Name |
RCS-04-ortho-isomer-M (HO-) isomer 1 MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-200.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H16N |
| InChI |
InChI=1S/C13H15N/c1-2-3-6-10-14-11-9-12-7-4-5-8-13(12)14/h3-9,11H,2,10H2,1H3/p+1/b6-3+ |
| InChIKey |
YNRUZGKRGKGXTB-ZZXKWVIFSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+]1(C=CC=2C=CC=CC12)C\C=C\CC |
| 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 |
ms3 |
| Technique |
ITMS |
