| SpectraBase Spectrum ID |
79ayTK7BpI |
| Name |
3-MeO-PCPy-M (O-demethyl-) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [55.00-260.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H23NO |
| InChI |
InChI=1S/C16H23NO/c18-15-8-6-7-14(13-15)16(9-2-1-3-10-16)17-11-4-5-12-17/h6-8,13,18H,1-5,9-12H2 |
| InChIKey |
VPHKJAUXJTUMNT-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C(C2(CCCCC2)N2CCCC2)C=CC1 |
| 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 |
