| SpectraBase Spectrum ID |
6PepBswJdiY |
| Name |
Methylpsychotrine MS2 |
| CAS Registry Number |
523-01-3 |
| Comments |
F: ITMS + c ESI d w Full ms2 [email protected] [120.00-490.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C29H38N2O4 |
| InChI |
InChI=1S/C28H36N2O4/c1-5-17-16-30-9-7-19-12-26(32-2)25(31)14-22(19)24(30)11-20(17)10-23-21-15-28(34-4)27(33-3)13-18(21)6-8-29-23/h12-15,17,20,24,31H,5-11,16H2,1-4H3 |
| InChIKey |
JHASROKRLKRHMZ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C2C3CC(CC=4C5=CC(=C(OC)C=C5CCN4)OC)C(CN3CCC2=CC1OC)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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
