| SpectraBase Spectrum ID |
LTyrP7C4Crw |
| Name |
2C-P-M (O,O-bisdemethyl-N-acetyl-glucuronide) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-250.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H20NO3 |
| InChI |
InChI=1S/C13H19NO3/c1-3-4-10-7-13(17)11(8-12(10)16)5-6-14-9(2)15/h7-8,16-17H,3-6H2,1-2H3,(H,14,15)/p+1 |
| InChIKey |
HVXZAZZAZOCBFK-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C(CC[NH2+]C(=O)C)C(=CC1CCC)O |
| 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 |
