| SpectraBase Spectrum ID |
H8PWbhFrkeh |
| Name |
2C-P-M (O,O-bisdemethyl-sulfate) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-190.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H15O2 |
| InChI |
InChI=1S/C11H14O2/c1-3-5-9-7-10(12)8(4-2)6-11(9)13/h6-7H,2-5H2,1H3,(H-,12,13)/p+1 |
| InChIKey |
ZQNOHIDSMQUCIK-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C(C(=CC1CCC)O)C[CH2+] |
| 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 |
