| SpectraBase Spectrum ID |
3KBOCl1Y5sY |
| Name |
MDPV-M (dihydro-oxo-) ## |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-315.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H21NO4 |
| InChI |
InChI=1S/C16H21NO4/c1-2-4-12(17-8-3-5-15(17)18)16(19)11-6-7-13-14(9-11)21-10-20-13/h6-7,9,12,16,19H,2-5,8,10H2,1H3 |
| InChIKey |
UAENKHNTDXVGCN-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OC(C1=CC2=C(OCO2)C=C1)C(CCC)N1C(CCC1)=O |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
