| SpectraBase Spectrum ID |
HUNyWz2iDgA |
| Name |
MDPBP-M (demethylenyl-oxo-) isomer-1 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-285.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H17NO4 |
| InChI |
InChI=1S/C14H17NO4/c1-2-10(15-7-3-4-13(15)18)14(19)9-5-6-11(16)12(17)8-9/h5-6,8,10,16-17H,2-4,7H2,1H3 |
| InChIKey |
GVSZGMSYDCGKNU-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OC=1C=C(C=CC1O)C(C(CC)N1C(CCC1)=O)=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 |
