| SpectraBase Spectrum ID |
Itp8PWp6bGT |
| Name |
4-MEC-M (carboxy-dihydro-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 224.20 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H17NO3 |
| InChI |
InChI=1S/C12H17NO3/c1-3-13-8(2)11(14)9-4-6-10(7-5-9)12(15)16/h4-8,11,13-14H,3H2,1-2H3,(H,15,16) |
| InChIKey |
JJVRQGATELIPIW-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1=CC=C(C(C(NCC)C)O)C=C1)=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 |
ms2 |
| Technique |
ITMS |
