| SpectraBase Spectrum ID |
2MBJbmwt9dt |
| Name |
MDPBP-M (demethylenyl-) MS3_1 |
| Comments |
F: 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 |
C10H11O3 |
| InChI |
InChI=1S/C10H10O3/c1-2-3-8(11)7-4-5-9(12)10(13)6-7/h2,4-6H,3H2,1H3,(H-,11,12,13)/p+1 |
| InChIKey |
YBOCINOVZFLUCU-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C(C=CC1O)C(C[CH+]C)=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 |
