| SpectraBase Spectrum ID |
1u6uqdFPTU |
| Name |
Benzoic acid-M ME @ |
| CAS Registry Number |
1205-08-9 |
| Classification |
Biomolecule
Antilipemic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
193.073893215 u |
| Formula |
C10H11NO3 |
| InChI |
InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13) |
| InChIKey |
XTKVNQKOTKPCKM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
193.202 g/mol |
| SMILES |
COC(CNC(=O)c1ccccc1)=O |
| SPLASH |
splash10-0a4i-5900000000-41566c1273d15029ae28 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: UME |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Benfluorex-M (hippuric acid) ME
Benzoic acid-M (glycine conjugate ME)
Hippuric acid ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_97 |
