| SpectraBase Spectrum ID |
BTB92bZbffT |
| Name |
Vanillin mandelic acid ME |
| Classification |
Biomolecule |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
212.068473481 u |
| Formula |
C10H12O5 |
| InChI |
InChI=1S/C10H12O5/c1-14-8-5-6(3-4-7(8)11)9(12)10(13)15-2/h3-5,9,11-12H,1-2H3 |
| InChIKey |
XPQNHALAUGGUJN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
212.201 g/mol |
| Related CAS Registry Number(s) |
55-10-7 |
| SMILES |
c1(cc(OC)c(cc1)O)C(C(=O)OC)O |
| SPLASH |
splash10-0uxu-9500000000-a0a924a5718147386f4b |
| 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. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5139 |
