| SpectraBase Spectrum ID |
AuWxxDzEYaM |
| Name |
Mandelic acid_neg ## |
| CAS Registry Number |
90-64-2 |
| Collision Gas |
N2 |
| Comments |
FTMS - p ESI d Full ms2 [email protected] [50.00-170.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C8H8O3 |
| InChI |
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11) |
| InChIKey |
IWYDHOAUDWTVEP-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
N |
| Ionization Type |
HESI |
| Precursor Ion |
[M-H]- |
| SMILES |
OC(C(=O)O)C=1C=CC=CC1 |
| 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 |
