| SpectraBase Spectrum ID |
8nKPNbdTfL2 |
| Name |
Thiopental-M (HOOC-)_neg |
| Collision Gas |
N2 |
| Comments |
FTMS - p ESI d Full ms2 [email protected] [50.00-295.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H16N2O4S |
| InChI |
InChI=1S/C11H16N2O4S/c1-3-11(6(2)4-5-7(14)15)8(16)12-10(18)13-9(11)17/h6H,3-5H2,1-2H3,(H,14,15)(H2,12,13,16,17,18) |
| InChIKey |
VLULJLOWNCRWRJ-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
N |
| Ionization Type |
HESI |
| Precursor Ion |
[M-H]- |
| SMILES |
N1C(C(C(CCC(=O)O)C)(C(NC1=S)=O)CC)=O |
| 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 |
