| SpectraBase Spectrum ID |
KrjdZiWzR7L |
| Name |
Brallobarbital_neg |
| CAS Registry Number |
561-86-4 |
| Collision Gas |
N2 |
| Comments |
FTMS - p ESI d Full ms2 [email protected] [50.00-310.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C10H11BrN2O3 |
| InChI |
InChI=1S/C12H15BrN2O3/c1-5-6-12(7-8(2)13)9(16)14(3)11(18)15(4)10(12)17/h5H,1-2,6-7H2,3-4H3 |
| InChIKey |
LJXVFWSDWWSWQD-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
N |
| Ionization Type |
HESI |
| Precursor Ion |
[M-H]- |
| SMILES |
C(C=C)C1(CC(=C)Br)C(=O)N(C)C(N(C1=O)C)=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 |
