SpectraBase Spectrum ID |
LhXuehCnEOb |
Name |
Glisoxepide_neg |
CAS Registry Number |
25046-79-1 |
Collision Gas |
N2 |
Comments |
FTMS - p ESI d Full ms2 [email protected] [50.00-475.00] |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
Formula |
C20H27N5O5S |
InChI |
InChI=1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27) |
InChIKey |
ZKUDBRCEOBOWLF-UHFFFAOYSA-N |
Inlet Type |
UHPLC |
Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
Ion Polarity |
N |
Ionization Type |
HESI |
Precursor Ion |
[M-H]- |
SMILES |
N(N1CCCCCC1)C(NS(C1=CC=C(CCNC(C=2C=C(ON2)C)=O)C=C1)(=O)=O)=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 |