| SpectraBase Spectrum ID |
3q15N0IadJi |
| Name |
Glisoxepide-M (HO-ring) isomer-1_neg |
| Collision Gas |
N2 |
| Comments |
FTMS - p ESI d Full ms2 [email protected] [50.00-490.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H27N5O6S |
| InChI |
InChI=1S/C20H27N5O6S/c1-14-12-17(23-31-14)19(27)21-9-8-15-6-7-16(13-18(15)26)32(29,30)24-20(28)22-25-10-4-2-3-5-11-25/h6-7,12-13,26H,2-5,8-11H2,1H3,(H,21,27)(H2,22,24,28) |
| InChIKey |
DLQATWMEGBJWGW-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(C=C1)CCNC(C=1C=C(ON1)C)=O)O)(=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 |
