| SpectraBase Spectrum ID |
2PjFxhS8nX4 |
| Name |
Gliquidone-M/artifact (HO- -H20) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 526.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C27H31N3O6S |
| InChI |
InChI=1S/C27H31N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h5,7,9-14,17,19H,4,6,8,15-16H2,1-3H3,(H2,28,29,33) |
| InChIKey |
BNTPVCRVKKMOKX-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(S(C1=CC=C(CCN2C(C(C=3C(=CC(=CC3)OC)C2=O)(C)C)=O)C=C1)(=O)=O)C(NC1CCCC=C1)=O |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
