| SpectraBase Spectrum ID |
ATxCTppvRQ |
| Name |
S-107-M (di-HO-) isomer 1 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 242.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H15NO3S |
| InChI |
InChI=1S/C11H15NO3S/c1-12-6-7-5-8(15-2)3-4-9(7)16-11(14)10(12)13/h3-5,10-11,13-14H,6H2,1-2H3 |
| InChIKey |
BWENMMCUOQNVQE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1C(SC2=CC=C(C=C2CN1C)OC)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 |
