| SpectraBase Spectrum ID |
L4jFRDdxTeh |
| Name |
S-107-M (N-oxide) |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-250.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H16NO2S |
| InChI |
InChI=1S/C11H16NO2S/c1-12(13)5-6-15-11-4-3-10(14-2)7-9(11)8-12/h3-4,7,13H,5-6,8H2,1-2H3/q+1 |
| InChIKey |
DTYOVKNHKXDAAV-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
O[N+]1(CC2=CC(=CC=C2SCC1)OC)C |
| 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 |
