| SpectraBase Spectrum ID |
APmqg1083Ev |
| Name |
Thiamphenicol |
| CAS Registry Number |
15318-45-3 |
| Collision Energy |
10 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
355.004799156 u |
| Formula |
C12H15Cl2NO5S |
| InChI |
InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1 |
| InChIKey |
OTVAEFIXJLOWRX-NXEZZACHSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
356.220 g/mol |
| Nominal Mass |
355 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
356.012 |
| SMILES |
N([C@](CO)([C@](O)(C1=CC=C(S(=O)(=O)C)C=C1)[H])[H])C(=O)C(Cl)Cl |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_940.1 |
