Spectrum CCMSLIB00000078520 for Thiamphenicol (Thiophenicol)

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
15318-45-3
C12H15Cl2NO5S
355.00479894
O=C(NC(CO)C(O)C1=CC=C(C=C1)S(=O)(=O)C)C(Cl)Cl
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
OTVAEFIXJLOWRX-NXEZZACHSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
355.005
1
Plate8_41_60_GC11_01_15764.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
3.857933084554528
0.7762732424744542
356.012
[M+H]+
2.159871015584824 ppm
-7.689400000003843E-4 Da