Spectrum CCMSLIB00000078345 for Sulfisoxazole

Rating: (*)★(*)★(*)★(*)★(*)☆

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
O=S(=O)(NC=1ON=C(C1C)C)C2=CC=C(N)C=C2
127-69-5
C11H13N3O3S
267.067762276
InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
NHUHCSRWZMLRLA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
267.068
1
[M+H]+
Plate5_61_88_GH9_01_16511.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
4.217975137982638
0.6331532737138865
268.075
2.7316086916270232 ppm
-7.322760000079143E-4 Da