Spectrum CCMSLIB00000078222 for Ketoprofen (Actron)

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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
22071-15-4
C16H14O3
254.09429430799997
O=C(O)C(C=1C=CC=C(C1)C(=O)C=2C=CC=CC2)C
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
DKYWVDODHFEZIM-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
254.094
1
Plate3_61_88_GH1_01_16501.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
4.049047263684822
0.6682563026012269
255.102
[M+H]+
1.0360875256564623 ppm
-2.6430799997001486E-4 Da