Spectrum KO009075 for Naproxen

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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
InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
CMWTZPSULFXXJA-VIFPVBQESA-N
C14H14O3
230.09429430799997
O=C(O)C(C1=CC=C2C=C(OC)C=CC2=C1)C

Mass Spectral Metadata

NameValue
KO009075
2011.05.10 (Created 2008.05.12)
Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID N018
230.09429
LC/MSD Trap XCT, Agilent Technologies
LC-ESI-IT
MS2
0.8
LC/MSD Trap Control and Data Analysis
positive
0.2038348567377281
0.051340017604741335
231
[M+H]+
442.70263203451896 ppm
-0.10226430799997388 Da