Spectrum KO001526 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
KO001526
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID N018
230.09429
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
negative
0.29082096425219284
0.2647166495877871
229
[M-H]-
379.992611353639 ppm
-0.08701830799998334 Da