Spectrum FiehnHILIC002069 for Loxoprofen

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

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
YMBXTVYHTMGZDW-UHFFFAOYSA-N
C15H18O3
246.125594436
O=C(O)C(C1=CC=C(C=C1)CC2C(=O)CCC2)C
InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)

Mass Spectral Metadata

NameValue
M + 0
15 eV
1.09055
positive
76
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.8776142496480563
0.7988389158763389
247.1331
[M+H]+
1.879295003329157 ppm
-4.6443599998724494E-4 Da