Spectrum FiehnHILIC001945 for Fluvoxamine

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
CJOFXWAVKWHTFT-XSFVSMFZSA-N
C15H21F3N2O2
318.155512572
FC(F)(F)C1=CC=C(C=C1)C(=NOCCN)CCCCOC
InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+

Mass Spectral Metadata

NameValue
M + 0
15 eV
positive
290
3.097117
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)
2.504345967910052
0.5818559695726364
319.165
[M+H]+
4.754368430121267 ppm
0.0015174279999996543 Da