Spectrum FiehnHILIC001906 for Ebselen

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
DYEFUKCXAQOFHX-UHFFFAOYSA-N
C13H9NOSe
274.984935208
O=C1C=2C=CC=CC2[Se]N1C=3C=CC=CC3
InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H

Mass Spectral Metadata

NameValue
M + 0
68
15 eV
positive
35 eV
1.01515
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.7106621861595603
0.5577709509376836
275.9924
[M+H]+
1.8305141737584305 ppm
-5.052080000496062E-4 Da