Spectrum FiehnHILIC000815 for Trileptal

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
CTRLABGOLIVAIY-UHFFFAOYSA-N
C15H12N2O2
252.089877624
O=C1C=2C=CC=CC2N(C(=N)O)C=3C=CC=CC3C1
InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)

Mass Spectral Metadata

NameValue
M + 0
1.127117
positive
HCD (NCE 20-30-40%)
113
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.5802698225643452
0.5699618590700157
253.0966
[M+H]+
4.929438009049604 ppm
-0.001247624000001224 Da