Spectrum FiehnHILIC002202 for Ondansetron

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
FELGMEQIXOGIFQ-UHFFFAOYSA-N
C18H19N3O
293.152812228
O=C1C=2C=3C=CC=CC3N(C2CCC1CN4C=CN=C4C)C
InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3

Mass Spectral Metadata

NameValue
3.050767
M + 0
15 eV
positive
306
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)
2.2626678671445566
0.4486371492964085
294.1609
[M+H]+
0.4003659222216939 ppm
1.177720000100635E-4 Da