Spectrum FiehnHILIC001940 for Flumazenil

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
OFBIFZUFASYYRE-UHFFFAOYSA-N
C15H14FN3O3
303.101919528
O=C(OCC)C=1N=CN2C3=CC=C(F)C=C3C(=O)N(C)CC12
InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3

Mass Spectral Metadata

NameValue
M + 0
15 eV
positive
74
1.083217
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)
3.0916318586946283
0.5197736503430535
304.1103
[M+H]+
1.3497471147759967 ppm
4.104719999986628E-4 Da