Spectrum FiehnHILIC002697 for Fenoldopam

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
TVURRHSHRRELCG-UHFFFAOYSA-N
C16H16ClNO3
305.081871052
ClC=1C(O)=C(O)C=C2C1CCNCC2C3=CC=C(O)C=C3
InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2

Mass Spectral Metadata

NameValue
MS2
809
M + 0
15 eV
negative
35 eV
5.350117
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.7947882785934877
0.29349096935869173
304.0724
[M-H]-
7.218846564142233 ppm
-0.0021950519999904827 Da