Spectrum FiehnHILIC001935 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
M + 0
5.365633
15 eV
581
positive
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)
3.0576913573687943
0.7060447081617433
306.0897
[M+H]+
0.4608191651126552 ppm
-1.410520000035831E-4 Da