Spectrum FiehnHILIC001186 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
negative
HCD (NCE 20-30-40%)
1020
5.69275
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)
0.8267212622954422
0.23444036890851636
304.0744
[M-H]-
0.6414614317447737 ppm
-1.9505199998093303E-4 Da