Spectrum FiehnHILIC002311 for Ropivacaine

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
ZKMNUMMKYBVTFN-UHFFFAOYSA-N
C17H26N2O
274.204513452
OC(=NC=1C(=CC=CC1C)C)C2N(CCC)CCCC2
InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)

Mass Spectral Metadata

NameValue
M + 0
251
15 eV
positive
35 eV
2.567417
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.815704045292906
0.36334338943845584
275.2121
[M+H]+
1.3932962976341596 ppm
-3.8345199999412216E-4 Da