Spectrum FiehnHILIC000745 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-HNNXBMFYSA-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)/t15-/m0/s1

Mass Spectral Metadata

NameValue
M + 0
345
positive
2.417117
HCD (NCE 20-30-40%)
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)
0.13851021104987507
0.06303871369297916
275.2113
[M+H]+
4.300157733424025 ppm
-0.0011834520000206794 Da