Spectrum FiehnHILIC002260 for Pilocarpine

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
QCHFTSOMWOSFHM-WPRPVWTQSA-N
C11H16N2O2
208.121177752
O=C1OCC(CC2=CN=CN2C)C1CC
InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1

Mass Spectral Metadata

NameValue
217
M + 0
15 eV
positive
2.367167
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)
2.578915918588525
0.5027225802892286
209.1285
[M+H]+
3.0973874913839903 ppm
-6.477519999918968E-4 Da