Spectrum FiehnHILIC000181 for Amantadine

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
DKNWSYNQZKUICI-UHFFFAOYSA-N
C10H17N
151.136099544
NC12CC3CC(CC(C3)C1)C2
InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2

Mass Spectral Metadata

NameValue
M + 0
853
4.882867
positive
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)
1.060632084758009
0.39165894499530274
152.1434
[M+H]+
4.400742983106632 ppm
-6.695439999759856E-4 Da