Spectrum FiehnHILIC000584 for N-Methyllysine

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
PQNASZJZHFPQLE-UHFFFAOYSA-N
C7H16N2O2
160.121177752
O=C(O)C(N)CCCCNC
InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)

Mass Spectral Metadata

NameValue
M + 0
positive
1657
HCD (NCE 20-30-40%)
9.169633
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)
1.431903712254604
0.542581510521167
161.1284
[M+H]+
4.6407213129108 ppm
-7.477519999952165E-4 Da