Spectrum FiehnHILIC001367 for N-epsilon-Acetyllysine

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
InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
DTERQYGMUDWYAZ-ZETCQYMHSA-N
C8H16N2O3
188.116092372
O=C(O)C(N)CCCCN=C(O)C

Mass Spectral Metadata

NameValue
8.0234
M + 0
negative
HCD (NCE 20-30-40%)
1285
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)
1.087967415102008
0.3573524049688227
187.1078
[M-H]-
5.432012989353566 ppm
-0.001016372000009369 Da