Spectrum PM000953 for Ne-acetyl-L-lysine

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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
188.12
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
PM000953
Piraud M, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QqQ
API 2000
30
ESI
positive
authentic sample
[M+H]+
MS2
1.2920159784008465
0.8027746633896629
189
[M+H]+
656.4146666666528 ppm
-0.12406237199999737 Da