Spectrum FiehnHILIC002834 for N,N-Dimethylarginine

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
YDGMGEXADBMOMJ-LURJTMIESA-N
C8H18N4O2
202.142975816
O=C(O)C(N)CCCNC(=N)N(C)C
InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1

Mass Spectral Metadata

NameValue
8.559517
M + 0
15 eV
negative
1141
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)
0.5581495587073054
0.34679781953387984
201.1338
[M-H]-
9.445533271836984 ppm
-0.0018998159999910058 Da