Spectrum FiehnHILIC000415 for Homoarginine

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
QUOGESRFPZDMMT-YFKPBYRVSA-N
C7H16N4O2
188.127325752
O=C(O)C(N)CCCCNC(=N)N
InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1

Mass Spectral Metadata

NameValue
M + 0
positive
HCD (NCE 20-30-40%)
1681
9.337383
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)
1.8321190509891605
0.6466576386959187
189.1346
[M+H]+
3.6786077216141058 ppm
-6.957519999843953E-4 Da