Spectrum FiehnHILIC001247 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
1532
negative
9.330816
HCD (NCE 20-30-40%)
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)
1.2313553162383295
0.43461439951974795
187.1191
[M-H]-
5.075655023975672 ppm
-9.497519999968063E-4 Da