Spectrum KO003144 for Homoarginine

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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
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
QUOGESRFPZDMMT-YFKPBYRVSA-N
C7H16N4O2
188.127325752
O=C(O)C(N)CCCCNC(=N)N

Mass Spectral Metadata

NameValue
KO003144
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID H073
188.12733
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
positive
1.9168440038575167
0.5635791719093822
189
[M+H]+
715.850539682489 ppm
-0.13529575199999044 Da