Spectrum KO003069 for Homocarnosine

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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/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1
CCLQKVKJOGVQLU-QMMMGPOBSA-N
C10H16N4O3
240.12224037199996
O=C(O)C(N=C(O)CCCN)CC1=CN=CN1

Mass Spectral Metadata

NameValue
KO003069
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 H013
240.12224
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
positive
1.2980209137087593
0.3301318611144443
241
[M+H]+
540.2919999998547 ppm
-0.130210371999965 Da