Spectrum KO008992 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
KO008992
2011.12.05 (Created 2008.05.12)
Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
240.12224
LC/MSD Trap XCT, Agilent Technologies
LC-ESI-IT
MS3
0.50/0.55
LC/MSD Trap Control and Data Analysis
positive
241/156
[M+H]+
0.32957761718694384
0.11886999847590127
156.0
[M+H]+
545706.4767435895 ppm
-85.13021037199996 Da