Spectrum FiehnHILIC001817 for Carnosine

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
CQOVPNPJLQNMDC-ZETCQYMHSA-N
C9H14N4O3
226.106590308
O=C(O)C(N=C(O)CCN)CC1=CN=CN1
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1

Mass Spectral Metadata

NameValue
M + 0
15 eV
positive
9.177134
1044
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.3514369471548118
0.4874278454335918
227.1141
[M+H]+
2.0267698041942497 ppm
-4.603079999867532E-4 Da