Spectrum FiehnHILIC002549 for 5-Hydroxymethylcytidine

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  • 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
NFEXJLMYXXIWPI-JXOAFFINSA-N
C10H15N3O6
273.09608519999995
N=C1N=C(O)N(C=C1CO)C2OC(CO)C(O)C2O
InChI=1S/C10H15N3O6/c11-8-4(2-14)1-13(10(18)12-8)9-7(17)6(16)5(3-15)19-9/h1,5-7,9,14-17H,2-3H2,(H2,11,12,18)/t5-,6-,7-,9-/m1/s1

Mass Spectral Metadata

NameValue
M + 0
15 eV
negative
1012
35 eV
7.3213
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.3058944005182342
0.9420036877761612
272.0884
[M-H]-
1.50392298965587 ppm
-4.0919999997868217E-4 Da