Spectrum CCMSLIB00005464392 for THYMIDINE

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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
50-89-5
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
C10H14N2O5
242.090271548
O=C1N=C(O)C(=CN1C2OC(CO)C(O)C2)C
IQFYYKKMVGJFEH-XLPZGREQSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
242.09
1
MSV000084495/peak/mzXML/GNPS00006_E9_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
1.286176309855727
0.3859836051263556
265.079
[M+Na]+
3.929198465322542 ppm
-0.001041547999989234 Da