Spectrum CCMSLIB00000578117 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
5789
C10H14N2O5
242.09027154799998
O=C1NC(=O)N(C=C1C)C2OC(CO)C(O)C2
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)
IQFYYKKMVGJFEH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial standard
Q-Exactive Plus
242.09
0
IROA_PLATE_ce_neg_1_D.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
1.6643220570353339
0.5466611237327093
241.082
[M-H]-
4.129499506357531 ppm
-9.95547999991686E-4 Da