Spectrum KO009274 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
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
IQFYYKKMVGJFEH-XLPZGREQSA-N
C10H14N2O5
242.09027154799998
O=C1N=C(O)C(=CN1C2OC(CO)C(O)C2)C

Mass Spectral Metadata

NameValue
LC-ESI-IT
MS3
0.60/0.45
KO009274
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
242.09027
LC/MSD Trap XCT, Agilent Technologies
LC/MSD Trap Control and Data Analysis
positive
243/117
[M+H]+
1.4388860636793916
0.5790503493570474
117.0
[M+H]+
1077762.7482735042 ppm
-126.09824154799998 Da