Spectrum KO001883 for Thymidine

Rating: (*)★(*)★(*)★(*)★(*)☆

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
KO001883
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID T014
242.09027
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
negative
1.0442245009394644
0.40711310650316546
241
[M-H]-
344.3798672198561 ppm
-0.08299554799998532 Da