Spectrum NGA00100 for INO

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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
Carbohydrates
InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
UGQMRVRMYYASKQ-KQYNXXCUSA-N
C10H12N4O5
268.080769484
OC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O

Mass Spectral Metadata

NameValue
NGA00100
2018.04.04
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
268.2309
Agilent 6410 Triple Quadrupole LC/MS system
LC-ESI-QQQ
MS2
positive
2.621486952172173
0.8144107119383868
[M+H]+
269.088739484
0.0 ppm
0.0 Da