Spectrum KO000804 for Glucose

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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/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
WQZGKKKJIJFFOK-GASJEMHNSA-N
C6H12O6
180.06338810399998
OCC1OC(O)C(O)C(O)C1O

Mass Spectral Metadata

NameValue
KO000804
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 G002
180.06339
API3000, Applied Biosystems
LC-ESI-QQ
MS2
10 V
negative
1.934770100094831
0.697820807166764
179
[M-H]-
313.4754413407442 ppm
-0.056112103999993224 Da