Spectrum MoNA001752 for GALACTITOL

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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/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-
FBPFZTCFMRRESA-GUCUJZIJSA-N
C6H14O6
182.07903816799998
OCC(O)C(O)C(O)C(O)CO

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
20
C6H14O6
182.07904
182.07904
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
2.619192206854668
0.9244599289882134
183.085795084635
[M+H]+
6.6257645188296985 ppm
-0.0012130833649734996 Da