Spectrum MoNA016933 for XYLITOL

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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
HEBKCHPVOIAQTA-NGQZWQHPSA-N
C5H12O5
152.06847348399998
OCC(O)C(O)C(O)CO
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?

Mass Spectral Metadata

NameValue
C5H12O5
-1
0.6606
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
1.8955918140978618
0.5421386285527797
175.058
[M+Na]+
1.3908761666462182 ppm
-2.4348399998075365E-4 Da