Spectrum CCMSLIB00005463607 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
87-99-0
na
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?
C5H12O5
152.06847348399998
OCC(O)C(O)C(O)CO
HEBKCHPVOIAQTA-NGQZWQHPSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
152.068
-1
MSV000084072/peak/negative/GNPS00001_F8_n.mzXML
MS2
GNPS-MSMLS
mpanitchpakdi, Dorrestein, Fernando Vargas
negative
2.3613185737061184
0.6167510427775954
151.061
[M-H]-
1.3073129396945977 ppm
-1.9748399998320565E-4 Da