Spectrum FiehnHILIC001582 for Xylitol

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

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
M + 0
negative
HCD (NCE 20-30-40%)
6.918684
1249
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.1202438427546877
0.6586907846442019
151.0602
[M-H]-
6.603221761796562 ppm
-9.974839999813412E-4 Da