Spectrum FiehnHILIC001197 for Galactose

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
WQZGKKKJIJFFOK-FPRJBGLDSA-N
C6H12O6
180.06338810399998
OCC1OC(O)C(O)C(O)C1O
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

Mass Spectral Metadata

NameValue
M + 0
negative
HCD (NCE 20-30-40%)
7.8282
1311
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)
1.6931282844235285
0.5750257676940708
179.0554
[M-H]-
3.9770037653237242 ppm
-7.121040000015455E-4 Da