Spectrum FiehnHILIC002996 for Sucrose

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
CZMRCDWAGMRECN-UGDNZRGBSA-N
C12H22O11
342.116211524
OCC1OC(OC2(OC(CO)C(O)C2O)CO)C(O)C(O)C1O
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1

Mass Spectral Metadata

NameValue
M + 0
15 eV
8.038683
negative
1043
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.4958063486306283
0.9730431290466734
341.1072
[M-H]-
5.087913711659076 ppm
-0.0017355240000256345 Da