Spectrum FiehnHILIC001513 for Sorbitol-6-phosphate

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
GACTWZZMVMUKNG-SLPGGIOYSA-N
C6H15O9P
262.04536869000003
O=P(O)(O)OCC(O)C(O)C(O)C(O)CO
InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1

Mass Spectral Metadata

NameValue
M + 0
negative
9.752234
HCD (NCE 20-30-40%)
1053
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)
0.9598717851968596
0.4002976260413068
261.0381
[M-H]-
0.028003574742642427 ppm
7.309999944027368E-6 Da