Spectrum FiehnHILIC001469 for Pseudouridine

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
PTJWIQPHWPFNBW-GBNDHIKLSA-N
C9H12N2O6
244.06953610399998
OC1=NC=C(C(O)=N1)C2OC(CO)C(O)C2O
InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1

Mass Spectral Metadata

NameValue
M + 0
6.919083
negative
HCD (NCE 20-30-40%)
1240
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)
1.3486584834056496
0.4047346071609328
243.0621
[M-H]-
0.6586958641538428 ppm
-1.6010400000254776E-4 Da