Spectrum FiehnHILIC002843 for N-Acetylcytidine

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
NIDVTARKFBZMOT-PEBGCTIMSA-N
C11H15N3O6
285.09608519999995
O=C1N=C(N=C(O)C)C=CN1C2OC(CO)C(O)C2O
InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9-,10-/m1/s1

Mass Spectral Metadata

NameValue
M + 0
15 eV
4.80465
negative
35 eV
724
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.2595398188828462
0.5252689027627754
284.0892
[M-H]-
1.3756242759241644 ppm
3.908000000478751E-4 Da