Spectrum FiehnHILIC000141 for 6-Methyladenosine

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
VQAYFKKCNSOZKM-IOSLPCCCSA-N
C11H15N5O4
281.11240396
OCC1OC(N2C=NC=3C(=NC=NC32)NC)C(O)C1O
InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1

Mass Spectral Metadata

NameValue
M + 0
3.3539
568
positive
HCD (NCE 20-30-40%)
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)
0.6761449583691894
0.2721007481012917
282.1194
[M+H]+
3.452297147981548 ppm
-9.739600000102655E-4 Da