Spectrum FiehnHILIC002468 for 2-Chloroadenosine

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
BIXYYZIIJIXVFW-UUOKFMHZSA-N
C10H12ClN5O4
301.057781544
ClC=1N=C(N)C=2N=CN(C2N1)C3OC(CO)C(O)C3O
InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1

Mass Spectral Metadata

NameValue
M + 0
15 eV
negative
35 eV
386
2.8236
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.3996070517120327
0.8696247558846671
300.049
[M-H]-
5.017660448972535 ppm
-0.00150554400005376 Da