Spectrum FiehnHILIC002043 for Lamivudine

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
JTEGQNOMFQHVDC-NKWVEPMBSA-N
C8H11N3O3S
229.05211221199997
N=C1N=C(O)N(C=C1)C2OC(SC2)CO
InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1

Mass Spectral Metadata

NameValue
M + 0
15 eV
3.60345
positive
363
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.6964310054981597
0.20280535832764549
230.0595
[M+H]+
2.5307018399805563 ppm
-5.822119999550068E-4 Da