Spectrum FiehnHILIC000405 for Guanine

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
UYTPUPDQBNUYGX-UHFFFAOYSA-N
C5H5N5O
151.04940978000002
N=C1N=C(O)C=2N=CNC2N1
InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

Mass Spectral Metadata

NameValue
M + 0
6.403183
positive
HCD (NCE 20-30-40%)
1151
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)
0.39504990654699595
0.17979496070717096
152.0567
[M+H]+
4.470569202231123 ppm
-6.797800000128973E-4 Da