Spectrum MoNA002114 for HISTIDINE

Rating: (*)★(*)★(*)★(*)★(*)☆

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
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
HNDVDQJCIGZPNO-YFKPBYRVSA-N
C6H9N3O2
155.069476528
O=C(O)C(N)CC1=CN=CN1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
20
C6H9N3O2
155.06948
155.06948
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.5789072086736144
0.46889471207522526
156.077508544922
[M+H]+
0.3973469502027798 ppm
6.201692201557307E-5 Da