Spectrum CCMSLIB00003740030 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
C6H9N3O2
155.069476528
O=C(O)C(N)CC1=CN=CN1
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)
HNDVDQJCIGZPNO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
0.0
1
f.jjwang/standard/Standard_7(2).mzML;
MS2
GNPS-LIBRARY
Jing-Jing Wang, Tie-Jun Ling, jjwang
positive
1.2614566497912572
0.391893542473919
156.077
[M+H]+
2.8609468403266987 ppm
-4.465279999976701E-4 Da