Spectrum CCMSLIB00000479706 for Histidine

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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
71-00-1
6274
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
DI-ESI
Commercial
Orbitrap
155.069
1
Histidine_MS2.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
positive
0.9003903867736496
0.2957410908250448
156.08
[M+H]+
16.360020502413214 ppm
0.0025534720000166544 Da