Spectrum PM000935 for L-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
155.07
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
PM000935
Piraud M, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QqQ
API 2000
18
ESI
positive
authentic sample
[M+H]+
MS2
1.4011490154385111
0.7819961548980506
156
[M+H]+
496.4521025640759 ppm
-0.07744652799999585 Da