Spectrum CCMSLIB00000578286 for L-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
71-00-1
6274
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 standard
Q-Exactive Plus
155.069
0
IROA_PLATE_neg_4_E.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
2.004291662641551
0.5683740073229507
154.062
[M-H]-
1.3016058469543612 ppm
-2.005279999934828E-4 Da