Spectrum MoNA001672 for 1-Methyl 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
InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)
BRMWTNUJHUMWMS-UHFFFAOYSA-N
C7H11N3O2
169.085126592
O=C(O)C(N)CC=1N=CN(C1)C

Mass Spectral Metadata

NameValue
1-Methyl Histidine Fragmentation Pos (2).1.1. File:"1-Methyl Histidine Fragmentation Pos.wiff", NativeID:"sample=2 period=1 cycle=1 experiment=1"
0.005
170.0
Liquid Chromatography (LC)
MS2
Electrospray Ionization (ESI)
Biswapriya B. Misra
positive
4.368756746755869
0.9571480008739063