Spectrum PM000943 for N1-methyl-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
169.09
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)/t6-/m0/s1
BRMWTNUJHUMWMS-LURJTMIESA-N
C7H11N3O2
169.085126592
O=C(O)C(N)CC=1N=CN(C1)C

Mass Spectral Metadata

NameValue
PM000943
Piraud M, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QqQ
API 2000
28
ESI
positive
authentic sample
[M+H]+
MS2
1.8849244627554227
0.8186122929791315
170
[M+H]+
547.6270117646757 ppm
-0.09309659199999487 Da