Spectrum PM002316 for g-Aminobutyryl 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
240.12
InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1
CCLQKVKJOGVQLU-QMMMGPOBSA-N
C10H16N4O3
240.122240372
O=C(O)C(N=C(O)CCCN)CC1=CN=CN1

Mass Spectral Metadata

NameValue
PM002316
Bourcier S, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
CH3CN/H2O/CH3COOH
QqQ
API 3000
10->40V
ESI
positive
authentic sample
[M+H]+
MS2
1.0986122886681096
0.9999999999999998
241
[M+H]+
540.2919999999726 ppm
-0.1302103719999934 Da