Spectrum PS003704 for 6-(gamma,gamma-Dimethylallylamino)purine

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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
Adenine
203.117
C10H13N5
203.11709541599998
N1=CN=C(NCC=C(C)C)C=2NC=NC12
InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
HYVABZIGRDEKCD-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
PS003704
Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
Copyright(C) 2008 Plant Science Center, RIKEN
Sawada et al Widely targeted metabolomics based on large-scale MS/MS data for elucidating metabolite accumulation patterns in plants. Plant Cell Physiol(2009) 50:37-47:doi:10.1093/pcp/pcn183
TQD, Waters
Flow-injection QqQ/MS
Q
Q
LOW-ENERGY CID
40
Q
CENTROID
[M+H]+
MS2
positive
2.143483579802798
0.8356826124333884
204.26
[M+H]+
660.6020953686816 ppm
0.1349345840000069 Da