Spectrum PS024206 for Guanosine-3',5'-cyclic monophosphate

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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
345.047
C10H12N5O7P
345.047434354
O=C1N=C(N)NC2=C1N=CN2C3OC4COP(=O)(O)OC4C3O
InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
ZOOGRGPOEVQQDX-UUOKFMHZSA-N

Mass Spectral Metadata

NameValue
ESI
PS024206
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
60
Q
CENTROID
[M+H]+
MS2
positive
1.4831041551422373
0.7132223365818405
346.27
[M+H]+
619.7350218036903 ppm
0.21459564599996384 Da