Spectrum EMBL-MCF_spec394219 for Guanosine 5_-diphosphate

Rating: (*)★(*)★(*)★(*)★(*)★

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
443.0243303
8977
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
QGWNDRXFNXRZMB-UUOKFMHZSA-N
C10H15N5O11P2
443.02432956
O=P(O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(O)=NC(=N)NC32)C(O)C1O

Mass Spectral Metadata

NameValue
Std_Mix_marco_Phosp_Meta_Conc_220517_Neg.mzML
45: Guanosine 5_-diphosphate
6.5508701
spec394219
4762
30.0 eV
Luna Amino (150x 2 mm; 3uM)
HILIC_BA2
7.5 mM Ammonium acetate+0.1% NH4OH (A), ACN (B)
30.0
Thermo Q-Exactive Plus
LC-ESI-QFT
MS2
Prasad Phapale
negative
1.9999369643583929
0.5880096742227378
442.01604063921
2.291592831198573 ppm
-0.0010129207900035908 Da