Spectrum MoNA024054 for PHOSPHORIBOSYL PYROPHOSPHATE

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
InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
PQGCEDQWHSBAJP-TXICZTDVSA-N
C5H13O14P3
389.951814986
O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O

Mass Spectral Metadata

NameValue
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
Flow Injection
ESI
MS2
HCD (NCE 40%)
C5H13O14P3
390.0
389.95181
IROA_DB_for_mona_filtered_exported_addedInfo.msp
positive
3.017505607066878
0.6946686865589807
390.95911
[M+H]+
1.726487457930362 ppm
-6.749859999786167E-4 Da