Spectrum CCMSLIB00005721033 for Sedoheptulose 7-phosphate(S7P)

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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
C7H15O10P
290.04028330999995
O=C(CO)C(O)C(O)C(O)C(O)COP(=O)(O)O
InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)
JDTUMPKOJBQPKX-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Lysate
Orbitrap
290.04
1
t.381cb7c8de864c31bc027aa65a6164c5/spectra/specs_ms.mgf;
MS2
GNPS-LIBRARY
amelnik, Amelnik, PDorrestein
negative
0.848239412369135
0.32141757696972717
289.034
[M-H]-
3.4345094349880143 ppm
9.926900000323258E-4 Da