Spectrum CCMSLIB00000578127 for "FRUCTOSE 1,6-BIPHOSPHATE"

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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
488-69-7
172313
C6H14O12P2
339.996049148
O=C(COP(=O)(O)O)C(O)C(O)C(O)COP(=O)(O)O
InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1
XPYBSIWDXQFNMH-UYFOZJQFSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial standard
Q-Exactive Plus
339.996
0
IROA_PLATE_ce_neg_1_E.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
1.6503972459864495
0.500752104271256
338.988
[M-H]-
2.2807533010239163 ppm
-7.731480000074953E-4 Da