Spectrum KO002915 for Glucose 6-phosphate

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/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
NBSCHQHZLSJFNQ-GASJEMHNSA-N
C6H13O9P
260.029718626
O=P(O)(O)OCC1OC(O)C(O)C(O)C1O

Mass Spectral Metadata

NameValue
KO002915
2016.01.19 (Created 2010.08.06, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID G003
260.02972
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
positive
1.9733435473274565
0.6209282953245028
261
[M+H]+
144.40086590029296 ppm
-0.037688625999976466 Da