Spectrum KO001458 for Mannose 1-phosphate

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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
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1
HXXFSFRBOHSIMQ-RWOPYEJCSA-N
C6H13O9P
260.029718626
O=P(O)(O)OC1OC(CO)C(O)C(O)C1O

Mass Spectral Metadata

NameValue
KO001458
2016.01.19 (Created 2010.02.10, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID M080
260.02972
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
negative
1.1772541111539532
0.3613318689043065
259
[M-H]-
86.65106563701129 ppm
-0.02244262599998592 Da