Spectrum KO003482 for Mannosamine

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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/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3+,4-,5-,6?/m1/s1
MSWZFWKMSRAUBD-CBPJZXOFSA-N
C6H13NO5
179.07937251599998
OCC1OC(O)C(N)C(O)C1O

Mass Spectral Metadata

NameValue
KO003482
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
CC BY-NC-SA
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
KEIO_ID M081
179.07937
API3000, Applied Biosystems
LC-ESI-QQ
MS2
10 V
positive
1.7887088423628161
0.47556864493847323
180
[M+H]+
485.2361999998796 ppm
-0.08734251599997833 Da