Spectrum KO003486 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
179.079372516
OCC1OC(O)C(N)C(O)C1O

Mass Spectral Metadata

NameValue
KO003486
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID M081
179.07937
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
2.510346642871756
0.7455081969682004
180
[M+H]+
485.2362000000375 ppm
-0.08734251600000675 Da