Spectrum MoNA016613 for MELIBIOSE, PURE

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
AYRXSINWFIIFAE-GFRRCQKTSA-N
C12H22O11
342.116211524
O=CC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O
InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8+,9-,10-,11+,12-/m0/s1

Mass Spectral Metadata

NameValue
C12H22O11
-1
0.6391667
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
2.3127611873703486
0.7017219848548507
707.2223
[2M+Na]+
0.15122826303709105 ppm
1.0695200001009653E-4 Da