Spectrum NGA00980 for Gal(alpha1-6)Glc(alpha1-2beta)Fruf

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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
Carbohydrates
InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6+,7-,8+,9-,10+,11+,12+,13-,14-,15-,16+,17-,18-/m1/s1
MUPFEKGTMRGPLJ-OARNWLFOSA-N
C18H32O16
504.169034944
OCC1OC(OCC2OC(OC3(OC(CO)C(O)C3O)CO)C(O)C(O)C2O)C(O)C(O)C1O

Mass Spectral Metadata

NameValue
NGA00980
2018.04.04
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
504.4461
Agilent 6410 Triple Quadrupole LC/MS system
LC-ESI-QQQ
MS2
positive
2.367449851807316
0.8538770401889315
[M+Na]+
527.1588049439999
0.0 ppm
0.0 Da