Spectrum CCMSLIB00000853138 for NCGC00169712-02_C15H20O8_4-Acetyl-2-methoxyphenyl beta-D-glucopyranoside

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
531-28-2
n/a
InChI=1S/C15H20O8/c1-7(17)8-3-4-9(10(5-8)21-2)22-15-14(20)13(19)12(18)11(6-16)23-15/h3-5,11-16,18-20H,6H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1
C15H20O8
328.1158176
O=C(C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1)C
QUOZWMJFTQUXON-UXXRCYHCSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
328.116
1
positive
G12_GG12_01_7932.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.120405562166605
0.5673068459005379
351.105
[M+Na]+
1.6735734324977396 ppm
-5.876000000171189E-4 Da