Spectrum CCMSLIB00005436086 for Salidroside

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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/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
C14H20O7
300.12090298
OC1=CC=C(C=C1)CCOC2OC(CO)C(O)C(O)C2O
ILRCGYURZSFMEG-RKQHYHRCSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
Ion Trap
323.111
1
f.zhangyi/pure compounds/Salidroside_pos-40fold_190528113832.mzXML;
MS2
GNPS-LIBRARY
William Gerwick, Yi Zhang, zhangyi
positive
1.9391371495229668
0.9325278497401149
323.08
[M+Na]+
94.93927200699467 ppm
-0.030672980000019834 Da