Spectrum VF-NPL-LTQ006526 for Salidroside

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
35
NP_C2_135_p2_E06_NEG_iTree_10.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.6388376421152471
0.9216478982128654
299.0842976472816
M-H
98.06376646696327 ppm
-0.029329332718418755 Da