Spectrum VF-NPL-LTQ003623 for sweroside

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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/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1
C16H22O9
358.126382284
O=C1OCCC2C1=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C
VSJGJMKGNMDJCI-ZASXJUAOSA-N

Mass Spectral Metadata

NameValue
ESI Ion Max
35
MX_C3_39_p13_H05_iTree_NEG_11.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
0.0
NaN
357.0892860496437
M-H
83.50918249658079 ppm
-0.02982023435629344 Da