Spectrum MetaboBASE0386 for Naringin

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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/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
DFPMSGMNTNDNHN-ZPHOTFPESA-N
C27H32O14
580.179205704
O=C1C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC4OC(C)C(O)C(O)C4O)C=C2OC(C5=CC=C(O)C=C5)C1

Mass Spectral Metadata

NameValue
License CC-BY-NC-SA 4.0 International
Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LC-ESI-TOF
impact HD
ESI
negative
MS2
5
Nitrogen
30
0.015
2014-08-14 17:27:45+02:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
393.6
G:\Sumner Lab Data Management Workspace Jun2013\Projects\NSF-JST Metabolomics Nov2011-Sep2014\UPLC-MS-MSMS\Confirmed standards 24_July_2014\MSMS\Z Lei std 24July2014 new col_1-F,8_01_616.d
1.7763215643658843
0.4639561088157251
579.1752
[M-H]-
5.646471050721949 ppm
0.0032702960000960957 Da