Spectrum MoNA003263 for Naringin

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
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
LC-ESI-QFT
Q Exactive Orbitrap Thermo Scientific
Stepped (NCE 20-30-40%)
4.19 min
Phenomenex Kinetex PFP, 100Å (2.6 µm, 2.1 mm X 150 mm)
40
120-1700
C27H32O14
West Coast Metabolomics Center, UC Davis
Liquid Chromatography (LC)
MS2
Electrospray Ionization (ESI)
negative
1.7543866057377464
0.761920421996879
579.1724
[M-H]-
0.812013832352564 ppm
4.7029600011683215E-4 Da