Spectrum PR040064 for Apigenin-7-O-glucoside

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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
Natural Product
InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
KMOUJOKENFFTPU-QNDFHXLGSA-N
C21H20O10
432.10564683999996
O=C1C=C(OC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C12)C=4C=CC(O)=CC4

Mass Spectral Metadata

NameValue
PR040064
2016.01.19 (Created 2007.12.14, modified 2011.05.06)
Matsuda F, Plant Science Center, RIKEN.
CC BY-SA
432.10565
UPLC Q-Tof Premier, Waters
LC-ESI-QTOF
MS2
Ramp 5-60 eV
Continuum
600.0 L/Hr
400 C
LOW-ENERGY CID
ESI
1.0 sec/scan (m/z = 50-1000)
120 C
3.0 kV
23.0 V
CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
863.2
[2M-H]-
MassLynx 4.1
negative
1.061254824081583
0.5453770949274268