Spectrum RP004803 for Luteolin

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/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
IQPNAANSBPBGFQ-UHFFFAOYSA-N
C15H10O6
286.04773803999996
O=C1C=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(O)C3

Mass Spectral Metadata

NameValue
RP004803
2017.10.21
BGC, Helmholtz Zentrum Muenchen
CC BY
Copyright (C) 2017
286.0477
maXis plus UHR-ToF-MS, Bruker Daltonics
LC-ESI-QTOF
MS2
ESI
CID
40
BEH C18 1.7um, 2.1x100mm, Waters
95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min
400 uL/min
3.670 min
Water with 0.1% formic acid
ACN with 0.1% formic acid
Peaks with additional N2/O included
RMassBank 2.4.0
positive
2.37345398132888
0.5059215476898524
287.055
[M+H]+
2.466565640554966 ppm
-7.080399999495057E-4 Da