Spectrum VF-NPL-LTQ003808 for Luteolin

Rating: (*)★(*)★(*)★(*)☆( )☆
  • 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/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
C15H10O6
286.04773804
O=C1C=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(O)C3
IQPNAANSBPBGFQ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_C4_31_p15_C03_iTree_NEG_29.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.0
NaN
267.0563329294187
M-H
67342.08065132983 ppm
-17.984129110581307 Da