Spectrum VF-NPL-LTQ003806 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_POS_27.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.0219850094062293
0.5251964022605953
365.10366507137525
M-H
219288.96007034992 ppm
80.06320303137522 Da