Spectrum VF-NPL-LTQ007288 for MORIN

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  • 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/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
C15H10O7
302.04265266
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3O
YXOLAZRVSSWPPT-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
NP_C4_42_p9_A02_iTree_POS_161.RAW
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.603102558292375
0.729603416431778
303.0896500807542
M-H
6777.7748933587145 ppm
2.054273420754214 Da