Spectrum CCMSLIB00003061495 for aflatoxin B2

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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
C17H14O6
314.079038168
O=C1OC2=C(C(OC)=CC=3OC4OCCC4C32)C5=C1C(=O)CC5
InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3
WWSYXEZEXMQWHT-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
314.079
1
f.liululu/AFT-B1,B2,G1,G2.mzXML;
MS2
GNPS-LIBRARY
TJLing, Lu-Lu Liu, Tie-Jun Ling/Yu Zhou
positive
1.9574475055271914
0.5462361268754784
315.086
[M+H]+
3.1996597754215585 ppm
-0.0010081679999984772 Da