Spectrum CCMSLIB00005723555 for Diacetoxyscirpenol

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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
2270-40-8
InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19-/m1/s1
C19H26O7
366.167853172
O=C(OCC12CCC(=CC2OC3C(O)C(OC(=O)C)C1(C)C43OC4)C)C
AUGQEEXBDZWUJY-ZLJUKNTDSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
366.168
1
DAS_MS2.mzXML
MS2
GNPS-LIBRARY
T Witte, D Overy, mpanitchpakdi
positive
2.5751110815350784
0.5196127813994974
384.201
[M+NH4]+
14.141483233990222 ppm
-0.005433171999982278 Da